USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 821 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 19 HIS : no HE2:sc= -0.0188 K(o=-1.3,f=-6.2!) USER MOD Set 1.2: A 76 GLN : amide:sc= -1.25 K(o=-1.3,f=-5.3!) USER MOD Set 1.3: A 82 TYR OH : rot 7:sc= -0.0374 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 63:sc= 0.896 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0928 X(o=-0.093,f=-0.006) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.0477 X(o=-0.048,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0374 USER MOD Single : A 42 GLN : amide:sc=-0.00678 X(o=-0.0068,f=-0.33) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.317) USER MOD Single : A 53 GLN : amide:sc= -0.0334 X(o=-0.033,f=-0.016) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.155 F(o=-0.71,f=-0.16) USER MOD Single : A 58 MET CE :methyl -155:sc= -0.858 (180deg=-1.28) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0212 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.863 USER MOD Single : A 65 CYS SG : rot 129:sc= -4.52! USER MOD Single : A 66 THR OG1 : rot 32:sc= 0.0672 USER MOD Single : A 68 GLN : amide:sc= -0.182 K(o=-0.18,f=-0.72) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -162:sc= -3.66! (180deg=-5.4!) USER MOD Single : A 72 TYR OH : rot 28:sc= 0.511 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -158:sc= -0.0539 (180deg=-0.303) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.768 K(o=-0.77,f=-2.3!) USER MOD Single : A 88 GLN : amide:sc= -0.0628 K(o=-0.063,f=-0.73) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 48:sc= 0.291 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.461 -19.489 5.409 1.00 0.00 N ATOM 2 CA GLY A 1 -14.416 -20.437 4.934 1.00 0.00 C ATOM 3 C GLY A 1 -13.126 -20.322 5.721 1.00 0.00 C ATOM 4 O GLY A 1 -12.619 -21.315 6.244 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.323 -19.608 4.839 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.677 -19.683 6.408 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.114 -18.513 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.794 -21.457 5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.212 -20.250 3.880 1.00 0.00 H new ATOM 10 N SER A 2 -12.593 -19.107 5.806 1.00 0.00 N ATOM 11 CA SER A 2 -11.353 -18.865 6.535 1.00 0.00 C ATOM 12 C SER A 2 -10.205 -19.675 5.941 1.00 0.00 C ATOM 13 O SER A 2 -9.287 -20.083 6.651 1.00 0.00 O ATOM 14 CB SER A 2 -11.529 -19.218 8.014 1.00 0.00 C ATOM 15 OG SER A 2 -12.602 -18.491 8.588 1.00 0.00 O ATOM 0 H SER A 2 -13.000 -18.275 5.379 1.00 0.00 H new ATOM 0 HA SER A 2 -11.110 -17.806 6.447 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.714 -20.287 8.116 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.608 -19.001 8.555 1.00 0.00 H new ATOM 0 HG SER A 2 -12.695 -18.736 9.532 1.00 0.00 H new ATOM 21 N SER A 3 -10.264 -19.903 4.632 1.00 0.00 N ATOM 22 CA SER A 3 -9.229 -20.662 3.942 1.00 0.00 C ATOM 23 C SER A 3 -8.122 -19.742 3.437 1.00 0.00 C ATOM 24 O SER A 3 -6.961 -20.139 3.354 1.00 0.00 O ATOM 25 CB SER A 3 -9.834 -21.441 2.772 1.00 0.00 C ATOM 26 OG SER A 3 -10.280 -22.721 3.187 1.00 0.00 O ATOM 0 H SER A 3 -11.018 -19.573 4.029 1.00 0.00 H new ATOM 0 HA SER A 3 -8.795 -21.365 4.653 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.669 -20.881 2.351 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.092 -21.550 1.981 1.00 0.00 H new ATOM 0 HG SER A 3 -10.664 -23.198 2.422 1.00 0.00 H new ATOM 32 N GLY A 4 -8.492 -18.511 3.101 1.00 0.00 N ATOM 33 CA GLY A 4 -7.518 -17.554 2.608 1.00 0.00 C ATOM 34 C GLY A 4 -6.644 -16.994 3.713 1.00 0.00 C ATOM 35 O GLY A 4 -6.666 -15.793 3.983 1.00 0.00 O ATOM 0 H GLY A 4 -9.447 -18.159 3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.888 -18.034 1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.038 -16.735 2.110 1.00 0.00 H new ATOM 39 N SER A 5 -5.872 -17.865 4.353 1.00 0.00 N ATOM 40 CA SER A 5 -4.986 -17.452 5.435 1.00 0.00 C ATOM 41 C SER A 5 -3.905 -16.506 4.919 1.00 0.00 C ATOM 42 O SER A 5 -3.715 -15.414 5.455 1.00 0.00 O ATOM 43 CB SER A 5 -4.340 -18.674 6.089 1.00 0.00 C ATOM 44 OG SER A 5 -5.120 -19.143 7.174 1.00 0.00 O ATOM 0 H SER A 5 -5.842 -18.862 4.141 1.00 0.00 H new ATOM 0 HA SER A 5 -5.583 -16.924 6.179 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.224 -19.467 5.350 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.341 -18.417 6.440 1.00 0.00 H new ATOM 0 HG SER A 5 -4.687 -19.926 7.574 1.00 0.00 H new ATOM 50 N SER A 6 -3.200 -16.933 3.877 1.00 0.00 N ATOM 51 CA SER A 6 -2.139 -16.125 3.288 1.00 0.00 C ATOM 52 C SER A 6 -2.530 -15.648 1.892 1.00 0.00 C ATOM 53 O SER A 6 -1.864 -15.967 0.906 1.00 0.00 O ATOM 54 CB SER A 6 -0.836 -16.925 3.225 1.00 0.00 C ATOM 55 OG SER A 6 -0.917 -17.957 2.257 1.00 0.00 O ATOM 0 H SER A 6 -3.344 -17.835 3.423 1.00 0.00 H new ATOM 0 HA SER A 6 -1.987 -15.250 3.920 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.008 -16.259 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.622 -17.356 4.203 1.00 0.00 H new ATOM 0 HG SER A 6 -1.043 -17.563 1.369 1.00 0.00 H new ATOM 61 N GLY A 7 -3.615 -14.885 1.817 1.00 0.00 N ATOM 62 CA GLY A 7 -4.077 -14.377 0.539 1.00 0.00 C ATOM 63 C GLY A 7 -3.594 -12.967 0.265 1.00 0.00 C ATOM 64 O GLY A 7 -4.250 -12.206 -0.447 1.00 0.00 O ATOM 0 H GLY A 7 -4.183 -14.609 2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.731 -15.037 -0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.167 -14.395 0.517 1.00 0.00 H new ATOM 68 N VAL A 8 -2.444 -12.618 0.831 1.00 0.00 N ATOM 69 CA VAL A 8 -1.873 -11.289 0.643 1.00 0.00 C ATOM 70 C VAL A 8 -0.798 -11.300 -0.438 1.00 0.00 C ATOM 71 O VAL A 8 -0.594 -10.305 -1.134 1.00 0.00 O ATOM 72 CB VAL A 8 -1.265 -10.749 1.951 1.00 0.00 C ATOM 73 CG1 VAL A 8 -0.861 -9.292 1.791 1.00 0.00 C ATOM 74 CG2 VAL A 8 -2.244 -10.915 3.104 1.00 0.00 C ATOM 0 H VAL A 8 -1.889 -13.236 1.423 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.688 -10.635 0.333 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.369 -11.327 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.434 -8.928 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.121 -9.205 0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.738 -8.697 1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.797 -10.528 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.159 -10.365 2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.478 -11.972 3.233 1.00 0.00 H new ATOM 84 N SER A 9 -0.113 -12.431 -0.573 1.00 0.00 N ATOM 85 CA SER A 9 0.943 -12.570 -1.570 1.00 0.00 C ATOM 86 C SER A 9 0.353 -12.709 -2.970 1.00 0.00 C ATOM 87 O SER A 9 0.851 -12.114 -3.926 1.00 0.00 O ATOM 88 CB SER A 9 1.817 -13.784 -1.250 1.00 0.00 C ATOM 89 OG SER A 9 3.058 -13.713 -1.934 1.00 0.00 O ATOM 0 H SER A 9 -0.270 -13.264 -0.005 1.00 0.00 H new ATOM 0 HA SER A 9 1.558 -11.670 -1.541 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.993 -13.837 -0.176 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.294 -14.698 -1.533 1.00 0.00 H new ATOM 0 HG SER A 9 3.599 -14.499 -1.712 1.00 0.00 H new ATOM 95 N GLN A 10 -0.711 -13.498 -3.083 1.00 0.00 N ATOM 96 CA GLN A 10 -1.369 -13.714 -4.368 1.00 0.00 C ATOM 97 C GLN A 10 -1.867 -12.396 -4.952 1.00 0.00 C ATOM 98 O GLN A 10 -1.884 -12.211 -6.169 1.00 0.00 O ATOM 99 CB GLN A 10 -2.537 -14.692 -4.207 1.00 0.00 C ATOM 100 CG GLN A 10 -2.214 -16.103 -4.669 1.00 0.00 C ATOM 101 CD GLN A 10 -2.300 -17.120 -3.547 1.00 0.00 C ATOM 102 OE1 GLN A 10 -1.363 -17.881 -3.310 1.00 0.00 O ATOM 103 NE2 GLN A 10 -3.430 -17.137 -2.849 1.00 0.00 N ATOM 0 H GLN A 10 -1.136 -13.998 -2.302 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.640 -14.141 -5.056 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.835 -14.721 -3.159 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.392 -14.320 -4.771 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.903 -16.387 -5.465 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.211 -16.121 -5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.182 -16.488 -3.080 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.546 -17.799 -2.082 1.00 0.00 H new ATOM 112 N ARG A 11 -2.270 -11.482 -4.076 1.00 0.00 N ATOM 113 CA ARG A 11 -2.769 -10.181 -4.504 1.00 0.00 C ATOM 114 C ARG A 11 -1.637 -9.322 -5.066 1.00 0.00 C ATOM 115 O ARG A 11 -0.472 -9.515 -4.720 1.00 0.00 O ATOM 116 CB ARG A 11 -3.438 -9.459 -3.332 1.00 0.00 C ATOM 117 CG ARG A 11 -4.607 -10.224 -2.736 1.00 0.00 C ATOM 118 CD ARG A 11 -5.896 -9.953 -3.494 1.00 0.00 C ATOM 119 NE ARG A 11 -7.022 -10.706 -2.947 1.00 0.00 N ATOM 120 CZ ARG A 11 -7.249 -11.992 -3.205 1.00 0.00 C ATOM 121 NH1 ARG A 11 -6.431 -12.672 -3.999 1.00 0.00 N ATOM 122 NH2 ARG A 11 -8.297 -12.601 -2.666 1.00 0.00 N ATOM 0 H ARG A 11 -2.261 -11.618 -3.065 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.505 -10.342 -5.292 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.696 -9.281 -2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.787 -8.483 -3.669 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.391 -11.292 -2.754 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.732 -9.942 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.121 -8.887 -3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.761 -10.214 -4.544 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.672 -10.218 -2.331 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.623 -12.209 -4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.610 -13.657 -4.193 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.928 -12.084 -2.054 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.471 -13.586 -2.863 1.00 0.00 H new ATOM 136 N PRO A 12 -1.967 -8.359 -5.943 1.00 0.00 N ATOM 137 CA PRO A 12 -0.972 -7.469 -6.550 1.00 0.00 C ATOM 138 C PRO A 12 -0.215 -6.652 -5.508 1.00 0.00 C ATOM 139 O PRO A 12 -0.720 -6.403 -4.413 1.00 0.00 O ATOM 140 CB PRO A 12 -1.804 -6.549 -7.453 1.00 0.00 C ATOM 141 CG PRO A 12 -3.201 -6.662 -6.945 1.00 0.00 C ATOM 142 CD PRO A 12 -3.330 -8.058 -6.408 1.00 0.00 C ATOM 0 HA PRO A 12 -0.206 -8.028 -7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.448 -5.520 -7.401 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.738 -6.857 -8.496 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.395 -5.924 -6.166 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.923 -6.481 -7.742 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.055 -8.113 -5.596 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.658 -8.758 -7.177 1.00 0.00 H new ATOM 150 N PHE A 13 0.999 -6.239 -5.856 1.00 0.00 N ATOM 151 CA PHE A 13 1.827 -5.451 -4.950 1.00 0.00 C ATOM 152 C PHE A 13 1.223 -4.071 -4.717 1.00 0.00 C ATOM 153 O PHE A 13 1.296 -3.529 -3.614 1.00 0.00 O ATOM 154 CB PHE A 13 3.243 -5.313 -5.513 1.00 0.00 C ATOM 155 CG PHE A 13 4.209 -4.672 -4.558 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.741 -5.395 -3.501 1.00 0.00 C ATOM 157 CD2 PHE A 13 4.586 -3.349 -4.716 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.629 -4.809 -2.620 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.475 -2.757 -3.837 1.00 0.00 C ATOM 160 CZ PHE A 13 5.996 -3.488 -2.788 1.00 0.00 C ATOM 0 H PHE A 13 1.431 -6.437 -6.758 1.00 0.00 H new ATOM 0 HA PHE A 13 1.871 -5.972 -3.993 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.615 -6.301 -5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.205 -4.723 -6.429 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.458 -6.428 -3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.181 -2.773 -5.535 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.036 -5.383 -1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.761 -1.724 -3.971 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.689 -3.028 -2.100 1.00 0.00 H new ATOM 170 N ARG A 14 0.628 -3.506 -5.762 1.00 0.00 N ATOM 171 CA ARG A 14 0.011 -2.187 -5.672 1.00 0.00 C ATOM 172 C ARG A 14 -1.088 -2.171 -4.614 1.00 0.00 C ATOM 173 O ARG A 14 -1.309 -1.159 -3.949 1.00 0.00 O ATOM 174 CB ARG A 14 -0.563 -1.777 -7.029 1.00 0.00 C ATOM 175 CG ARG A 14 -0.257 -0.338 -7.409 1.00 0.00 C ATOM 176 CD ARG A 14 -0.307 -0.136 -8.916 1.00 0.00 C ATOM 177 NE ARG A 14 -1.676 0.021 -9.404 1.00 0.00 N ATOM 178 CZ ARG A 14 -2.436 -0.987 -9.833 1.00 0.00 C ATOM 179 NH1 ARG A 14 -1.971 -2.230 -9.840 1.00 0.00 N ATOM 180 NH2 ARG A 14 -3.670 -0.748 -10.256 1.00 0.00 N ATOM 0 H ARG A 14 0.560 -3.941 -6.682 1.00 0.00 H new ATOM 0 HA ARG A 14 0.780 -1.472 -5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.165 -2.439 -7.798 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.644 -1.918 -7.015 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.974 0.327 -6.928 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.730 -0.064 -7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.276 0.746 -9.183 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.159 -0.988 -9.411 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.075 0.960 -9.417 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.023 -2.422 -9.515 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.561 -2.993 -10.170 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.035 0.205 -10.252 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.254 -1.517 -10.585 1.00 0.00 H new ATOM 194 N ASP A 15 -1.774 -3.299 -4.464 1.00 0.00 N ATOM 195 CA ASP A 15 -2.851 -3.414 -3.487 1.00 0.00 C ATOM 196 C ASP A 15 -2.294 -3.683 -2.092 1.00 0.00 C ATOM 197 O ASP A 15 -2.870 -3.258 -1.091 1.00 0.00 O ATOM 198 CB ASP A 15 -3.814 -4.533 -3.888 1.00 0.00 C ATOM 199 CG ASP A 15 -4.748 -4.118 -5.009 1.00 0.00 C ATOM 200 OD1 ASP A 15 -4.248 -3.773 -6.100 1.00 0.00 O ATOM 201 OD2 ASP A 15 -5.978 -4.137 -4.795 1.00 0.00 O ATOM 0 H ASP A 15 -1.604 -4.146 -5.006 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.392 -2.468 -3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.242 -5.407 -4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.402 -4.831 -3.020 1.00 0.00 H new ATOM 206 N ARG A 16 -1.170 -4.389 -2.036 1.00 0.00 N ATOM 207 CA ARG A 16 -0.535 -4.713 -0.764 1.00 0.00 C ATOM 208 C ARG A 16 -0.057 -3.448 -0.058 1.00 0.00 C ATOM 209 O ARG A 16 -0.041 -3.379 1.171 1.00 0.00 O ATOM 210 CB ARG A 16 0.643 -5.663 -0.986 1.00 0.00 C ATOM 211 CG ARG A 16 0.259 -7.133 -0.925 1.00 0.00 C ATOM 212 CD ARG A 16 1.145 -7.978 -1.825 1.00 0.00 C ATOM 213 NE ARG A 16 2.237 -8.606 -1.085 1.00 0.00 N ATOM 214 CZ ARG A 16 3.120 -9.441 -1.632 1.00 0.00 C ATOM 215 NH1 ARG A 16 3.040 -9.750 -2.920 1.00 0.00 N ATOM 216 NH2 ARG A 16 4.082 -9.967 -0.888 1.00 0.00 N ATOM 0 H ARG A 16 -0.680 -4.748 -2.856 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.274 -5.204 -0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.090 -5.453 -1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.406 -5.464 -0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.338 -7.488 0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.783 -7.251 -1.224 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.543 -8.749 -2.306 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.557 -7.354 -2.618 1.00 0.00 H new ATOM 0 HE ARG A 16 2.329 -8.393 -0.092 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.300 -9.348 -3.496 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.718 -10.390 -3.334 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.146 -9.733 0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.758 -10.606 -1.306 1.00 0.00 H new ATOM 230 N VAL A 17 0.333 -2.450 -0.845 1.00 0.00 N ATOM 231 CA VAL A 17 0.812 -1.187 -0.296 1.00 0.00 C ATOM 232 C VAL A 17 -0.333 -0.195 -0.120 1.00 0.00 C ATOM 233 O VAL A 17 -0.377 0.549 0.859 1.00 0.00 O ATOM 234 CB VAL A 17 1.890 -0.555 -1.198 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.494 0.672 -0.531 1.00 0.00 C ATOM 236 CG2 VAL A 17 2.972 -1.572 -1.536 1.00 0.00 C ATOM 0 H VAL A 17 0.327 -2.492 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 17 1.249 -1.410 0.677 1.00 0.00 H new ATOM 0 HB VAL A 17 1.417 -0.240 -2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.253 1.104 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.712 1.408 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.951 0.384 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.723 -1.106 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.442 -1.922 -0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.526 -2.417 -2.060 1.00 0.00 H new ATOM 246 N LEU A 18 -1.256 -0.188 -1.077 1.00 0.00 N ATOM 247 CA LEU A 18 -2.400 0.715 -1.027 1.00 0.00 C ATOM 248 C LEU A 18 -3.229 0.478 0.231 1.00 0.00 C ATOM 249 O LEU A 18 -3.473 1.400 1.009 1.00 0.00 O ATOM 250 CB LEU A 18 -3.275 0.532 -2.270 1.00 0.00 C ATOM 251 CG LEU A 18 -4.542 1.388 -2.303 1.00 0.00 C ATOM 252 CD1 LEU A 18 -4.260 2.732 -2.957 1.00 0.00 C ATOM 253 CD2 LEU A 18 -5.658 0.659 -3.036 1.00 0.00 C ATOM 0 H LEU A 18 -1.234 -0.797 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.022 1.737 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.678 0.761 -3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.562 -0.517 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.865 1.567 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.173 3.328 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.492 3.258 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.913 2.574 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.552 1.282 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.345 0.450 -4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.877 -0.278 -2.525 1.00 0.00 H new ATOM 265 N HIS A 19 -3.663 -0.763 0.424 1.00 0.00 N ATOM 266 CA HIS A 19 -4.466 -1.121 1.587 1.00 0.00 C ATOM 267 C HIS A 19 -3.714 -0.834 2.883 1.00 0.00 C ATOM 268 O HIS A 19 -4.317 -0.490 3.899 1.00 0.00 O ATOM 269 CB HIS A 19 -4.857 -2.599 1.527 1.00 0.00 C ATOM 270 CG HIS A 19 -5.905 -2.899 0.501 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.627 -3.237 -0.804 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.258 -2.907 0.610 1.00 0.00 C ATOM 273 CE1 HIS A 19 -6.793 -3.434 -1.435 1.00 0.00 C ATOM 274 NE2 HIS A 19 -7.814 -3.247 -0.620 1.00 0.00 N ATOM 0 H HIS A 19 -3.472 -1.538 -0.211 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.369 -0.511 1.573 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.969 -3.193 1.312 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.219 -2.911 2.507 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -4.698 -3.322 -1.217 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.815 -2.685 1.508 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.885 -3.710 -2.475 1.00 0.00 H new ATOM 282 N LEU A 20 -2.393 -0.975 2.839 1.00 0.00 N ATOM 283 CA LEU A 20 -1.560 -0.731 4.010 1.00 0.00 C ATOM 284 C LEU A 20 -1.561 0.749 4.380 1.00 0.00 C ATOM 285 O LEU A 20 -1.915 1.119 5.500 1.00 0.00 O ATOM 286 CB LEU A 20 -0.127 -1.202 3.752 1.00 0.00 C ATOM 287 CG LEU A 20 0.131 -2.681 4.042 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.513 -3.087 3.556 1.00 0.00 C ATOM 289 CD2 LEU A 20 -0.017 -2.964 5.531 1.00 0.00 C ATOM 0 H LEU A 20 -1.877 -1.257 2.005 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.976 -1.297 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.122 -1.003 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.551 -0.604 4.362 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.609 -3.273 3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.679 -4.143 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.584 -2.920 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.268 -2.490 4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.170 -4.021 5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.701 -2.363 6.089 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.028 -2.711 5.851 1.00 0.00 H new ATOM 301 N LEU A 21 -1.162 1.591 3.433 1.00 0.00 N ATOM 302 CA LEU A 21 -1.117 3.030 3.658 1.00 0.00 C ATOM 303 C LEU A 21 -2.515 3.590 3.902 1.00 0.00 C ATOM 304 O LEU A 21 -2.684 4.573 4.624 1.00 0.00 O ATOM 305 CB LEU A 21 -0.476 3.735 2.460 1.00 0.00 C ATOM 306 CG LEU A 21 0.882 3.178 2.032 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.252 3.681 0.646 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.955 3.554 3.042 1.00 0.00 C ATOM 0 H LEU A 21 -0.865 1.301 2.501 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.513 3.213 4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.160 3.674 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.359 4.792 2.700 1.00 0.00 H new ATOM 0 HG LEU A 21 0.812 2.091 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.221 3.274 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.496 3.360 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.304 4.770 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.915 3.149 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.024 4.640 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.696 3.143 4.018 1.00 0.00 H new ATOM 320 N ALA A 22 -3.515 2.958 3.296 1.00 0.00 N ATOM 321 CA ALA A 22 -4.898 3.393 3.447 1.00 0.00 C ATOM 322 C ALA A 22 -5.323 3.377 4.913 1.00 0.00 C ATOM 323 O ALA A 22 -6.091 4.230 5.356 1.00 0.00 O ATOM 324 CB ALA A 22 -5.822 2.514 2.619 1.00 0.00 C ATOM 0 H ALA A 22 -3.393 2.143 2.696 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.970 4.419 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.851 2.851 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.542 2.580 1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.736 1.480 2.953 1.00 0.00 H new ATOM 330 N LEU A 23 -4.817 2.401 5.659 1.00 0.00 N ATOM 331 CA LEU A 23 -5.145 2.273 7.075 1.00 0.00 C ATOM 332 C LEU A 23 -4.445 3.353 7.895 1.00 0.00 C ATOM 333 O LEU A 23 -5.090 4.115 8.615 1.00 0.00 O ATOM 334 CB LEU A 23 -4.750 0.888 7.588 1.00 0.00 C ATOM 335 CG LEU A 23 -5.776 -0.216 7.328 1.00 0.00 C ATOM 336 CD1 LEU A 23 -5.314 -1.529 7.939 1.00 0.00 C ATOM 337 CD2 LEU A 23 -7.137 0.181 7.880 1.00 0.00 C ATOM 0 H LEU A 23 -4.179 1.687 5.308 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.222 2.399 7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.806 0.602 7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.572 0.952 8.661 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.868 -0.353 6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.057 -2.302 7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.361 -1.821 7.497 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.192 -1.407 9.015 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.855 -0.616 7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.060 0.346 8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.473 1.098 7.395 1.00 0.00 H new ATOM 349 N ARG A 24 -3.122 3.410 7.781 1.00 0.00 N ATOM 350 CA ARG A 24 -2.335 4.397 8.512 1.00 0.00 C ATOM 351 C ARG A 24 -0.984 4.623 7.839 1.00 0.00 C ATOM 352 O ARG A 24 -0.525 3.791 7.055 1.00 0.00 O ATOM 353 CB ARG A 24 -2.129 3.946 9.958 1.00 0.00 C ATOM 354 CG ARG A 24 -1.444 2.593 10.082 1.00 0.00 C ATOM 355 CD ARG A 24 -0.727 2.452 11.414 1.00 0.00 C ATOM 356 NE ARG A 24 -1.569 1.818 12.426 1.00 0.00 N ATOM 357 CZ ARG A 24 -1.787 0.506 12.492 1.00 0.00 C ATOM 358 NH1 ARG A 24 -1.228 -0.312 11.609 1.00 0.00 N ATOM 359 NH2 ARG A 24 -2.566 0.011 13.443 1.00 0.00 N ATOM 0 H ARG A 24 -2.573 2.785 7.190 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.884 5.338 8.508 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.534 4.694 10.482 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.097 3.901 10.457 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.184 1.799 9.980 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.729 2.470 9.268 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.180 1.863 11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.418 3.437 11.765 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.016 2.415 13.122 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.628 0.063 10.875 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.399 -1.316 11.665 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.998 0.635 14.124 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.733 -0.994 13.494 1.00 0.00 H new ATOM 373 N PRO A 25 -0.326 5.757 8.136 1.00 0.00 N ATOM 374 CA PRO A 25 0.979 6.088 7.555 1.00 0.00 C ATOM 375 C PRO A 25 1.993 4.962 7.729 1.00 0.00 C ATOM 376 O PRO A 25 2.017 4.287 8.758 1.00 0.00 O ATOM 377 CB PRO A 25 1.416 7.326 8.343 1.00 0.00 C ATOM 378 CG PRO A 25 0.146 7.944 8.814 1.00 0.00 C ATOM 379 CD PRO A 25 -0.802 6.803 9.061 1.00 0.00 C ATOM 0 HA PRO A 25 0.916 6.251 6.479 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.059 7.055 9.181 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.982 8.015 7.716 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.307 8.522 9.724 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.255 8.630 8.068 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.767 6.469 10.098 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.834 7.085 8.852 1.00 0.00 H new ATOM 387 N TYR A 26 2.829 4.765 6.715 1.00 0.00 N ATOM 388 CA TYR A 26 3.846 3.720 6.754 1.00 0.00 C ATOM 389 C TYR A 26 5.141 4.196 6.105 1.00 0.00 C ATOM 390 O TYR A 26 5.178 4.486 4.910 1.00 0.00 O ATOM 391 CB TYR A 26 3.339 2.460 6.048 1.00 0.00 C ATOM 392 CG TYR A 26 2.745 1.436 6.989 1.00 0.00 C ATOM 393 CD1 TYR A 26 3.560 0.580 7.719 1.00 0.00 C ATOM 394 CD2 TYR A 26 1.369 1.326 7.147 1.00 0.00 C ATOM 395 CE1 TYR A 26 3.021 -0.358 8.579 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.822 0.391 8.005 1.00 0.00 C ATOM 397 CZ TYR A 26 1.652 -0.448 8.719 1.00 0.00 C ATOM 398 OH TYR A 26 1.111 -1.380 9.575 1.00 0.00 O ATOM 0 H TYR A 26 2.822 5.315 5.856 1.00 0.00 H new ATOM 0 HA TYR A 26 4.051 3.485 7.799 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.587 2.744 5.312 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.164 2.003 5.501 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.633 0.649 7.613 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.716 1.982 6.590 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.668 -1.017 9.138 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.250 0.318 8.116 1.00 0.00 H new ATOM 0 HH TYR A 26 0.134 -1.311 9.558 1.00 0.00 H new ATOM 408 N ARG A 27 6.202 4.274 6.902 1.00 0.00 N ATOM 409 CA ARG A 27 7.501 4.715 6.406 1.00 0.00 C ATOM 410 C ARG A 27 8.111 3.669 5.478 1.00 0.00 C ATOM 411 O ARG A 27 7.662 2.523 5.438 1.00 0.00 O ATOM 412 CB ARG A 27 8.448 4.994 7.574 1.00 0.00 C ATOM 413 CG ARG A 27 7.884 5.970 8.593 1.00 0.00 C ATOM 414 CD ARG A 27 8.236 5.560 10.015 1.00 0.00 C ATOM 415 NE ARG A 27 9.669 5.334 10.181 1.00 0.00 N ATOM 416 CZ ARG A 27 10.284 5.305 11.361 1.00 0.00 C ATOM 417 NH1 ARG A 27 9.594 5.486 12.480 1.00 0.00 N ATOM 418 NH2 ARG A 27 11.591 5.095 11.423 1.00 0.00 N ATOM 0 H ARG A 27 6.188 4.038 7.894 1.00 0.00 H new ATOM 0 HA ARG A 27 7.354 5.635 5.840 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.682 4.054 8.074 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.386 5.390 7.184 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.273 6.969 8.395 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.800 6.023 8.486 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.909 6.336 10.707 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.693 4.651 10.275 1.00 0.00 H new ATOM 0 HE ARG A 27 10.232 5.190 9.343 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.588 5.648 12.438 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.070 5.463 13.382 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.126 4.955 10.566 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.062 5.073 12.328 1.00 0.00 H new ATOM 432 N LYS A 28 9.136 4.071 4.733 1.00 0.00 N ATOM 433 CA LYS A 28 9.807 3.168 3.806 1.00 0.00 C ATOM 434 C LYS A 28 10.446 2.000 4.550 1.00 0.00 C ATOM 435 O LYS A 28 10.351 0.850 4.119 1.00 0.00 O ATOM 436 CB LYS A 28 10.870 3.922 3.005 1.00 0.00 C ATOM 437 CG LYS A 28 10.365 4.449 1.670 1.00 0.00 C ATOM 438 CD LYS A 28 11.315 4.103 0.535 1.00 0.00 C ATOM 439 CE LYS A 28 12.661 4.791 0.705 1.00 0.00 C ATOM 440 NZ LYS A 28 13.794 3.874 0.402 1.00 0.00 N ATOM 0 H LYS A 28 9.520 5.016 4.754 1.00 0.00 H new ATOM 0 HA LYS A 28 9.059 2.771 3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.237 4.758 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.717 3.260 2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.381 4.030 1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.245 5.531 1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.459 3.023 0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.871 4.399 -0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.711 5.659 0.048 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.755 5.159 1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.694 4.380 0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.762 3.058 1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.719 3.543 -0.581 1.00 0.00 H new ATOM 454 N ALA A 29 11.098 2.302 5.667 1.00 0.00 N ATOM 455 CA ALA A 29 11.753 1.277 6.471 1.00 0.00 C ATOM 456 C ALA A 29 10.729 0.410 7.196 1.00 0.00 C ATOM 457 O ALA A 29 10.947 -0.783 7.405 1.00 0.00 O ATOM 458 CB ALA A 29 12.706 1.917 7.469 1.00 0.00 C ATOM 0 H ALA A 29 11.187 3.249 6.036 1.00 0.00 H new ATOM 0 HA ALA A 29 12.324 0.635 5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.188 1.140 8.062 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.465 2.487 6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.149 2.583 8.128 1.00 0.00 H new ATOM 464 N GLU A 30 9.611 1.019 7.577 1.00 0.00 N ATOM 465 CA GLU A 30 8.552 0.303 8.279 1.00 0.00 C ATOM 466 C GLU A 30 7.749 -0.564 7.314 1.00 0.00 C ATOM 467 O GLU A 30 7.444 -1.719 7.609 1.00 0.00 O ATOM 468 CB GLU A 30 7.625 1.292 8.991 1.00 0.00 C ATOM 469 CG GLU A 30 7.340 0.925 10.438 1.00 0.00 C ATOM 470 CD GLU A 30 6.650 -0.417 10.574 1.00 0.00 C ATOM 471 OE1 GLU A 30 5.831 -0.756 9.692 1.00 0.00 O ATOM 472 OE2 GLU A 30 6.925 -1.129 11.561 1.00 0.00 O ATOM 0 H GLU A 30 9.415 2.006 7.412 1.00 0.00 H new ATOM 0 HA GLU A 30 9.016 -0.347 9.021 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.073 2.285 8.958 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.682 1.350 8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.277 0.906 10.995 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.717 1.697 10.889 1.00 0.00 H new ATOM 479 N LEU A 31 7.409 0.002 6.160 1.00 0.00 N ATOM 480 CA LEU A 31 6.642 -0.718 5.152 1.00 0.00 C ATOM 481 C LEU A 31 7.483 -1.818 4.510 1.00 0.00 C ATOM 482 O LEU A 31 6.963 -2.865 4.125 1.00 0.00 O ATOM 483 CB LEU A 31 6.139 0.247 4.077 1.00 0.00 C ATOM 484 CG LEU A 31 4.993 -0.283 3.213 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.745 -0.499 4.056 1.00 0.00 C ATOM 486 CD2 LEU A 31 4.706 0.673 2.066 1.00 0.00 C ATOM 0 H LEU A 31 7.653 0.958 5.901 1.00 0.00 H new ATOM 0 HA LEU A 31 5.787 -1.180 5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.813 1.167 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.973 0.508 3.426 1.00 0.00 H new ATOM 0 HG LEU A 31 5.293 -1.243 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.940 -0.876 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.958 -1.222 4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.441 0.447 4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.888 0.281 1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.426 1.648 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.597 0.777 1.447 1.00 0.00 H new ATOM 498 N LEU A 32 8.784 -1.571 4.398 1.00 0.00 N ATOM 499 CA LEU A 32 9.696 -2.539 3.803 1.00 0.00 C ATOM 500 C LEU A 32 9.727 -3.830 4.615 1.00 0.00 C ATOM 501 O LEU A 32 9.584 -4.923 4.068 1.00 0.00 O ATOM 502 CB LEU A 32 11.105 -1.950 3.707 1.00 0.00 C ATOM 503 CG LEU A 32 11.390 -1.159 2.430 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.626 -0.290 2.605 1.00 0.00 C ATOM 505 CD2 LEU A 32 11.562 -2.102 1.248 1.00 0.00 C ATOM 0 H LEU A 32 9.230 -0.709 4.712 1.00 0.00 H new ATOM 0 HA LEU A 32 9.336 -2.771 2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.269 -1.297 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.828 -2.762 3.782 1.00 0.00 H new ATOM 0 HG LEU A 32 10.539 -0.508 2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.813 0.266 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.466 0.409 3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.486 -0.921 2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.764 -1.523 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.396 -2.778 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.650 -2.682 1.109 1.00 0.00 H new ATOM 517 N LEU A 33 9.915 -3.694 5.924 1.00 0.00 N ATOM 518 CA LEU A 33 9.965 -4.850 6.812 1.00 0.00 C ATOM 519 C LEU A 33 8.600 -5.526 6.903 1.00 0.00 C ATOM 520 O LEU A 33 8.506 -6.752 6.967 1.00 0.00 O ATOM 521 CB LEU A 33 10.431 -4.428 8.208 1.00 0.00 C ATOM 522 CG LEU A 33 11.783 -3.715 8.249 1.00 0.00 C ATOM 523 CD1 LEU A 33 12.056 -3.170 9.643 1.00 0.00 C ATOM 524 CD2 LEU A 33 12.896 -4.659 7.816 1.00 0.00 C ATOM 0 H LEU A 33 10.035 -2.796 6.393 1.00 0.00 H new ATOM 0 HA LEU A 33 10.678 -5.563 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.678 -3.772 8.643 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.485 -5.314 8.840 1.00 0.00 H new ATOM 0 HG LEU A 33 11.753 -2.877 7.553 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.022 -2.666 9.654 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.274 -2.462 9.916 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.068 -3.992 10.359 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.851 -4.135 7.851 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.927 -5.517 8.488 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.707 -5.002 6.799 1.00 0.00 H new ATOM 536 N ARG A 34 7.545 -4.717 6.910 1.00 0.00 N ATOM 537 CA ARG A 34 6.185 -5.236 6.993 1.00 0.00 C ATOM 538 C ARG A 34 5.867 -6.127 5.795 1.00 0.00 C ATOM 539 O ARG A 34 5.355 -7.235 5.952 1.00 0.00 O ATOM 540 CB ARG A 34 5.182 -4.083 7.069 1.00 0.00 C ATOM 541 CG ARG A 34 4.088 -4.296 8.103 1.00 0.00 C ATOM 542 CD ARG A 34 3.204 -5.481 7.746 1.00 0.00 C ATOM 543 NE ARG A 34 1.794 -5.106 7.659 1.00 0.00 N ATOM 544 CZ ARG A 34 1.075 -4.682 8.696 1.00 0.00 C ATOM 545 NH1 ARG A 34 1.628 -4.580 9.899 1.00 0.00 N ATOM 546 NH2 ARG A 34 -0.200 -4.360 8.530 1.00 0.00 N ATOM 0 H ARG A 34 7.606 -3.700 6.859 1.00 0.00 H new ATOM 0 HA ARG A 34 6.106 -5.837 7.899 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.717 -3.162 7.302 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.723 -3.946 6.090 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.539 -4.459 9.082 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.478 -3.396 8.179 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.527 -5.900 6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.326 -6.263 8.496 1.00 0.00 H new ATOM 0 HE ARG A 34 1.334 -5.173 6.751 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.609 -4.827 10.032 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.072 -4.255 10.690 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.630 -4.437 7.608 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.752 -4.035 9.324 1.00 0.00 H new ATOM 560 N LEU A 35 6.175 -5.634 4.600 1.00 0.00 N ATOM 561 CA LEU A 35 5.923 -6.385 3.376 1.00 0.00 C ATOM 562 C LEU A 35 6.838 -7.602 3.285 1.00 0.00 C ATOM 563 O LEU A 35 6.446 -8.647 2.767 1.00 0.00 O ATOM 564 CB LEU A 35 6.126 -5.488 2.152 1.00 0.00 C ATOM 565 CG LEU A 35 5.191 -4.281 2.072 1.00 0.00 C ATOM 566 CD1 LEU A 35 5.745 -3.238 1.113 1.00 0.00 C ATOM 567 CD2 LEU A 35 3.798 -4.715 1.643 1.00 0.00 C ATOM 0 H LEU A 35 6.599 -4.718 4.453 1.00 0.00 H new ATOM 0 HA LEU A 35 4.890 -6.731 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.156 -5.131 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.994 -6.090 1.253 1.00 0.00 H new ATOM 0 HG LEU A 35 5.122 -3.832 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.066 -2.387 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.722 -2.905 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.844 -3.674 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.145 -3.844 1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.850 -5.188 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.399 -5.425 2.368 1.00 0.00 H new ATOM 579 N GLN A 36 8.058 -7.458 3.792 1.00 0.00 N ATOM 580 CA GLN A 36 9.027 -8.547 3.768 1.00 0.00 C ATOM 581 C GLN A 36 8.508 -9.755 4.541 1.00 0.00 C ATOM 582 O GLN A 36 8.821 -10.899 4.209 1.00 0.00 O ATOM 583 CB GLN A 36 10.361 -8.082 4.357 1.00 0.00 C ATOM 584 CG GLN A 36 11.572 -8.558 3.571 1.00 0.00 C ATOM 585 CD GLN A 36 12.650 -9.149 4.460 1.00 0.00 C ATOM 586 OE1 GLN A 36 13.127 -10.258 4.222 1.00 0.00 O ATOM 587 NE2 GLN A 36 13.039 -8.407 5.491 1.00 0.00 N ATOM 0 H GLN A 36 8.399 -6.599 4.224 1.00 0.00 H new ATOM 0 HA GLN A 36 9.179 -8.843 2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 36 10.370 -6.993 4.398 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.440 -8.441 5.383 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.257 -9.305 2.843 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.988 -7.721 3.010 1.00 0.00 H new ATOM 0 HE21 GLN A 36 12.616 -7.493 5.650 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.761 -8.752 6.124 1.00 0.00 H new ATOM 596 N LYS A 37 7.713 -9.495 5.573 1.00 0.00 N ATOM 597 CA LYS A 37 7.151 -10.561 6.394 1.00 0.00 C ATOM 598 C LYS A 37 6.234 -11.457 5.567 1.00 0.00 C ATOM 599 O LYS A 37 6.136 -12.659 5.815 1.00 0.00 O ATOM 600 CB LYS A 37 6.378 -9.971 7.575 1.00 0.00 C ATOM 601 CG LYS A 37 7.270 -9.491 8.708 1.00 0.00 C ATOM 602 CD LYS A 37 6.722 -9.902 10.066 1.00 0.00 C ATOM 603 CE LYS A 37 7.516 -11.052 10.665 1.00 0.00 C ATOM 604 NZ LYS A 37 7.609 -10.948 12.148 1.00 0.00 N ATOM 0 H LYS A 37 7.443 -8.554 5.861 1.00 0.00 H new ATOM 0 HA LYS A 37 7.974 -11.166 6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.773 -9.136 7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.689 -10.723 7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.272 -9.900 8.581 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.361 -8.406 8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.749 -9.049 10.743 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.677 -10.195 9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.045 -11.998 10.396 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.519 -11.062 10.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.158 -11.750 12.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.081 -10.058 12.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.653 -10.964 12.558 1.00 0.00 H new ATOM 618 N ASP A 38 5.564 -10.864 4.585 1.00 0.00 N ATOM 619 CA ASP A 38 4.655 -11.608 3.721 1.00 0.00 C ATOM 620 C ASP A 38 5.366 -12.075 2.456 1.00 0.00 C ATOM 621 O ASP A 38 5.120 -13.176 1.964 1.00 0.00 O ATOM 622 CB ASP A 38 3.447 -10.744 3.353 1.00 0.00 C ATOM 623 CG ASP A 38 2.444 -10.642 4.484 1.00 0.00 C ATOM 624 OD1 ASP A 38 2.262 -11.642 5.209 1.00 0.00 O ATOM 625 OD2 ASP A 38 1.839 -9.560 4.646 1.00 0.00 O ATOM 0 H ASP A 38 5.633 -9.870 4.367 1.00 0.00 H new ATOM 0 HA ASP A 38 4.312 -12.487 4.267 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.788 -9.745 3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.958 -11.164 2.474 1.00 0.00 H new ATOM 630 N GLY A 39 6.248 -11.229 1.933 1.00 0.00 N ATOM 631 CA GLY A 39 6.982 -11.573 0.729 1.00 0.00 C ATOM 632 C GLY A 39 7.495 -10.351 -0.007 1.00 0.00 C ATOM 633 O GLY A 39 6.753 -9.710 -0.752 1.00 0.00 O ATOM 0 H GLY A 39 6.467 -10.312 2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.823 -12.215 0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.336 -12.148 0.066 1.00 0.00 H new ATOM 637 N LEU A 40 8.767 -10.027 0.202 1.00 0.00 N ATOM 638 CA LEU A 40 9.379 -8.873 -0.447 1.00 0.00 C ATOM 639 C LEU A 40 10.767 -9.219 -0.974 1.00 0.00 C ATOM 640 O LEU A 40 11.695 -9.456 -0.199 1.00 0.00 O ATOM 641 CB LEU A 40 9.469 -7.699 0.531 1.00 0.00 C ATOM 642 CG LEU A 40 9.566 -6.320 -0.122 1.00 0.00 C ATOM 643 CD1 LEU A 40 8.274 -5.983 -0.853 1.00 0.00 C ATOM 644 CD2 LEU A 40 9.883 -5.259 0.921 1.00 0.00 C ATOM 0 H LEU A 40 9.394 -10.547 0.816 1.00 0.00 H new ATOM 0 HA LEU A 40 8.751 -8.586 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.592 -7.717 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.340 -7.844 1.170 1.00 0.00 H new ATOM 0 HG LEU A 40 10.377 -6.339 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.362 -4.998 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.089 -6.728 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.445 -5.981 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.949 -4.283 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.094 -5.240 1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.834 -5.492 1.400 1.00 0.00 H new ATOM 656 N THR A 41 10.904 -9.247 -2.295 1.00 0.00 N ATOM 657 CA THR A 41 12.179 -9.564 -2.925 1.00 0.00 C ATOM 658 C THR A 41 12.880 -8.296 -3.403 1.00 0.00 C ATOM 659 O THR A 41 12.357 -7.192 -3.254 1.00 0.00 O ATOM 660 CB THR A 41 11.969 -10.518 -4.102 1.00 0.00 C ATOM 661 OG1 THR A 41 10.706 -10.299 -4.705 1.00 0.00 O ATOM 662 CG2 THR A 41 12.044 -11.978 -3.710 1.00 0.00 C ATOM 0 H THR A 41 10.147 -9.054 -2.950 1.00 0.00 H new ATOM 0 HA THR A 41 12.811 -10.050 -2.182 1.00 0.00 H new ATOM 0 HB THR A 41 12.781 -10.303 -4.797 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.591 -10.917 -5.457 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.886 -12.600 -4.591 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.025 -12.191 -3.286 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.274 -12.196 -2.970 1.00 0.00 H new ATOM 670 N GLN A 42 14.067 -8.463 -3.979 1.00 0.00 N ATOM 671 CA GLN A 42 14.839 -7.332 -4.478 1.00 0.00 C ATOM 672 C GLN A 42 14.066 -6.579 -5.556 1.00 0.00 C ATOM 673 O GLN A 42 14.215 -5.366 -5.710 1.00 0.00 O ATOM 674 CB GLN A 42 16.182 -7.810 -5.033 1.00 0.00 C ATOM 675 CG GLN A 42 17.364 -6.974 -4.570 1.00 0.00 C ATOM 676 CD GLN A 42 17.577 -5.740 -5.425 1.00 0.00 C ATOM 677 OE1 GLN A 42 17.595 -5.818 -6.653 1.00 0.00 O ATOM 678 NE2 GLN A 42 17.740 -4.592 -4.778 1.00 0.00 N ATOM 0 H GLN A 42 14.514 -9.370 -4.111 1.00 0.00 H new ATOM 0 HA GLN A 42 15.020 -6.651 -3.646 1.00 0.00 H new ATOM 0 HB2 GLN A 42 16.341 -8.846 -4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.142 -7.795 -6.122 1.00 0.00 H new ATOM 0 HG2 GLN A 42 17.207 -6.671 -3.535 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.266 -7.585 -4.590 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.718 -4.574 -3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 42 17.887 -3.729 -5.301 1.00 0.00 H new ATOM 687 N ALA A 43 13.239 -7.305 -6.303 1.00 0.00 N ATOM 688 CA ALA A 43 12.444 -6.707 -7.366 1.00 0.00 C ATOM 689 C ALA A 43 11.344 -5.817 -6.796 1.00 0.00 C ATOM 690 O ALA A 43 11.179 -4.671 -7.214 1.00 0.00 O ATOM 691 CB ALA A 43 11.844 -7.791 -8.250 1.00 0.00 C ATOM 0 H ALA A 43 13.103 -8.310 -6.190 1.00 0.00 H new ATOM 0 HA ALA A 43 13.102 -6.083 -7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.252 -7.330 -9.040 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.644 -8.383 -8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.205 -8.438 -7.649 1.00 0.00 H new ATOM 697 N ASP A 44 10.593 -6.352 -5.839 1.00 0.00 N ATOM 698 CA ASP A 44 9.509 -5.606 -5.210 1.00 0.00 C ATOM 699 C ASP A 44 10.057 -4.526 -4.283 1.00 0.00 C ATOM 700 O ASP A 44 9.446 -3.470 -4.116 1.00 0.00 O ATOM 701 CB ASP A 44 8.598 -6.552 -4.425 1.00 0.00 C ATOM 702 CG ASP A 44 7.940 -7.589 -5.316 1.00 0.00 C ATOM 703 OD1 ASP A 44 6.850 -7.303 -5.855 1.00 0.00 O ATOM 704 OD2 ASP A 44 8.513 -8.688 -5.471 1.00 0.00 O ATOM 0 H ASP A 44 10.715 -7.300 -5.482 1.00 0.00 H new ATOM 0 HA ASP A 44 8.930 -5.124 -5.998 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.180 -7.056 -3.653 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.828 -5.972 -3.916 1.00 0.00 H new ATOM 709 N LYS A 45 11.211 -4.797 -3.684 1.00 0.00 N ATOM 710 CA LYS A 45 11.842 -3.847 -2.773 1.00 0.00 C ATOM 711 C LYS A 45 12.153 -2.535 -3.486 1.00 0.00 C ATOM 712 O LYS A 45 11.961 -1.454 -2.929 1.00 0.00 O ATOM 713 CB LYS A 45 13.125 -4.445 -2.190 1.00 0.00 C ATOM 714 CG LYS A 45 12.961 -4.970 -0.772 1.00 0.00 C ATOM 715 CD LYS A 45 14.297 -5.373 -0.170 1.00 0.00 C ATOM 716 CE LYS A 45 15.159 -4.158 0.139 1.00 0.00 C ATOM 717 NZ LYS A 45 15.121 -3.803 1.584 1.00 0.00 N ATOM 0 H LYS A 45 11.729 -5.666 -3.812 1.00 0.00 H new ATOM 0 HA LYS A 45 11.145 -3.640 -1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.462 -5.258 -2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.907 -3.686 -2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.497 -4.204 -0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.289 -5.828 -0.776 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.128 -5.943 0.744 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.826 -6.029 -0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.188 -4.358 -0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.815 -3.309 -0.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.389 -2.805 1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.160 -3.950 1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.788 -4.405 2.107 1.00 0.00 H new ATOM 731 N ASP A 46 12.634 -2.638 -4.720 1.00 0.00 N ATOM 732 CA ASP A 46 12.973 -1.459 -5.509 1.00 0.00 C ATOM 733 C ASP A 46 11.718 -0.815 -6.092 1.00 0.00 C ATOM 734 O ASP A 46 11.650 0.403 -6.250 1.00 0.00 O ATOM 735 CB ASP A 46 13.941 -1.834 -6.634 1.00 0.00 C ATOM 736 CG ASP A 46 15.138 -0.906 -6.700 1.00 0.00 C ATOM 737 OD1 ASP A 46 15.052 0.213 -6.150 1.00 0.00 O ATOM 738 OD2 ASP A 46 16.161 -1.296 -7.301 1.00 0.00 O ATOM 0 H ASP A 46 12.798 -3.525 -5.196 1.00 0.00 H new ATOM 0 HA ASP A 46 13.456 -0.737 -4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.286 -2.857 -6.487 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.413 -1.810 -7.587 1.00 0.00 H new ATOM 743 N ALA A 47 10.729 -1.643 -6.410 1.00 0.00 N ATOM 744 CA ALA A 47 9.477 -1.154 -6.975 1.00 0.00 C ATOM 745 C ALA A 47 8.682 -0.358 -5.946 1.00 0.00 C ATOM 746 O ALA A 47 7.945 0.565 -6.294 1.00 0.00 O ATOM 747 CB ALA A 47 8.647 -2.315 -7.502 1.00 0.00 C ATOM 0 H ALA A 47 10.770 -2.655 -6.286 1.00 0.00 H new ATOM 0 HA ALA A 47 9.718 -0.487 -7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.715 -1.935 -7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.206 -2.840 -8.277 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.424 -3.003 -6.686 1.00 0.00 H new ATOM 753 N LEU A 48 8.836 -0.720 -4.676 1.00 0.00 N ATOM 754 CA LEU A 48 8.132 -0.041 -3.596 1.00 0.00 C ATOM 755 C LEU A 48 8.499 1.439 -3.553 1.00 0.00 C ATOM 756 O LEU A 48 7.653 2.291 -3.276 1.00 0.00 O ATOM 757 CB LEU A 48 8.460 -0.696 -2.253 1.00 0.00 C ATOM 758 CG LEU A 48 7.685 -0.143 -1.056 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.212 -0.506 -1.158 1.00 0.00 C ATOM 760 CD2 LEU A 48 8.274 -0.664 0.247 1.00 0.00 C ATOM 0 H LEU A 48 9.443 -1.481 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 48 7.062 -0.128 -3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.264 -1.765 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.527 -0.580 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 48 7.771 0.944 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.678 -0.104 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.796 -0.084 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.105 -1.591 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.710 -0.260 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.219 -1.752 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.316 -0.353 0.326 1.00 0.00 H new ATOM 772 N ASP A 49 9.763 1.740 -3.830 1.00 0.00 N ATOM 773 CA ASP A 49 10.241 3.117 -3.823 1.00 0.00 C ATOM 774 C ASP A 49 9.499 3.957 -4.858 1.00 0.00 C ATOM 775 O ASP A 49 9.053 5.067 -4.567 1.00 0.00 O ATOM 776 CB ASP A 49 11.745 3.159 -4.101 1.00 0.00 C ATOM 777 CG ASP A 49 12.380 4.459 -3.651 1.00 0.00 C ATOM 778 OD1 ASP A 49 11.851 5.532 -4.007 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.407 4.404 -2.941 1.00 0.00 O ATOM 0 H ASP A 49 10.475 1.048 -4.062 1.00 0.00 H new ATOM 0 HA ASP A 49 10.048 3.536 -2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.229 2.326 -3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.918 3.024 -5.169 1.00 0.00 H new ATOM 784 N GLY A 50 9.370 3.420 -6.066 1.00 0.00 N ATOM 785 CA GLY A 50 8.681 4.134 -7.126 1.00 0.00 C ATOM 786 C GLY A 50 7.174 4.089 -6.970 1.00 0.00 C ATOM 787 O GLY A 50 6.470 4.995 -7.417 1.00 0.00 O ATOM 0 H GLY A 50 9.730 2.503 -6.331 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.012 5.173 -7.135 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.957 3.704 -8.089 1.00 0.00 H new ATOM 791 N LEU A 51 6.676 3.033 -6.337 1.00 0.00 N ATOM 792 CA LEU A 51 5.242 2.874 -6.124 1.00 0.00 C ATOM 793 C LEU A 51 4.743 3.823 -5.040 1.00 0.00 C ATOM 794 O LEU A 51 3.679 4.428 -5.171 1.00 0.00 O ATOM 795 CB LEU A 51 4.919 1.428 -5.742 1.00 0.00 C ATOM 796 CG LEU A 51 3.589 0.897 -6.282 1.00 0.00 C ATOM 797 CD1 LEU A 51 3.818 0.031 -7.511 1.00 0.00 C ATOM 798 CD2 LEU A 51 2.849 0.113 -5.207 1.00 0.00 C ATOM 0 H LEU A 51 7.244 2.274 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 51 4.733 3.118 -7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.722 0.785 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.910 1.349 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 51 2.973 1.748 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.861 -0.337 -7.880 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.303 0.622 -8.287 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.454 -0.814 -7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.906 -0.256 -5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.461 -0.730 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.650 0.763 -4.355 1.00 0.00 H new ATOM 810 N LEU A 52 5.517 3.946 -3.966 1.00 0.00 N ATOM 811 CA LEU A 52 5.153 4.821 -2.858 1.00 0.00 C ATOM 812 C LEU A 52 5.053 6.272 -3.319 1.00 0.00 C ATOM 813 O LEU A 52 4.070 6.956 -3.038 1.00 0.00 O ATOM 814 CB LEU A 52 6.180 4.703 -1.731 1.00 0.00 C ATOM 815 CG LEU A 52 5.968 3.519 -0.785 1.00 0.00 C ATOM 816 CD1 LEU A 52 7.213 3.279 0.056 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.759 3.760 0.107 1.00 0.00 C ATOM 0 H LEU A 52 6.400 3.451 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 52 4.177 4.509 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.174 4.623 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.164 5.623 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 52 5.781 2.628 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.044 2.433 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.058 3.062 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.430 4.169 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.623 2.908 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.917 4.662 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.870 3.883 -0.511 1.00 0.00 H new ATOM 829 N GLN A 53 6.078 6.736 -4.027 1.00 0.00 N ATOM 830 CA GLN A 53 6.105 8.106 -4.525 1.00 0.00 C ATOM 831 C GLN A 53 4.892 8.397 -5.406 1.00 0.00 C ATOM 832 O GLN A 53 4.474 9.547 -5.540 1.00 0.00 O ATOM 833 CB GLN A 53 7.392 8.356 -5.314 1.00 0.00 C ATOM 834 CG GLN A 53 8.633 8.449 -4.440 1.00 0.00 C ATOM 835 CD GLN A 53 8.717 9.761 -3.685 1.00 0.00 C ATOM 836 OE1 GLN A 53 8.676 9.786 -2.455 1.00 0.00 O ATOM 837 NE2 GLN A 53 8.835 10.861 -4.420 1.00 0.00 N ATOM 0 H GLN A 53 6.900 6.183 -4.268 1.00 0.00 H new ATOM 0 HA GLN A 53 6.073 8.776 -3.666 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.527 7.552 -6.038 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.287 9.281 -5.881 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.634 7.624 -3.728 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.521 8.335 -5.062 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.865 10.794 -5.437 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.896 11.773 -3.967 1.00 0.00 H new ATOM 846 N GLN A 54 4.333 7.351 -6.005 1.00 0.00 N ATOM 847 CA GLN A 54 3.170 7.501 -6.873 1.00 0.00 C ATOM 848 C GLN A 54 1.874 7.329 -6.087 1.00 0.00 C ATOM 849 O GLN A 54 1.025 8.221 -6.067 1.00 0.00 O ATOM 850 CB GLN A 54 3.229 6.486 -8.018 1.00 0.00 C ATOM 851 CG GLN A 54 3.551 7.108 -9.366 1.00 0.00 C ATOM 852 CD GLN A 54 2.320 7.648 -10.067 1.00 0.00 C ATOM 853 OE1 GLN A 54 1.638 6.927 -10.795 1.00 0.00 O ATOM 854 NE2 GLN A 54 2.029 8.926 -9.852 1.00 0.00 N ATOM 0 H GLN A 54 4.665 6.392 -5.906 1.00 0.00 H new ATOM 0 HA GLN A 54 3.186 8.508 -7.289 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.982 5.732 -7.786 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.271 5.970 -8.085 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.269 7.916 -9.227 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.029 6.362 -10.001 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.621 9.488 -9.241 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.213 9.345 -10.298 1.00 0.00 H new ATOM 863 N VAL A 55 1.725 6.177 -5.442 1.00 0.00 N ATOM 864 CA VAL A 55 0.530 5.887 -4.658 1.00 0.00 C ATOM 865 C VAL A 55 0.754 6.185 -3.178 1.00 0.00 C ATOM 866 O VAL A 55 0.259 5.468 -2.308 1.00 0.00 O ATOM 867 CB VAL A 55 0.099 4.417 -4.815 1.00 0.00 C ATOM 868 CG1 VAL A 55 -0.324 4.134 -6.247 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.222 3.483 -4.388 1.00 0.00 C ATOM 0 H VAL A 55 2.418 5.428 -5.447 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.261 6.533 -5.039 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.758 4.238 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.625 3.090 -6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.162 4.778 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.512 4.330 -6.919 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.899 2.449 -4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.100 3.662 -5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.472 3.668 -3.343 1.00 0.00 H new ATOM 879 N ALA A 56 1.500 7.249 -2.898 1.00 0.00 N ATOM 880 CA ALA A 56 1.786 7.641 -1.523 1.00 0.00 C ATOM 881 C ALA A 56 2.598 8.931 -1.477 1.00 0.00 C ATOM 882 O ALA A 56 3.208 9.330 -2.469 1.00 0.00 O ATOM 883 CB ALA A 56 2.525 6.527 -0.798 1.00 0.00 C ATOM 0 H ALA A 56 1.917 7.855 -3.605 1.00 0.00 H new ATOM 0 HA ALA A 56 0.836 7.821 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.731 6.834 0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.910 5.627 -0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.464 6.320 -1.311 1.00 0.00 H new ATOM 889 N ASN A 57 2.600 9.581 -0.318 1.00 0.00 N ATOM 890 CA ASN A 57 3.335 10.826 -0.139 1.00 0.00 C ATOM 891 C ASN A 57 4.189 10.777 1.124 1.00 0.00 C ATOM 892 O ASN A 57 3.666 10.751 2.238 1.00 0.00 O ATOM 893 CB ASN A 57 2.368 12.010 -0.068 1.00 0.00 C ATOM 894 CG ASN A 57 1.737 12.321 -1.411 1.00 0.00 C ATOM 895 OD1 ASN A 57 0.415 12.210 -1.484 1.00 0.00 O flip ATOM 896 ND2 ASN A 57 2.428 12.657 -2.372 1.00 0.00 N flip ATOM 0 H ASN A 57 2.099 9.265 0.513 1.00 0.00 H new ATOM 0 HA ASN A 57 3.994 10.955 -0.998 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.584 11.792 0.657 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.901 12.890 0.293 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.440 12.730 -2.272 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.988 12.863 -3.269 1.00 0.00 H new ATOM 903 N MET A 58 5.506 10.763 0.942 1.00 0.00 N ATOM 904 CA MET A 58 6.432 10.716 2.067 1.00 0.00 C ATOM 905 C MET A 58 6.473 12.055 2.795 1.00 0.00 C ATOM 906 O MET A 58 6.187 13.100 2.210 1.00 0.00 O ATOM 907 CB MET A 58 7.834 10.341 1.585 1.00 0.00 C ATOM 908 CG MET A 58 8.843 10.185 2.710 1.00 0.00 C ATOM 909 SD MET A 58 10.495 9.778 2.110 1.00 0.00 S ATOM 910 CE MET A 58 10.249 8.092 1.558 1.00 0.00 C ATOM 0 H MET A 58 5.955 10.784 0.026 1.00 0.00 H new ATOM 0 HA MET A 58 6.079 9.955 2.764 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.779 9.407 1.026 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.188 11.106 0.894 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.887 11.110 3.284 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.505 9.403 3.390 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.200 7.559 1.581 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.538 7.594 2.217 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.859 8.096 0.540 1.00 0.00 H new ATOM 920 N SER A 59 6.832 12.016 4.075 1.00 0.00 N ATOM 921 CA SER A 59 6.911 13.228 4.883 1.00 0.00 C ATOM 922 C SER A 59 8.354 13.704 5.010 1.00 0.00 C ATOM 923 O SER A 59 9.274 13.075 4.486 1.00 0.00 O ATOM 924 CB SER A 59 6.320 12.978 6.272 1.00 0.00 C ATOM 925 OG SER A 59 6.221 14.185 7.009 1.00 0.00 O ATOM 0 H SER A 59 7.072 11.159 4.574 1.00 0.00 H new ATOM 0 HA SER A 59 6.334 14.006 4.384 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.333 12.526 6.175 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.944 12.268 6.814 1.00 0.00 H new ATOM 0 HG SER A 59 5.839 13.999 7.892 1.00 0.00 H new ATOM 931 N ALA A 60 8.545 14.818 5.708 1.00 0.00 N ATOM 932 CA ALA A 60 9.876 15.379 5.904 1.00 0.00 C ATOM 933 C ALA A 60 10.239 15.430 7.383 1.00 0.00 C ATOM 934 O ALA A 60 11.377 15.151 7.764 1.00 0.00 O ATOM 935 CB ALA A 60 9.958 16.768 5.290 1.00 0.00 C ATOM 0 H ALA A 60 7.794 15.350 6.148 1.00 0.00 H new ATOM 0 HA ALA A 60 10.594 14.729 5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.957 17.175 5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.752 16.706 4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.224 17.419 5.764 1.00 0.00 H new ATOM 941 N LYS A 61 9.266 15.787 8.215 1.00 0.00 N ATOM 942 CA LYS A 61 9.483 15.875 9.654 1.00 0.00 C ATOM 943 C LYS A 61 9.922 14.528 10.221 1.00 0.00 C ATOM 944 O LYS A 61 10.865 14.453 11.009 1.00 0.00 O ATOM 945 CB LYS A 61 8.209 16.346 10.355 1.00 0.00 C ATOM 946 CG LYS A 61 8.394 16.611 11.841 1.00 0.00 C ATOM 947 CD LYS A 61 7.145 16.255 12.631 1.00 0.00 C ATOM 948 CE LYS A 61 7.479 15.903 14.071 1.00 0.00 C ATOM 949 NZ LYS A 61 6.405 15.091 14.708 1.00 0.00 N ATOM 0 H LYS A 61 8.319 16.020 7.917 1.00 0.00 H new ATOM 0 HA LYS A 61 10.277 16.600 9.833 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.855 17.257 9.873 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.432 15.593 10.223 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.238 16.031 12.213 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.637 17.662 11.997 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.450 17.094 12.612 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.641 15.413 12.157 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.418 15.350 14.101 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.629 16.819 14.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.671 14.872 15.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.514 15.628 14.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.279 14.205 14.178 1.00 0.00 H new ATOM 963 N ASP A 62 9.232 13.468 9.816 1.00 0.00 N ATOM 964 CA ASP A 62 9.549 12.123 10.284 1.00 0.00 C ATOM 965 C ASP A 62 10.077 11.261 9.142 1.00 0.00 C ATOM 966 O ASP A 62 11.135 10.643 9.256 1.00 0.00 O ATOM 967 CB ASP A 62 8.313 11.470 10.903 1.00 0.00 C ATOM 968 CG ASP A 62 7.931 12.096 12.230 1.00 0.00 C ATOM 969 OD1 ASP A 62 8.526 11.713 13.259 1.00 0.00 O ATOM 970 OD2 ASP A 62 7.038 12.968 12.239 1.00 0.00 O ATOM 0 H ASP A 62 8.449 13.514 9.164 1.00 0.00 H new ATOM 0 HA ASP A 62 10.326 12.204 11.044 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.476 11.554 10.210 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.501 10.406 11.047 1.00 0.00 H new ATOM 975 N GLY A 63 9.332 11.225 8.042 1.00 0.00 N ATOM 976 CA GLY A 63 9.741 10.435 6.895 1.00 0.00 C ATOM 977 C GLY A 63 8.808 9.270 6.628 1.00 0.00 C ATOM 978 O GLY A 63 9.227 8.238 6.105 1.00 0.00 O ATOM 0 H GLY A 63 8.453 11.728 7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.780 11.074 6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.750 10.057 7.060 1.00 0.00 H new ATOM 982 N THR A 64 7.540 9.436 6.990 1.00 0.00 N ATOM 983 CA THR A 64 6.545 8.390 6.786 1.00 0.00 C ATOM 984 C THR A 64 5.804 8.593 5.468 1.00 0.00 C ATOM 985 O THR A 64 5.718 9.710 4.959 1.00 0.00 O ATOM 986 CB THR A 64 5.549 8.371 7.947 1.00 0.00 C ATOM 987 OG1 THR A 64 6.224 8.218 9.184 1.00 0.00 O ATOM 988 CG2 THR A 64 4.527 7.261 7.841 1.00 0.00 C ATOM 0 H THR A 64 7.178 10.284 7.426 1.00 0.00 H new ATOM 0 HA THR A 64 7.064 7.432 6.746 1.00 0.00 H new ATOM 0 HB THR A 64 5.028 9.327 7.897 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.571 8.210 9.914 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.852 7.305 8.696 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.955 7.379 6.921 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.036 6.297 7.830 1.00 0.00 H new ATOM 996 N CYS A 65 5.270 7.506 4.921 1.00 0.00 N ATOM 997 CA CYS A 65 4.536 7.565 3.663 1.00 0.00 C ATOM 998 C CYS A 65 3.031 7.528 3.909 1.00 0.00 C ATOM 999 O CYS A 65 2.510 6.574 4.487 1.00 0.00 O ATOM 1000 CB CYS A 65 4.950 6.406 2.753 1.00 0.00 C ATOM 1001 SG CYS A 65 5.414 6.911 1.080 1.00 0.00 S ATOM 0 H CYS A 65 5.332 6.573 5.330 1.00 0.00 H new ATOM 0 HA CYS A 65 4.780 8.507 3.171 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.790 5.882 3.209 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.126 5.695 2.691 1.00 0.00 H new ATOM 0 HG CYS A 65 6.570 6.400 0.778 1.00 0.00 H new ATOM 1007 N THR A 66 2.338 8.572 3.466 1.00 0.00 N ATOM 1008 CA THR A 66 0.892 8.658 3.639 1.00 0.00 C ATOM 1009 C THR A 66 0.174 8.496 2.304 1.00 0.00 C ATOM 1010 O THR A 66 0.529 9.137 1.315 1.00 0.00 O ATOM 1011 CB THR A 66 0.513 9.997 4.276 1.00 0.00 C ATOM 1012 OG1 THR A 66 1.272 11.052 3.713 1.00 0.00 O ATOM 1013 CG2 THR A 66 0.725 10.028 5.774 1.00 0.00 C ATOM 0 H THR A 66 2.754 9.370 2.985 1.00 0.00 H new ATOM 0 HA THR A 66 0.581 7.848 4.299 1.00 0.00 H new ATOM 0 HB THR A 66 -0.550 10.123 4.073 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.473 10.846 2.776 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.437 11.005 6.162 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.115 9.257 6.244 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.776 9.845 5.997 1.00 0.00 H new ATOM 1021 N LEU A 67 -0.837 7.635 2.283 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.606 7.388 1.069 1.00 0.00 C ATOM 1023 C LEU A 67 -2.297 8.661 0.594 1.00 0.00 C ATOM 1024 O LEU A 67 -2.649 9.525 1.397 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.645 6.290 1.313 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.319 5.746 0.052 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.538 4.566 -0.505 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -4.756 5.344 0.350 1.00 0.00 C ATOM 0 H LEU A 67 -1.143 7.096 3.093 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.916 7.060 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.162 5.463 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.415 6.681 1.979 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.330 6.534 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.033 4.193 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.526 4.885 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.494 3.773 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.222 4.959 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.766 4.571 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.311 6.213 0.702 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.490 8.770 -0.716 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.140 9.938 -1.300 1.00 0.00 C ATOM 1042 C GLN A 68 -4.650 9.878 -1.093 1.00 0.00 C ATOM 1043 O GLN A 68 -5.195 8.839 -0.722 1.00 0.00 O ATOM 1044 CB GLN A 68 -2.819 10.034 -2.792 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.353 9.799 -3.115 1.00 0.00 C ATOM 1046 CD GLN A 68 -0.946 10.400 -4.446 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -1.792 10.717 -5.284 1.00 0.00 O ATOM 1048 NE2 GLN A 68 0.357 10.562 -4.649 1.00 0.00 N ATOM 0 H GLN A 68 -2.205 8.063 -1.394 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.758 10.826 -0.797 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.423 9.305 -3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.109 11.020 -3.155 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.737 10.227 -2.324 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.155 8.727 -3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.024 10.286 -3.928 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.691 10.963 -5.526 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.320 11.000 -1.336 1.00 0.00 N ATOM 1058 CA ASP A 69 -6.768 11.075 -1.177 1.00 0.00 C ATOM 1059 C ASP A 69 -7.482 10.427 -2.360 1.00 0.00 C ATOM 1060 O ASP A 69 -8.574 9.879 -2.214 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.212 12.532 -1.035 1.00 0.00 C ATOM 1062 CG ASP A 69 -6.667 13.413 -2.142 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -5.469 13.763 -2.087 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -7.437 13.753 -3.064 1.00 0.00 O ATOM 0 H ASP A 69 -4.884 11.869 -1.644 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.036 10.530 -0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.301 12.579 -1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.880 12.918 -0.071 1.00 0.00 H new ATOM 1069 N CYS A 70 -6.857 10.494 -3.531 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.433 9.913 -4.739 1.00 0.00 C ATOM 1071 C CYS A 70 -7.164 8.412 -4.805 1.00 0.00 C ATOM 1072 O CYS A 70 -7.951 7.656 -5.376 1.00 0.00 O ATOM 1073 CB CYS A 70 -6.864 10.601 -5.981 1.00 0.00 C ATOM 1074 SG CYS A 70 -8.066 10.835 -7.311 1.00 0.00 S ATOM 0 H CYS A 70 -5.952 10.944 -3.669 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.511 10.068 -4.708 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -6.463 11.573 -5.693 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.029 10.011 -6.360 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.491 11.426 -8.316 1.00 0.00 H new ATOM 1080 N MET A 71 -6.049 7.988 -4.220 1.00 0.00 N ATOM 1081 CA MET A 71 -5.678 6.578 -4.214 1.00 0.00 C ATOM 1082 C MET A 71 -6.658 5.756 -3.383 1.00 0.00 C ATOM 1083 O MET A 71 -6.818 4.555 -3.603 1.00 0.00 O ATOM 1084 CB MET A 71 -4.259 6.405 -3.669 1.00 0.00 C ATOM 1085 CG MET A 71 -3.178 6.890 -4.620 1.00 0.00 C ATOM 1086 SD MET A 71 -3.220 6.043 -6.211 1.00 0.00 S ATOM 1087 CE MET A 71 -3.433 4.343 -5.685 1.00 0.00 C ATOM 0 H MET A 71 -5.387 8.601 -3.744 1.00 0.00 H new ATOM 0 HA MET A 71 -5.713 6.217 -5.242 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.172 6.947 -2.727 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.090 5.351 -3.447 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.295 7.962 -4.780 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.201 6.741 -4.160 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.162 3.673 -6.501 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.793 4.145 -4.825 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.474 4.175 -5.409 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.314 6.407 -2.426 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.278 5.732 -1.563 1.00 0.00 C ATOM 1099 C TYR A 72 -9.365 5.047 -2.387 1.00 0.00 C ATOM 1100 O TYR A 72 -9.920 4.028 -1.975 1.00 0.00 O ATOM 1101 CB TYR A 72 -8.912 6.732 -0.592 1.00 0.00 C ATOM 1102 CG TYR A 72 -8.205 6.812 0.742 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -8.399 5.835 1.712 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.345 7.863 1.033 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.755 5.904 2.932 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -6.698 7.939 2.250 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.906 6.958 3.197 1.00 0.00 C ATOM 1108 OH TYR A 72 -6.262 7.031 4.411 1.00 0.00 O ATOM 0 H TYR A 72 -7.195 7.401 -2.229 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.746 4.969 -0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.915 7.720 -1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.953 6.454 -0.426 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.064 5.009 1.508 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.180 8.634 0.295 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.916 5.136 3.675 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.032 8.763 2.460 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.138 6.128 4.770 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.663 5.612 -3.552 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.683 5.055 -4.433 1.00 0.00 C ATOM 1120 C LYS A 73 -10.301 3.649 -4.884 1.00 0.00 C ATOM 1121 O LYS A 73 -11.163 2.790 -5.073 1.00 0.00 O ATOM 1122 CB LYS A 73 -10.883 5.957 -5.652 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.116 7.416 -5.296 1.00 0.00 C ATOM 1124 CD LYS A 73 -12.114 8.068 -6.241 1.00 0.00 C ATOM 1125 CE LYS A 73 -13.544 7.691 -5.887 1.00 0.00 C ATOM 1126 NZ LYS A 73 -14.360 7.408 -7.100 1.00 0.00 N ATOM 0 H LYS A 73 -9.213 6.455 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.618 4.998 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.006 5.884 -6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.733 5.592 -6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.483 7.488 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.170 7.957 -5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.001 9.151 -6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.899 7.764 -7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.539 6.814 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.004 8.501 -5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.328 7.155 -6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.387 8.253 -7.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.936 6.618 -7.627 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.003 3.420 -5.055 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.505 2.118 -5.485 1.00 0.00 C ATOM 1142 C ASP A 74 -8.745 1.059 -4.413 1.00 0.00 C ATOM 1143 O ASP A 74 -8.851 -0.129 -4.716 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.013 2.203 -5.809 1.00 0.00 C ATOM 1145 CG ASP A 74 -6.750 2.835 -7.162 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -7.191 2.262 -8.181 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -6.102 3.902 -7.204 1.00 0.00 O ATOM 0 H ASP A 74 -8.276 4.119 -4.902 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.050 1.828 -6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.509 2.783 -5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.582 1.202 -5.789 1.00 0.00 H new ATOM 1152 N VAL A 75 -8.828 1.496 -3.159 1.00 0.00 N ATOM 1153 CA VAL A 75 -9.054 0.582 -2.045 1.00 0.00 C ATOM 1154 C VAL A 75 -10.338 -0.219 -2.241 1.00 0.00 C ATOM 1155 O VAL A 75 -11.393 0.343 -2.537 1.00 0.00 O ATOM 1156 CB VAL A 75 -9.134 1.338 -0.705 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -9.220 0.361 0.459 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -7.939 2.267 -0.541 1.00 0.00 C ATOM 0 H VAL A 75 -8.742 2.476 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.204 -0.100 -2.019 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.040 1.944 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.276 0.915 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.111 -0.258 0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.335 -0.275 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.014 2.792 0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.019 1.683 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.927 2.992 -1.355 1.00 0.00 H new ATOM 1168 N GLN A 76 -10.240 -1.534 -2.077 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.393 -2.411 -2.236 1.00 0.00 C ATOM 1170 C GLN A 76 -12.134 -2.582 -0.914 1.00 0.00 C ATOM 1171 O GLN A 76 -11.753 -2.003 0.102 1.00 0.00 O ATOM 1172 CB GLN A 76 -10.952 -3.777 -2.766 1.00 0.00 C ATOM 1173 CG GLN A 76 -10.188 -3.702 -4.079 1.00 0.00 C ATOM 1174 CD GLN A 76 -9.011 -4.657 -4.123 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -8.534 -5.122 -3.088 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -8.537 -4.956 -5.328 1.00 0.00 N ATOM 0 H GLN A 76 -9.374 -2.015 -1.834 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.071 -1.951 -2.955 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.326 -4.263 -2.018 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.832 -4.406 -2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.865 -3.927 -4.903 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.831 -2.683 -4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.963 -4.547 -6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.747 -5.594 -5.421 1.00 0.00 H new ATOM 1185 N LYS A 77 -13.195 -3.383 -0.936 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.990 -3.632 0.261 1.00 0.00 C ATOM 1187 C LYS A 77 -14.069 -5.125 0.561 1.00 0.00 C ATOM 1188 O LYS A 77 -15.067 -5.609 1.095 1.00 0.00 O ATOM 1189 CB LYS A 77 -15.399 -3.060 0.091 1.00 0.00 C ATOM 1190 CG LYS A 77 -16.087 -3.507 -1.188 1.00 0.00 C ATOM 1191 CD LYS A 77 -17.574 -3.193 -1.159 1.00 0.00 C ATOM 1192 CE LYS A 77 -18.132 -3.010 -2.561 1.00 0.00 C ATOM 1193 NZ LYS A 77 -17.627 -1.765 -3.203 1.00 0.00 N ATOM 0 H LYS A 77 -13.524 -3.870 -1.770 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.502 -3.136 1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.008 -3.358 0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.344 -1.971 0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.626 -3.012 -2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.943 -4.579 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -18.108 -4.000 -0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -17.744 -2.287 -0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.862 -3.870 -3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.221 -2.980 -2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -18.278 -1.476 -3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.566 -1.008 -2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.684 -1.940 -3.605 1.00 0.00 H new ATOM 1207 N ASP A 78 -13.010 -5.850 0.215 1.00 0.00 N ATOM 1208 CA ASP A 78 -12.960 -7.289 0.447 1.00 0.00 C ATOM 1209 C ASP A 78 -11.517 -7.781 0.498 1.00 0.00 C ATOM 1210 O ASP A 78 -11.221 -8.910 0.107 1.00 0.00 O ATOM 1211 CB ASP A 78 -13.730 -8.030 -0.648 1.00 0.00 C ATOM 1212 CG ASP A 78 -14.826 -8.916 -0.087 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -15.664 -8.406 0.685 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -14.845 -10.119 -0.421 1.00 0.00 O ATOM 0 H ASP A 78 -12.175 -5.465 -0.227 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.427 -7.495 1.410 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.168 -7.305 -1.334 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.036 -8.638 -1.228 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.622 -6.926 0.983 1.00 0.00 N ATOM 1220 CA TRP A 79 -9.209 -7.274 1.085 1.00 0.00 C ATOM 1221 C TRP A 79 -8.997 -8.390 2.108 1.00 0.00 C ATOM 1222 O TRP A 79 -9.316 -8.228 3.286 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.389 -6.044 1.480 1.00 0.00 C ATOM 1224 CG TRP A 79 -6.912 -6.291 1.483 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -6.085 -6.303 2.570 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -6.085 -6.559 0.345 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -4.794 -6.563 2.176 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -4.769 -6.724 0.816 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.330 -6.678 -1.026 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -3.702 -7.001 -0.036 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.270 -6.952 -1.870 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -3.970 -7.111 -1.372 1.00 0.00 C ATOM 0 H TRP A 79 -10.850 -5.988 1.311 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.875 -7.629 0.110 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.613 -5.230 0.790 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.697 -5.714 2.472 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.399 -6.133 3.589 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.986 -6.626 2.796 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.329 -6.558 -1.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.699 -7.124 0.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -5.447 -7.045 -2.931 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.163 -7.325 -2.058 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.452 -9.542 1.674 1.00 0.00 N ATOM 1244 CA PRO A 80 -8.202 -10.680 2.566 1.00 0.00 C ATOM 1245 C PRO A 80 -7.401 -10.283 3.801 1.00 0.00 C ATOM 1246 O PRO A 80 -7.491 -10.929 4.846 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.398 -11.648 1.696 1.00 0.00 C ATOM 1248 CG PRO A 80 -7.782 -11.309 0.297 1.00 0.00 C ATOM 1249 CD PRO A 80 -8.038 -9.828 0.287 1.00 0.00 C ATOM 0 HA PRO A 80 -9.129 -11.104 2.952 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.326 -11.525 1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.638 -12.685 1.932 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.987 -11.573 -0.401 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.671 -11.861 -0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.145 -9.268 0.011 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.816 -9.560 -0.428 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.615 -9.218 3.677 1.00 0.00 N ATOM 1258 CA GLY A 81 -5.809 -8.755 4.791 1.00 0.00 C ATOM 1259 C GLY A 81 -6.643 -8.419 6.012 1.00 0.00 C ATOM 1260 O GLY A 81 -6.372 -8.903 7.110 1.00 0.00 O ATOM 0 H GLY A 81 -6.522 -8.667 2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.081 -9.523 5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.246 -7.873 4.486 1.00 0.00 H new ATOM 1264 N TYR A 82 -7.661 -7.586 5.819 1.00 0.00 N ATOM 1265 CA TYR A 82 -8.538 -7.186 6.914 1.00 0.00 C ATOM 1266 C TYR A 82 -9.388 -8.360 7.386 1.00 0.00 C ATOM 1267 O TYR A 82 -9.227 -9.486 6.916 1.00 0.00 O ATOM 1268 CB TYR A 82 -9.441 -6.031 6.475 1.00 0.00 C ATOM 1269 CG TYR A 82 -8.697 -4.906 5.789 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.475 -4.458 6.274 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -9.219 -4.293 4.657 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -6.793 -3.431 5.650 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.542 -3.265 4.027 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.331 -2.839 4.527 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.654 -1.815 3.904 1.00 0.00 O ATOM 0 H TYR A 82 -7.899 -7.175 4.916 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.914 -6.855 7.745 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.205 -6.415 5.799 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.958 -5.634 7.348 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.051 -4.920 7.153 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.168 -4.624 4.263 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.844 -3.094 6.040 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.960 -2.798 3.147 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.770 -1.711 4.313 1.00 0.00 H new ATOM 1285 N SER A 83 -10.294 -8.089 8.321 1.00 0.00 N ATOM 1286 CA SER A 83 -11.170 -9.125 8.857 1.00 0.00 C ATOM 1287 C SER A 83 -12.447 -8.514 9.428 1.00 0.00 C ATOM 1288 O SER A 83 -13.548 -8.799 8.956 1.00 0.00 O ATOM 1289 CB SER A 83 -10.447 -9.924 9.941 1.00 0.00 C ATOM 1290 OG SER A 83 -10.857 -11.281 9.935 1.00 0.00 O ATOM 0 H SER A 83 -10.440 -7.163 8.722 1.00 0.00 H new ATOM 0 HA SER A 83 -11.440 -9.795 8.041 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.370 -9.866 9.783 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.650 -9.484 10.917 1.00 0.00 H new ATOM 0 HG SER A 83 -10.379 -11.770 10.636 1.00 0.00 H new ATOM 1296 N GLU A 84 -12.292 -7.674 10.445 1.00 0.00 N ATOM 1297 CA GLU A 84 -13.432 -7.023 11.079 1.00 0.00 C ATOM 1298 C GLU A 84 -13.063 -5.625 11.562 1.00 0.00 C ATOM 1299 O GLU A 84 -13.689 -4.638 11.176 1.00 0.00 O ATOM 1300 CB GLU A 84 -13.937 -7.864 12.254 1.00 0.00 C ATOM 1301 CG GLU A 84 -14.351 -9.273 11.861 1.00 0.00 C ATOM 1302 CD GLU A 84 -14.680 -10.140 13.061 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -15.857 -10.152 13.479 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -13.761 -10.806 13.581 1.00 0.00 O ATOM 0 H GLU A 84 -11.388 -7.428 10.848 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.225 -6.933 10.337 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.155 -7.922 13.011 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.787 -7.359 12.712 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.220 -9.223 11.205 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.547 -9.738 11.291 1.00 0.00 H new ATOM 1311 N GLY A 85 -12.041 -5.547 12.409 1.00 0.00 N ATOM 1312 CA GLY A 85 -11.606 -4.265 12.931 1.00 0.00 C ATOM 1313 C GLY A 85 -11.053 -3.356 11.851 1.00 0.00 C ATOM 1314 O GLY A 85 -11.481 -2.210 11.716 1.00 0.00 O ATOM 0 H GLY A 85 -11.507 -6.349 12.743 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.446 -3.772 13.421 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.842 -4.426 13.692 1.00 0.00 H new ATOM 1318 N ASP A 86 -10.098 -3.869 11.082 1.00 0.00 N ATOM 1319 CA ASP A 86 -9.484 -3.095 10.009 1.00 0.00 C ATOM 1320 C ASP A 86 -10.527 -2.663 8.983 1.00 0.00 C ATOM 1321 O ASP A 86 -10.433 -1.580 8.406 1.00 0.00 O ATOM 1322 CB ASP A 86 -8.387 -3.914 9.325 1.00 0.00 C ATOM 1323 CG ASP A 86 -7.228 -4.217 10.255 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -6.730 -3.278 10.908 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -6.820 -5.395 10.329 1.00 0.00 O ATOM 0 H ASP A 86 -9.733 -4.816 11.182 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.041 -2.201 10.448 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.810 -4.850 8.959 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.019 -3.369 8.456 1.00 0.00 H new ATOM 1330 N GLN A 87 -11.520 -3.518 8.760 1.00 0.00 N ATOM 1331 CA GLN A 87 -12.580 -3.225 7.803 1.00 0.00 C ATOM 1332 C GLN A 87 -13.366 -1.986 8.222 1.00 0.00 C ATOM 1333 O GLN A 87 -13.546 -1.058 7.435 1.00 0.00 O ATOM 1334 CB GLN A 87 -13.525 -4.422 7.675 1.00 0.00 C ATOM 1335 CG GLN A 87 -12.831 -5.698 7.227 1.00 0.00 C ATOM 1336 CD GLN A 87 -13.775 -6.659 6.530 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -14.870 -6.282 6.117 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -13.351 -7.911 6.395 1.00 0.00 N ATOM 0 H GLN A 87 -11.612 -4.419 9.229 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.117 -3.030 6.836 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.007 -4.599 8.637 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -14.314 -4.178 6.963 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.012 -5.445 6.553 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.390 -6.191 8.093 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.435 -8.181 6.753 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.942 -8.603 5.933 1.00 0.00 H new ATOM 1347 N GLN A 88 -13.832 -1.981 9.467 1.00 0.00 N ATOM 1348 CA GLN A 88 -14.599 -0.856 9.990 1.00 0.00 C ATOM 1349 C GLN A 88 -13.759 0.416 10.011 1.00 0.00 C ATOM 1350 O GLN A 88 -14.282 1.520 9.864 1.00 0.00 O ATOM 1351 CB GLN A 88 -15.105 -1.169 11.400 1.00 0.00 C ATOM 1352 CG GLN A 88 -16.252 -2.166 11.427 1.00 0.00 C ATOM 1353 CD GLN A 88 -17.595 -1.517 11.155 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -17.873 -0.415 11.629 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -18.438 -2.199 10.388 1.00 0.00 N ATOM 0 H GLN A 88 -13.692 -2.742 10.131 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.452 -0.694 9.331 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.280 -1.561 11.995 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -15.428 -0.243 11.875 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -16.071 -2.943 10.684 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.280 -2.656 12.400 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -18.167 -3.109 10.016 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -19.357 -1.813 10.171 1.00 0.00 H new ATOM 1364 N LEU A 89 -12.452 0.254 10.194 1.00 0.00 N ATOM 1365 CA LEU A 89 -11.538 1.391 10.234 1.00 0.00 C ATOM 1366 C LEU A 89 -11.423 2.045 8.861 1.00 0.00 C ATOM 1367 O LEU A 89 -11.511 3.266 8.735 1.00 0.00 O ATOM 1368 CB LEU A 89 -10.157 0.944 10.717 1.00 0.00 C ATOM 1369 CG LEU A 89 -9.282 2.058 11.297 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -9.432 2.121 12.808 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -7.826 1.847 10.911 1.00 0.00 C ATOM 0 H LEU A 89 -12.002 -0.653 10.317 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.940 2.125 10.933 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.286 0.172 11.476 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.628 0.485 9.882 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.613 3.009 10.880 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.803 2.919 13.203 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.473 2.320 13.062 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.128 1.169 13.244 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.218 2.648 11.332 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.482 0.888 11.299 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.733 1.853 9.825 1.00 0.00 H new ATOM 1383 N LEU A 90 -11.224 1.224 7.835 1.00 0.00 N ATOM 1384 CA LEU A 90 -11.094 1.722 6.469 1.00 0.00 C ATOM 1385 C LEU A 90 -12.322 2.530 6.059 1.00 0.00 C ATOM 1386 O LEU A 90 -12.233 3.436 5.231 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.890 0.558 5.498 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.724 0.959 4.030 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -9.253 1.142 3.692 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -11.358 -0.082 3.119 1.00 0.00 C ATOM 0 H LEU A 90 -11.149 0.211 7.923 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.224 2.377 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.008 -0.003 5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.742 -0.117 5.580 1.00 0.00 H new ATOM 0 HG LEU A 90 -11.233 1.910 3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.153 1.427 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.829 1.924 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.721 0.207 3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.231 0.219 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.877 -1.047 3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -12.421 -0.165 3.345 1.00 0.00 H new ATOM 1402 N LYS A 91 -13.468 2.195 6.643 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.714 2.890 6.336 1.00 0.00 C ATOM 1404 C LYS A 91 -14.652 4.347 6.783 1.00 0.00 C ATOM 1405 O LYS A 91 -14.824 5.262 5.977 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.893 2.187 7.011 1.00 0.00 C ATOM 1407 CG LYS A 91 -16.380 0.958 6.259 1.00 0.00 C ATOM 1408 CD LYS A 91 -17.141 0.012 7.174 1.00 0.00 C ATOM 1409 CE LYS A 91 -18.642 0.228 7.075 1.00 0.00 C ATOM 1410 NZ LYS A 91 -19.288 -0.765 6.173 1.00 0.00 N ATOM 0 H LYS A 91 -13.560 1.447 7.331 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.855 2.868 5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.601 1.894 8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.718 2.893 7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -17.024 1.265 5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.529 0.437 5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.903 -1.019 6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -16.818 0.162 8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -19.085 0.158 8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.840 1.235 6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.311 -0.583 6.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.884 -0.681 5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -19.121 -1.725 6.537 1.00 0.00 H new ATOM 1424 N ARG A 92 -14.409 4.555 8.072 1.00 0.00 N ATOM 1425 CA ARG A 92 -14.328 5.902 8.628 1.00 0.00 C ATOM 1426 C ARG A 92 -13.218 6.705 7.958 1.00 0.00 C ATOM 1427 O ARG A 92 -13.353 7.911 7.744 1.00 0.00 O ATOM 1428 CB ARG A 92 -14.088 5.840 10.138 1.00 0.00 C ATOM 1429 CG ARG A 92 -12.784 5.159 10.518 1.00 0.00 C ATOM 1430 CD ARG A 92 -12.462 5.354 11.992 1.00 0.00 C ATOM 1431 NE ARG A 92 -12.646 4.124 12.759 1.00 0.00 N ATOM 1432 CZ ARG A 92 -12.522 4.050 14.083 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -12.214 5.132 14.788 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -12.708 2.893 14.703 1.00 0.00 N ATOM 0 H ARG A 92 -14.265 3.809 8.752 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.277 6.402 8.437 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -14.090 6.853 10.540 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.916 5.309 10.608 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.851 4.094 10.297 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.972 5.560 9.911 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.432 5.696 12.096 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.101 6.136 12.402 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.883 3.272 12.251 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.071 6.025 14.316 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.120 5.070 15.802 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.946 2.059 14.166 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.613 2.837 15.717 1.00 0.00 H new ATOM 1448 N VAL A 93 -12.121 6.032 7.628 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.988 6.685 6.984 1.00 0.00 C ATOM 1450 C VAL A 93 -11.384 7.261 5.628 1.00 0.00 C ATOM 1451 O VAL A 93 -11.009 8.383 5.287 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.811 5.710 6.791 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.589 6.442 6.257 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -9.486 4.999 8.097 1.00 0.00 C ATOM 0 H VAL A 93 -11.993 5.034 7.796 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.674 7.495 7.643 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.104 4.959 6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.769 5.735 6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.829 6.899 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.292 7.217 6.963 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.652 4.315 7.941 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.215 5.735 8.854 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.358 4.438 8.433 1.00 0.00 H new ATOM 1464 N LEU A 94 -12.141 6.487 4.859 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.587 6.920 3.539 1.00 0.00 C ATOM 1466 C LEU A 94 -13.559 8.091 3.650 1.00 0.00 C ATOM 1467 O LEU A 94 -13.609 8.953 2.773 1.00 0.00 O ATOM 1468 CB LEU A 94 -13.250 5.761 2.796 1.00 0.00 C ATOM 1469 CG LEU A 94 -12.284 4.807 2.089 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -12.895 3.419 1.974 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -11.915 5.346 0.715 1.00 0.00 C ATOM 0 H LEU A 94 -12.459 5.556 5.127 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.712 7.249 2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.847 5.189 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.939 6.170 2.057 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.374 4.732 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.195 2.754 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.109 3.032 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.820 3.475 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.228 4.656 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.816 5.450 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.436 6.319 0.823 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.330 8.113 4.731 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.302 9.177 4.954 1.00 0.00 C ATOM 1485 C VAL A 95 -14.611 10.506 5.238 1.00 0.00 C ATOM 1486 O VAL A 95 -15.155 11.573 4.951 1.00 0.00 O ATOM 1487 CB VAL A 95 -16.245 8.841 6.127 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -17.348 9.882 6.243 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -16.833 7.446 5.959 1.00 0.00 C ATOM 0 H VAL A 95 -14.301 7.407 5.466 1.00 0.00 H new ATOM 0 HA VAL A 95 -15.888 9.264 4.039 1.00 0.00 H new ATOM 0 HB VAL A 95 -15.665 8.857 7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -18.003 9.627 7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -16.906 10.863 6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -17.927 9.903 5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.496 7.227 6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.397 7.399 5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -16.027 6.712 5.933 1.00 0.00 H new ATOM 1499 N ARG A 96 -13.410 10.438 5.803 1.00 0.00 N ATOM 1500 CA ARG A 96 -12.648 11.638 6.125 1.00 0.00 C ATOM 1501 C ARG A 96 -11.988 12.222 4.880 1.00 0.00 C ATOM 1502 O ARG A 96 -11.753 13.428 4.799 1.00 0.00 O ATOM 1503 CB ARG A 96 -11.583 11.324 7.179 1.00 0.00 C ATOM 1504 CG ARG A 96 -11.372 12.445 8.183 1.00 0.00 C ATOM 1505 CD ARG A 96 -12.377 12.370 9.321 1.00 0.00 C ATOM 1506 NE ARG A 96 -12.471 13.631 10.052 1.00 0.00 N ATOM 1507 CZ ARG A 96 -13.121 14.702 9.604 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -13.736 14.670 8.428 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -13.158 15.809 10.333 1.00 0.00 N ATOM 0 H ARG A 96 -12.944 9.564 6.047 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.342 12.378 6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -11.869 10.418 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.638 11.114 6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.360 12.389 8.585 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.462 13.408 7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.357 12.108 8.922 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.089 11.574 10.007 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.011 13.694 10.960 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.712 13.821 7.863 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.233 15.494 8.090 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.688 15.840 11.238 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.656 16.630 9.989 1.00 0.00 H new ATOM 1523 N LYS A 97 -11.691 11.361 3.911 1.00 0.00 N ATOM 1524 CA LYS A 97 -11.056 11.797 2.672 1.00 0.00 C ATOM 1525 C LYS A 97 -12.091 12.012 1.572 1.00 0.00 C ATOM 1526 O LYS A 97 -12.127 13.068 0.940 1.00 0.00 O ATOM 1527 CB LYS A 97 -10.019 10.769 2.217 1.00 0.00 C ATOM 1528 CG LYS A 97 -9.074 10.328 3.323 1.00 0.00 C ATOM 1529 CD LYS A 97 -8.056 11.409 3.649 1.00 0.00 C ATOM 1530 CE LYS A 97 -7.189 11.019 4.836 1.00 0.00 C ATOM 1531 NZ LYS A 97 -5.875 11.717 4.817 1.00 0.00 N ATOM 0 H LYS A 97 -11.879 10.360 3.960 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.558 12.747 2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.536 9.894 1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.436 11.191 1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.647 10.085 4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.556 9.418 3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.424 11.589 2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.573 12.344 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.713 11.257 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.028 9.941 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.314 11.424 5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.364 11.470 3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.028 12.745 4.850 1.00 0.00 H new ATOM 1545 N LEU A 98 -12.929 11.006 1.347 1.00 0.00 N ATOM 1546 CA LEU A 98 -13.963 11.085 0.320 1.00 0.00 C ATOM 1547 C LEU A 98 -14.881 12.280 0.559 1.00 0.00 C ATOM 1548 O LEU A 98 -15.057 13.125 -0.319 1.00 0.00 O ATOM 1549 CB LEU A 98 -14.784 9.795 0.292 1.00 0.00 C ATOM 1550 CG LEU A 98 -14.029 8.555 -0.191 1.00 0.00 C ATOM 1551 CD1 LEU A 98 -14.959 7.353 -0.249 1.00 0.00 C ATOM 1552 CD2 LEU A 98 -13.402 8.812 -1.553 1.00 0.00 C ATOM 0 H LEU A 98 -12.913 10.126 1.862 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.471 11.216 -0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -15.163 9.602 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -15.650 9.948 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 98 -13.232 8.337 0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -14.405 6.480 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -15.362 7.157 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -15.778 7.559 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.869 7.920 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -14.183 9.054 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.704 9.646 -1.481 1.00 0.00 H new ATOM 1564 N SER A 99 -15.464 12.345 1.750 1.00 0.00 N ATOM 1565 CA SER A 99 -16.366 13.436 2.102 1.00 0.00 C ATOM 1566 C SER A 99 -15.589 14.626 2.657 1.00 0.00 C ATOM 1567 O SER A 99 -15.055 14.570 3.764 1.00 0.00 O ATOM 1568 CB SER A 99 -17.398 12.962 3.127 1.00 0.00 C ATOM 1569 OG SER A 99 -18.514 12.367 2.488 1.00 0.00 O ATOM 0 H SER A 99 -15.329 11.655 2.489 1.00 0.00 H new ATOM 0 HA SER A 99 -16.884 13.753 1.197 1.00 0.00 H new ATOM 0 HB2 SER A 99 -16.938 12.244 3.806 1.00 0.00 H new ATOM 0 HB3 SER A 99 -17.729 13.806 3.732 1.00 0.00 H new ATOM 0 HG SER A 99 -19.159 12.071 3.164 1.00 0.00 H new ATOM 1575 N GLY A 100 -15.532 15.703 1.879 1.00 0.00 N ATOM 1576 CA GLY A 100 -14.819 16.891 2.310 1.00 0.00 C ATOM 1577 C GLY A 100 -13.323 16.786 2.083 1.00 0.00 C ATOM 1578 O GLY A 100 -12.537 17.011 3.003 1.00 0.00 O ATOM 0 H GLY A 100 -15.967 15.774 0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -15.205 17.757 1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -15.011 17.062 3.369 1.00 0.00 H new ATOM 1582 N PRO A 101 -12.894 16.443 0.856 1.00 0.00 N ATOM 1583 CA PRO A 101 -11.472 16.311 0.524 1.00 0.00 C ATOM 1584 C PRO A 101 -10.770 17.662 0.435 1.00 0.00 C ATOM 1585 O PRO A 101 -9.668 17.837 0.956 1.00 0.00 O ATOM 1586 CB PRO A 101 -11.492 15.628 -0.843 1.00 0.00 C ATOM 1587 CG PRO A 101 -12.792 16.031 -1.447 1.00 0.00 C ATOM 1588 CD PRO A 101 -13.762 16.156 -0.303 1.00 0.00 C ATOM 0 HA PRO A 101 -10.924 15.756 1.286 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.652 15.950 -1.459 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -11.419 14.545 -0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.697 16.976 -1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -13.134 15.289 -2.168 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.482 16.957 -0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -14.333 15.239 -0.159 1.00 0.00 H new ATOM 1596 N SER A 102 -11.414 18.616 -0.230 1.00 0.00 N ATOM 1597 CA SER A 102 -10.851 19.951 -0.388 1.00 0.00 C ATOM 1598 C SER A 102 -11.449 20.918 0.628 1.00 0.00 C ATOM 1599 O SER A 102 -12.307 20.542 1.427 1.00 0.00 O ATOM 1600 CB SER A 102 -11.098 20.466 -1.807 1.00 0.00 C ATOM 1601 OG SER A 102 -10.016 20.144 -2.663 1.00 0.00 O ATOM 0 H SER A 102 -12.326 18.489 -0.668 1.00 0.00 H new ATOM 0 HA SER A 102 -9.777 19.888 -0.213 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.018 20.032 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.239 21.547 -1.785 1.00 0.00 H new ATOM 0 HG SER A 102 -10.200 20.483 -3.564 1.00 0.00 H new ATOM 1607 N SER A 103 -10.990 22.165 0.591 1.00 0.00 N ATOM 1608 CA SER A 103 -11.480 23.187 1.509 1.00 0.00 C ATOM 1609 C SER A 103 -12.009 24.396 0.745 1.00 0.00 C ATOM 1610 O SER A 103 -11.237 25.199 0.221 1.00 0.00 O ATOM 1611 CB SER A 103 -10.365 23.621 2.464 1.00 0.00 C ATOM 1612 OG SER A 103 -9.181 23.941 1.753 1.00 0.00 O ATOM 0 H SER A 103 -10.280 22.492 -0.064 1.00 0.00 H new ATOM 0 HA SER A 103 -12.299 22.758 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.692 24.486 3.041 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.160 22.822 3.177 1.00 0.00 H new ATOM 0 HG SER A 103 -9.399 24.534 1.004 1.00 0.00 H new ATOM 1618 N GLY A 104 -13.331 24.518 0.684 1.00 0.00 N ATOM 1619 CA GLY A 104 -13.942 25.631 -0.019 1.00 0.00 C ATOM 1620 C GLY A 104 -14.543 25.218 -1.348 1.00 0.00 C ATOM 1621 O GLY A 104 -14.669 26.086 -2.238 1.00 0.00 O ATOM 1622 OXT GLY A 104 -14.889 24.028 -1.499 1.00 0.00 O ATOM 0 H GLY A 104 -13.990 23.866 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.719 26.069 0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.194 26.405 -0.187 1.00 0.00 H new TER 1626 GLY A 104