USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 845 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 89 CYS SG : rot 75:sc= -1.9! USER MOD Set 1.2: A 100 SER OG : rot -27:sc= -1.98! USER MOD Set 2.1: A 43 LYS NZ :NH3+ -168:sc= 0.226 (180deg=0.179) USER MOD Set 2.2: A 56 HIS : no HE2:sc= 0.81 K(o=1,f=-2.9!) USER MOD Single : A 1 ASP N :NH3+ -111:sc= 1.74 (180deg=0.615) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.791 K(o=0.79,f=-0.0065) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0011 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00614) USER MOD Single : A 40 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.14) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0409 X(o=-0.041,f=0.17) USER MOD Single : A 58 GLN : amide:sc= -3.32 K(o=-3.3,f=-1.6) USER MOD Single : A 60 HIS : no HE2:sc= 0.187 K(o=0.19,f=-7.2!) USER MOD Single : A 62 SER OG : rot 72:sc= 0.659 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 122:sc= 1.09 USER MOD Single : A 68 LYS NZ :NH3+ 172:sc= -0.105 (180deg=-0.498) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.3!) USER MOD Single : A 77 THR OG1 : rot 80:sc= 0.558 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0.022) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 30:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -35:sc= -5.76! USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= -3.29! (180deg=-3.39!) USER MOD Single : A 96 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.06) USER MOD Single : A 99 CYS SG : rot -11:sc= -0.117 USER MOD Single : A 101 ASN : amide:sc= -2.54! K(o=-2.5!,f=-0.13) USER MOD Single : A 103 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.27) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0.223 K(o=0.22,f=-4.5!) USER MOD Single : A 110 MET CE :methyl -161:sc= -0.128 (180deg=-0.637) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -18.611 -11.222 0.996 1.00 0.92 N ATOM 2 CA ASP A 1 -18.218 -10.135 0.068 1.00 0.81 C ATOM 3 C ASP A 1 -19.364 -9.816 -0.860 1.00 0.80 C ATOM 4 O ASP A 1 -19.924 -10.697 -1.506 1.00 0.99 O ATOM 5 CB ASP A 1 -17.009 -10.556 -0.772 1.00 0.90 C ATOM 6 CG ASP A 1 -15.942 -11.269 0.027 1.00 1.34 C ATOM 7 OD1 ASP A 1 -16.222 -12.366 0.547 1.00 1.68 O ATOM 8 OD2 ASP A 1 -14.820 -10.730 0.136 1.00 1.93 O ATOM 0 H1 ASP A 1 -18.696 -10.842 1.960 1.00 0.92 H new ATOM 0 H2 ASP A 1 -19.525 -11.619 0.699 1.00 0.92 H new ATOM 0 H3 ASP A 1 -17.888 -11.969 0.981 1.00 0.92 H new ATOM 0 HA ASP A 1 -17.959 -9.257 0.660 1.00 0.81 H new ATOM 0 HB2 ASP A 1 -17.345 -11.208 -1.578 1.00 0.90 H new ATOM 0 HB3 ASP A 1 -16.574 -9.672 -1.238 1.00 0.90 H new ATOM 13 N ASP A 2 -19.724 -8.555 -0.894 1.00 0.70 N ATOM 14 CA ASP A 2 -20.690 -8.042 -1.818 1.00 0.72 C ATOM 15 C ASP A 2 -19.976 -7.553 -3.075 1.00 0.70 C ATOM 16 O ASP A 2 -18.740 -7.464 -3.085 1.00 0.75 O ATOM 17 CB ASP A 2 -21.383 -6.887 -1.130 1.00 0.79 C ATOM 18 CG ASP A 2 -22.386 -7.314 -0.085 1.00 1.04 C ATOM 19 OD1 ASP A 2 -23.535 -7.639 -0.442 1.00 1.11 O ATOM 20 OD2 ASP A 2 -22.020 -7.297 1.110 1.00 1.65 O ATOM 0 H ASP A 2 -19.342 -7.848 -0.265 1.00 0.70 H new ATOM 0 HA ASP A 2 -21.411 -8.806 -2.109 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -20.632 -6.252 -0.661 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -21.890 -6.280 -1.880 1.00 0.79 H new ATOM 25 N PRO A 3 -20.714 -7.227 -4.150 1.00 0.71 N ATOM 26 CA PRO A 3 -20.129 -6.637 -5.355 1.00 0.72 C ATOM 27 C PRO A 3 -19.664 -5.204 -5.110 1.00 0.66 C ATOM 28 O PRO A 3 -20.373 -4.243 -5.404 1.00 0.97 O ATOM 29 CB PRO A 3 -21.267 -6.669 -6.387 1.00 0.84 C ATOM 30 CG PRO A 3 -22.323 -7.541 -5.789 1.00 0.94 C ATOM 31 CD PRO A 3 -22.163 -7.425 -4.300 1.00 0.81 C ATOM 0 HA PRO A 3 -19.245 -7.182 -5.685 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -21.649 -5.667 -6.581 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -20.921 -7.069 -7.340 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -23.317 -7.220 -6.101 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -22.206 -8.575 -6.114 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.731 -6.588 -3.895 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.506 -8.322 -3.784 1.00 0.81 H new ATOM 39 N ILE A 4 -18.481 -5.081 -4.523 1.00 0.45 N ATOM 40 CA ILE A 4 -17.875 -3.789 -4.241 1.00 0.41 C ATOM 41 C ILE A 4 -16.807 -3.493 -5.272 1.00 0.41 C ATOM 42 O ILE A 4 -16.902 -2.530 -6.034 1.00 0.50 O ATOM 43 CB ILE A 4 -17.245 -3.757 -2.817 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.297 -3.413 -1.770 1.00 0.42 C ATOM 45 CG2 ILE A 4 -16.088 -2.772 -2.715 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.326 -4.486 -1.589 1.00 0.46 C ATOM 0 H ILE A 4 -17.914 -5.877 -4.229 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.657 -3.031 -4.285 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.852 -4.756 -2.629 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.803 -3.228 -0.816 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.795 -2.486 -2.056 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.684 -2.788 -1.703 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.307 -3.053 -3.422 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.443 -1.768 -2.948 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -20.044 -4.177 -0.830 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.845 -4.655 -2.532 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.838 -5.408 -1.273 1.00 0.46 H new ATOM 58 N GLY A 5 -15.795 -4.340 -5.285 1.00 0.36 N ATOM 59 CA GLY A 5 -14.671 -4.125 -6.159 1.00 0.39 C ATOM 60 C GLY A 5 -13.581 -3.454 -5.392 1.00 0.33 C ATOM 61 O GLY A 5 -12.904 -2.559 -5.883 1.00 0.33 O ATOM 0 H GLY A 5 -15.733 -5.175 -4.703 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.319 -5.075 -6.560 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -14.967 -3.510 -7.009 1.00 0.39 H new ATOM 65 N LEU A 6 -13.433 -3.926 -4.170 1.00 0.32 N ATOM 66 CA LEU A 6 -12.555 -3.344 -3.180 1.00 0.29 C ATOM 67 C LEU A 6 -11.145 -3.245 -3.727 1.00 0.29 C ATOM 68 O LEU A 6 -10.396 -2.314 -3.432 1.00 0.33 O ATOM 69 CB LEU A 6 -12.586 -4.243 -1.956 1.00 0.29 C ATOM 70 CG LEU A 6 -12.385 -3.554 -0.623 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.450 -2.497 -0.397 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.415 -4.582 0.479 1.00 0.28 C ATOM 0 H LEU A 6 -13.935 -4.747 -3.831 1.00 0.32 H new ATOM 0 HA LEU A 6 -12.883 -2.337 -2.920 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.545 -4.761 -1.934 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.815 -5.005 -2.069 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.416 -3.055 -0.622 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.286 -2.015 0.567 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.396 -1.751 -1.190 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.434 -2.965 -0.406 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.271 -4.089 1.440 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.378 -5.093 0.474 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.618 -5.309 0.320 1.00 0.28 H new ATOM 84 N PHE A 7 -10.811 -4.217 -4.545 1.00 0.30 N ATOM 85 CA PHE A 7 -9.542 -4.256 -5.212 1.00 0.32 C ATOM 86 C PHE A 7 -9.691 -3.708 -6.629 1.00 0.29 C ATOM 87 O PHE A 7 -9.919 -4.448 -7.587 1.00 0.32 O ATOM 88 CB PHE A 7 -9.024 -5.690 -5.203 1.00 0.41 C ATOM 89 CG PHE A 7 -7.823 -5.884 -4.337 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.831 -5.457 -3.017 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.689 -6.501 -4.833 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.729 -5.638 -2.212 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.583 -6.678 -4.032 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.605 -6.243 -2.722 1.00 0.61 C ATOM 0 H PHE A 7 -11.420 -5.005 -4.764 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.815 -3.629 -4.695 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.819 -6.353 -4.862 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.778 -5.986 -6.223 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.712 -4.977 -2.616 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.671 -6.847 -5.856 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -6.748 -5.306 -1.184 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.700 -7.157 -4.428 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.736 -6.379 -2.095 1.00 0.61 H new ATOM 104 N VAL A 8 -9.611 -2.387 -6.723 1.00 0.28 N ATOM 105 CA VAL A 8 -9.736 -1.682 -7.996 1.00 0.34 C ATOM 106 C VAL A 8 -8.407 -1.684 -8.735 1.00 0.44 C ATOM 107 O VAL A 8 -8.332 -1.971 -9.930 1.00 0.63 O ATOM 108 CB VAL A 8 -10.165 -0.213 -7.783 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.527 0.445 -9.107 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.318 -0.119 -6.795 1.00 0.33 C ATOM 0 H VAL A 8 -9.458 -1.774 -5.922 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.496 -2.202 -8.579 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.317 0.326 -7.360 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.826 1.478 -8.930 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.663 0.426 -9.771 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.352 -0.097 -9.569 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.600 0.926 -6.663 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.171 -0.680 -7.177 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.010 -0.535 -5.836 1.00 0.33 H new ATOM 120 N MET A 9 -7.362 -1.371 -7.996 1.00 0.43 N ATOM 121 CA MET A 9 -6.020 -1.263 -8.548 1.00 0.65 C ATOM 122 C MET A 9 -5.025 -1.393 -7.421 1.00 0.44 C ATOM 123 O MET A 9 -5.201 -0.798 -6.355 1.00 0.44 O ATOM 124 CB MET A 9 -5.817 0.061 -9.273 1.00 1.05 C ATOM 125 CG MET A 9 -4.515 0.133 -10.055 1.00 1.45 C ATOM 126 SD MET A 9 -4.305 1.705 -10.909 1.00 2.35 S ATOM 127 CE MET A 9 -2.731 1.432 -11.723 1.00 2.88 C ATOM 0 H MET A 9 -7.416 -1.184 -6.995 1.00 0.43 H new ATOM 0 HA MET A 9 -5.874 -2.059 -9.278 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.651 0.223 -9.956 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.839 0.872 -8.545 1.00 1.05 H new ATOM 0 HG2 MET A 9 -3.678 -0.021 -9.374 1.00 1.45 H new ATOM 0 HG3 MET A 9 -4.487 -0.678 -10.783 1.00 1.45 H new ATOM 0 HE1 MET A 9 -2.459 2.318 -12.296 1.00 2.88 H new ATOM 0 HE2 MET A 9 -1.964 1.235 -10.974 1.00 2.88 H new ATOM 0 HE3 MET A 9 -2.812 0.577 -12.394 1.00 2.88 H new ATOM 137 N ARG A 10 -4.006 -2.185 -7.639 1.00 0.47 N ATOM 138 CA ARG A 10 -3.076 -2.533 -6.600 1.00 0.41 C ATOM 139 C ARG A 10 -1.655 -2.211 -7.011 1.00 0.39 C ATOM 140 O ARG A 10 -1.300 -2.306 -8.188 1.00 0.45 O ATOM 141 CB ARG A 10 -3.255 -4.009 -6.296 1.00 0.46 C ATOM 142 CG ARG A 10 -4.579 -4.273 -5.643 1.00 0.97 C ATOM 143 CD ARG A 10 -4.588 -3.722 -4.230 1.00 1.34 C ATOM 144 NE ARG A 10 -5.197 -2.407 -4.122 1.00 2.11 N ATOM 145 CZ ARG A 10 -5.330 -1.768 -2.971 1.00 2.72 C ATOM 146 NH1 ARG A 10 -4.799 -2.276 -1.864 1.00 2.74 N ATOM 147 NH2 ARG A 10 -5.973 -0.616 -2.922 1.00 3.67 N ATOM 0 H ARG A 10 -3.799 -2.607 -8.545 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.272 -1.947 -5.702 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -3.181 -4.584 -7.219 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -2.451 -4.348 -5.643 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -5.377 -3.813 -6.225 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -4.775 -5.345 -5.624 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -5.124 -4.416 -3.582 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -3.563 -3.670 -3.863 1.00 1.34 H new ATOM 0 HE ARG A 10 -5.537 -1.956 -4.972 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -4.289 -3.158 -1.902 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -4.901 -1.783 -0.977 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -6.369 -0.216 -3.773 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -6.074 -0.126 -2.033 1.00 3.67 H new ATOM 161 N PRO A 11 -0.830 -1.804 -6.044 1.00 0.43 N ATOM 162 CA PRO A 11 0.554 -1.485 -6.309 1.00 0.50 C ATOM 163 C PRO A 11 1.342 -2.744 -6.614 1.00 0.47 C ATOM 164 O PRO A 11 0.919 -3.852 -6.278 1.00 0.54 O ATOM 165 CB PRO A 11 1.051 -0.817 -5.030 1.00 0.62 C ATOM 166 CG PRO A 11 0.078 -1.167 -3.968 1.00 0.64 C ATOM 167 CD PRO A 11 -1.186 -1.652 -4.626 1.00 0.53 C ATOM 0 HA PRO A 11 0.673 -0.836 -7.177 1.00 0.50 H new ATOM 0 HB2 PRO A 11 2.050 -1.168 -4.772 1.00 0.62 H new ATOM 0 HB3 PRO A 11 1.116 0.264 -5.156 1.00 0.62 H new ATOM 0 HG2 PRO A 11 0.488 -1.939 -3.317 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -0.129 -0.299 -3.342 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -1.519 -2.597 -4.197 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.000 -0.939 -4.496 1.00 0.53 H new ATOM 175 N GLN A 12 2.468 -2.575 -7.266 1.00 0.44 N ATOM 176 CA GLN A 12 3.244 -3.685 -7.749 1.00 0.43 C ATOM 177 C GLN A 12 4.660 -3.600 -7.221 1.00 0.37 C ATOM 178 O GLN A 12 4.969 -2.711 -6.430 1.00 0.40 O ATOM 179 CB GLN A 12 3.215 -3.658 -9.264 1.00 0.55 C ATOM 180 CG GLN A 12 1.808 -3.792 -9.809 1.00 0.73 C ATOM 181 CD GLN A 12 1.269 -5.210 -9.693 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.413 -6.011 -10.616 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.687 -5.552 -8.548 1.00 1.32 N ATOM 0 H GLN A 12 2.870 -1.661 -7.475 1.00 0.44 H new ATOM 0 HA GLN A 12 2.824 -4.628 -7.398 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.653 -2.725 -9.618 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.833 -4.468 -9.653 1.00 0.55 H new ATOM 0 HG2 GLN A 12 1.148 -3.111 -9.272 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.797 -3.487 -10.856 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.583 -4.863 -7.803 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.344 -6.503 -8.414 1.00 1.32 H new ATOM 192 N ASP A 13 5.505 -4.527 -7.641 1.00 0.34 N ATOM 193 CA ASP A 13 6.835 -4.611 -7.198 1.00 0.33 C ATOM 194 C ASP A 13 7.651 -3.445 -7.697 1.00 0.36 C ATOM 195 O ASP A 13 7.150 -2.363 -8.010 1.00 0.50 O ATOM 196 CB ASP A 13 7.414 -5.912 -7.747 1.00 0.35 C ATOM 197 CG ASP A 13 7.182 -6.076 -9.241 1.00 1.04 C ATOM 198 OD1 ASP A 13 6.090 -6.536 -9.636 1.00 1.03 O ATOM 199 OD2 ASP A 13 8.095 -5.748 -10.029 1.00 2.06 O ATOM 0 H ASP A 13 5.252 -5.248 -8.317 1.00 0.34 H new ATOM 0 HA ASP A 13 6.864 -4.590 -6.109 1.00 0.33 H new ATOM 0 HB2 ASP A 13 8.485 -5.942 -7.545 1.00 0.35 H new ATOM 0 HB3 ASP A 13 6.967 -6.755 -7.220 1.00 0.35 H new ATOM 204 N GLY A 14 8.901 -3.723 -7.825 1.00 0.30 N ATOM 205 CA GLY A 14 9.857 -2.718 -8.152 1.00 0.30 C ATOM 206 C GLY A 14 11.221 -3.062 -7.639 1.00 0.25 C ATOM 207 O GLY A 14 11.388 -3.583 -6.537 1.00 0.28 O ATOM 0 H GLY A 14 9.293 -4.657 -7.706 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.896 -2.592 -9.234 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.540 -1.764 -7.731 1.00 0.30 H new ATOM 211 N GLU A 15 12.182 -2.791 -8.460 1.00 0.26 N ATOM 212 CA GLU A 15 13.580 -2.958 -8.110 1.00 0.25 C ATOM 213 C GLU A 15 14.250 -1.606 -8.099 1.00 0.23 C ATOM 214 O GLU A 15 14.360 -0.957 -9.141 1.00 0.30 O ATOM 215 CB GLU A 15 14.315 -3.864 -9.095 1.00 0.33 C ATOM 216 CG GLU A 15 13.898 -5.319 -9.054 1.00 0.69 C ATOM 217 CD GLU A 15 14.995 -6.221 -9.574 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.914 -6.562 -8.797 1.00 1.48 O ATOM 219 OE2 GLU A 15 14.922 -6.624 -10.755 1.00 1.53 O ATOM 0 H GLU A 15 12.031 -2.443 -9.407 1.00 0.26 H new ATOM 0 HA GLU A 15 13.623 -3.425 -7.126 1.00 0.25 H new ATOM 0 HB2 GLU A 15 14.156 -3.484 -10.104 1.00 0.33 H new ATOM 0 HB3 GLU A 15 15.385 -3.802 -8.895 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.649 -5.599 -8.031 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.997 -5.458 -9.651 1.00 0.69 H new ATOM 226 N VAL A 16 14.699 -1.175 -6.937 1.00 0.20 N ATOM 227 CA VAL A 16 15.245 0.108 -6.783 1.00 0.21 C ATOM 228 C VAL A 16 16.482 -0.036 -5.940 1.00 0.22 C ATOM 229 O VAL A 16 16.652 -1.012 -5.221 1.00 0.27 O ATOM 230 CB VAL A 16 14.254 1.070 -6.110 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.855 0.904 -6.689 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.249 0.905 -4.595 1.00 0.23 C ATOM 0 H VAL A 16 14.684 -1.730 -6.081 1.00 0.20 H new ATOM 0 HA VAL A 16 15.478 0.530 -7.760 1.00 0.21 H new ATOM 0 HB VAL A 16 14.587 2.086 -6.322 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.173 1.596 -6.196 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.876 1.115 -7.758 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.514 -0.119 -6.528 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.536 1.602 -4.155 1.00 0.23 H new ATOM 0 HG22 VAL A 16 13.962 -0.115 -4.341 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.245 1.110 -4.203 1.00 0.23 H new ATOM 242 N THR A 17 17.322 0.916 -6.055 1.00 0.23 N ATOM 243 CA THR A 17 18.578 0.936 -5.340 1.00 0.27 C ATOM 244 C THR A 17 18.384 1.611 -3.987 1.00 0.28 C ATOM 245 O THR A 17 17.428 2.374 -3.808 1.00 0.28 O ATOM 246 CB THR A 17 19.630 1.714 -6.135 1.00 0.35 C ATOM 247 OG1 THR A 17 19.277 1.717 -7.527 1.00 0.77 O ATOM 248 CG2 THR A 17 21.010 1.104 -5.966 1.00 0.56 C ATOM 0 H THR A 17 17.173 1.728 -6.654 1.00 0.23 H new ATOM 0 HA THR A 17 18.917 -0.091 -5.202 1.00 0.27 H new ATOM 0 HB THR A 17 19.657 2.735 -5.754 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.950 2.217 -8.034 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.735 1.679 -6.543 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.289 1.121 -4.912 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.998 0.074 -6.322 1.00 0.56 H new ATOM 256 N VAL A 18 19.265 1.328 -3.037 1.00 0.31 N ATOM 257 CA VAL A 18 19.241 2.017 -1.769 1.00 0.35 C ATOM 258 C VAL A 18 19.556 3.458 -2.005 1.00 0.36 C ATOM 259 O VAL A 18 20.676 3.858 -2.312 1.00 0.39 O ATOM 260 CB VAL A 18 20.244 1.516 -0.733 1.00 0.44 C ATOM 261 CG1 VAL A 18 19.998 2.192 0.606 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.218 0.007 -0.582 1.00 0.78 C ATOM 0 H VAL A 18 20.000 0.627 -3.127 1.00 0.31 H new ATOM 0 HA VAL A 18 18.244 1.838 -1.366 1.00 0.35 H new ATOM 0 HB VAL A 18 21.239 1.780 -1.092 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.720 1.826 1.336 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.109 3.271 0.495 1.00 0.76 H new ATOM 0 HG13 VAL A 18 18.988 1.965 0.948 1.00 0.76 H new ATOM 0 HG21 VAL A 18 20.950 -0.296 0.167 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.224 -0.310 -0.267 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.462 -0.458 -1.537 1.00 0.78 H new ATOM 272 N GLY A 19 18.531 4.192 -1.880 1.00 0.38 N ATOM 273 CA GLY A 19 18.610 5.625 -1.958 1.00 0.45 C ATOM 274 C GLY A 19 17.907 6.191 -3.170 1.00 0.40 C ATOM 275 O GLY A 19 18.055 7.375 -3.467 1.00 0.48 O ATOM 0 H GLY A 19 17.591 3.832 -1.718 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.174 6.057 -1.057 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.658 5.925 -1.980 1.00 0.45 H new ATOM 279 N GLY A 20 17.141 5.371 -3.892 1.00 0.32 N ATOM 280 CA GLY A 20 16.388 5.887 -4.979 1.00 0.32 C ATOM 281 C GLY A 20 15.032 6.274 -4.524 1.00 0.30 C ATOM 282 O GLY A 20 14.850 7.098 -3.632 1.00 0.44 O ATOM 0 H GLY A 20 17.042 4.369 -3.729 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.897 6.751 -5.406 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.315 5.139 -5.768 1.00 0.32 H new ATOM 286 N SER A 21 14.104 5.687 -5.170 1.00 0.24 N ATOM 287 CA SER A 21 12.736 5.836 -4.873 1.00 0.22 C ATOM 288 C SER A 21 11.963 4.611 -5.283 1.00 0.22 C ATOM 289 O SER A 21 12.438 3.775 -6.041 1.00 0.25 O ATOM 290 CB SER A 21 12.200 7.042 -5.577 1.00 0.30 C ATOM 291 OG SER A 21 12.608 7.080 -6.935 1.00 0.82 O ATOM 0 H SER A 21 14.284 5.062 -5.955 1.00 0.24 H new ATOM 0 HA SER A 21 12.623 5.964 -3.796 1.00 0.22 H new ATOM 0 HB2 SER A 21 11.111 7.041 -5.524 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.543 7.943 -5.068 1.00 0.30 H new ATOM 0 HG SER A 21 12.239 7.879 -7.365 1.00 0.82 H new ATOM 297 N ILE A 22 10.782 4.543 -4.757 1.00 0.22 N ATOM 298 CA ILE A 22 9.792 3.605 -5.129 1.00 0.24 C ATOM 299 C ILE A 22 8.450 4.258 -4.948 1.00 0.25 C ATOM 300 O ILE A 22 8.262 5.185 -4.160 1.00 0.27 O ATOM 301 CB ILE A 22 9.872 2.290 -4.354 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.924 1.251 -4.936 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.604 2.471 -2.871 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.275 0.809 -6.343 1.00 0.32 C ATOM 0 H ILE A 22 10.474 5.176 -4.019 1.00 0.22 H new ATOM 0 HA ILE A 22 9.956 3.327 -6.170 1.00 0.24 H new ATOM 0 HB ILE A 22 10.896 1.933 -4.459 1.00 0.25 H new ATOM 0 HG12 ILE A 22 8.916 0.377 -4.284 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.913 1.658 -4.937 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.673 1.506 -2.368 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.341 3.154 -2.449 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.605 2.883 -2.729 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.551 0.069 -6.683 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.254 1.670 -7.011 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.273 0.370 -6.348 1.00 0.32 H new ATOM 316 N THR A 23 7.560 3.825 -5.731 1.00 0.25 N ATOM 317 CA THR A 23 6.232 4.389 -5.745 1.00 0.23 C ATOM 318 C THR A 23 5.187 3.308 -5.865 1.00 0.24 C ATOM 319 O THR A 23 5.252 2.432 -6.726 1.00 0.28 O ATOM 320 CB THR A 23 6.037 5.424 -6.861 1.00 0.26 C ATOM 321 OG1 THR A 23 7.133 6.350 -6.861 1.00 0.31 O ATOM 322 CG2 THR A 23 4.727 6.184 -6.665 1.00 0.24 C ATOM 0 H THR A 23 7.704 3.065 -6.396 1.00 0.25 H new ATOM 0 HA THR A 23 6.112 4.906 -4.793 1.00 0.23 H new ATOM 0 HB THR A 23 6.000 4.901 -7.816 1.00 0.26 H new ATOM 0 HG1 THR A 23 7.005 7.008 -7.576 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.606 6.913 -7.466 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.893 5.482 -6.684 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.746 6.699 -5.705 1.00 0.24 H new ATOM 330 N PHE A 24 4.242 3.386 -4.975 1.00 0.24 N ATOM 331 CA PHE A 24 3.131 2.480 -4.929 1.00 0.27 C ATOM 332 C PHE A 24 1.840 3.276 -4.962 1.00 0.24 C ATOM 333 O PHE A 24 1.763 4.376 -4.430 1.00 0.30 O ATOM 334 CB PHE A 24 3.178 1.659 -3.648 1.00 0.40 C ATOM 335 CG PHE A 24 4.432 0.850 -3.465 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.608 -0.334 -4.160 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.434 1.277 -2.613 1.00 0.43 C ATOM 338 CE1 PHE A 24 5.760 -1.078 -4.009 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.590 0.536 -2.455 1.00 0.51 C ATOM 340 CZ PHE A 24 6.742 -0.646 -3.101 1.00 0.49 C ATOM 0 H PHE A 24 4.221 4.097 -4.244 1.00 0.24 H new ATOM 0 HA PHE A 24 3.181 1.809 -5.786 1.00 0.27 H new ATOM 0 HB2 PHE A 24 3.069 2.332 -2.797 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.322 0.985 -3.633 1.00 0.40 H new ATOM 0 HD1 PHE A 24 3.834 -0.680 -4.829 1.00 0.46 H new ATOM 0 HD2 PHE A 24 5.312 2.200 -2.065 1.00 0.43 H new ATOM 0 HE1 PHE A 24 5.906 -1.982 -4.582 1.00 0.53 H new ATOM 0 HE2 PHE A 24 7.378 0.901 -1.812 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.616 -1.254 -2.918 1.00 0.49 H new ATOM 350 N SER A 25 0.848 2.725 -5.603 1.00 0.28 N ATOM 351 CA SER A 25 -0.471 3.297 -5.623 1.00 0.28 C ATOM 352 C SER A 25 -1.491 2.189 -5.442 1.00 0.27 C ATOM 353 O SER A 25 -1.516 1.208 -6.181 1.00 0.31 O ATOM 354 CB SER A 25 -0.730 4.013 -6.932 1.00 0.35 C ATOM 355 OG SER A 25 0.465 4.574 -7.458 1.00 0.58 O ATOM 0 H SER A 25 0.932 1.857 -6.132 1.00 0.28 H new ATOM 0 HA SER A 25 -0.553 4.023 -4.814 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.155 3.315 -7.653 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.467 4.801 -6.779 1.00 0.35 H new ATOM 0 HG SER A 25 0.268 5.029 -8.304 1.00 0.58 H new ATOM 361 N ALA A 26 -2.316 2.366 -4.456 1.00 0.26 N ATOM 362 CA ALA A 26 -3.312 1.380 -4.074 1.00 0.26 C ATOM 363 C ALA A 26 -4.707 2.004 -4.093 1.00 0.22 C ATOM 364 O ALA A 26 -5.019 2.877 -3.294 1.00 0.25 O ATOM 365 CB ALA A 26 -2.981 0.833 -2.687 1.00 0.32 C ATOM 0 H ALA A 26 -2.326 3.207 -3.879 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.300 0.557 -4.789 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.728 0.093 -2.400 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -1.996 0.366 -2.706 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -2.982 1.649 -1.964 1.00 0.32 H new ATOM 371 N ARG A 27 -5.553 1.532 -4.995 1.00 0.22 N ATOM 372 CA ARG A 27 -6.884 2.103 -5.170 1.00 0.25 C ATOM 373 C ARG A 27 -7.934 1.185 -4.567 1.00 0.23 C ATOM 374 O ARG A 27 -7.947 -0.015 -4.851 1.00 0.31 O ATOM 375 CB ARG A 27 -7.177 2.317 -6.656 1.00 0.36 C ATOM 376 CG ARG A 27 -6.117 3.128 -7.376 1.00 0.28 C ATOM 377 CD ARG A 27 -6.473 3.340 -8.838 1.00 0.46 C ATOM 378 NE ARG A 27 -7.509 4.363 -9.012 1.00 1.22 N ATOM 379 CZ ARG A 27 -7.983 4.751 -10.196 1.00 1.55 C ATOM 380 NH1 ARG A 27 -7.550 4.166 -11.307 1.00 1.46 N ATOM 381 NH2 ARG A 27 -8.878 5.735 -10.268 1.00 2.43 N ATOM 0 H ARG A 27 -5.343 0.753 -5.620 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.918 3.065 -4.659 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.271 1.346 -7.142 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.139 2.820 -6.759 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.001 4.094 -6.885 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.157 2.617 -7.305 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -5.579 3.633 -9.389 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -6.818 2.399 -9.267 1.00 0.46 H new ATOM 0 HE ARG A 27 -7.890 4.805 -8.176 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -6.856 3.421 -11.254 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -7.912 4.462 -12.214 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -9.202 6.193 -9.416 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -9.239 6.030 -11.175 1.00 2.43 H new ATOM 395 N VAL A 28 -8.795 1.745 -3.730 1.00 0.19 N ATOM 396 CA VAL A 28 -9.813 0.984 -3.052 1.00 0.20 C ATOM 397 C VAL A 28 -11.169 1.589 -3.315 1.00 0.23 C ATOM 398 O VAL A 28 -11.391 2.787 -3.143 1.00 0.24 O ATOM 399 CB VAL A 28 -9.610 0.930 -1.532 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.588 -0.062 -0.915 1.00 0.26 C ATOM 401 CG2 VAL A 28 -8.172 0.571 -1.191 1.00 0.23 C ATOM 0 H VAL A 28 -8.801 2.740 -3.507 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.745 -0.031 -3.444 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.808 1.917 -1.113 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.439 -0.096 0.164 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.609 0.252 -1.131 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.416 -1.052 -1.336 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -8.052 0.539 -0.108 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.931 -0.405 -1.612 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.501 1.322 -1.608 1.00 0.23 H new ATOM 411 N ALA A 29 -12.044 0.745 -3.758 1.00 0.29 N ATOM 412 CA ALA A 29 -13.426 1.091 -3.984 1.00 0.32 C ATOM 413 C ALA A 29 -14.104 1.484 -2.689 1.00 0.34 C ATOM 414 O ALA A 29 -14.332 0.649 -1.815 1.00 0.40 O ATOM 415 CB ALA A 29 -14.162 -0.072 -4.608 1.00 0.38 C ATOM 0 H ALA A 29 -11.822 -0.226 -3.980 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.452 1.942 -4.664 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.204 0.203 -4.773 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.699 -0.327 -5.561 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.115 -0.932 -3.941 1.00 0.38 H new ATOM 421 N GLY A 30 -14.384 2.765 -2.576 1.00 0.35 N ATOM 422 CA GLY A 30 -15.158 3.269 -1.463 1.00 0.42 C ATOM 423 C GLY A 30 -16.423 2.465 -1.229 1.00 0.50 C ATOM 424 O GLY A 30 -16.656 1.986 -0.124 1.00 0.76 O ATOM 0 H GLY A 30 -14.086 3.477 -3.243 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.547 3.251 -0.561 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.421 4.310 -1.649 1.00 0.42 H new ATOM 428 N ALA A 31 -17.235 2.340 -2.277 1.00 0.49 N ATOM 429 CA ALA A 31 -18.468 1.554 -2.246 1.00 0.55 C ATOM 430 C ALA A 31 -19.448 2.008 -1.160 1.00 0.64 C ATOM 431 O ALA A 31 -19.333 3.101 -0.608 1.00 0.71 O ATOM 432 CB ALA A 31 -18.127 0.098 -2.047 1.00 0.58 C ATOM 0 H ALA A 31 -17.055 2.784 -3.178 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.969 1.707 -3.202 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -19.044 -0.491 -2.023 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -17.497 -0.244 -2.869 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.593 -0.025 -1.105 1.00 0.58 H new ATOM 438 N SER A 32 -20.442 1.172 -0.908 1.00 0.85 N ATOM 439 CA SER A 32 -21.363 1.358 0.200 1.00 0.96 C ATOM 440 C SER A 32 -21.065 0.317 1.275 1.00 1.01 C ATOM 441 O SER A 32 -20.984 -0.877 0.981 1.00 1.69 O ATOM 442 CB SER A 32 -22.802 1.238 -0.305 1.00 1.19 C ATOM 443 OG SER A 32 -22.887 0.279 -1.347 1.00 1.74 O ATOM 0 H SER A 32 -20.633 0.342 -1.469 1.00 0.85 H new ATOM 0 HA SER A 32 -21.239 2.350 0.634 1.00 0.96 H new ATOM 0 HB2 SER A 32 -23.458 0.950 0.516 1.00 1.19 H new ATOM 0 HB3 SER A 32 -23.149 2.206 -0.666 1.00 1.19 H new ATOM 0 HG SER A 32 -23.814 0.214 -1.657 1.00 1.74 H new ATOM 449 N LEU A 33 -20.875 0.758 2.511 1.00 0.96 N ATOM 450 CA LEU A 33 -20.353 -0.108 3.544 1.00 0.93 C ATOM 451 C LEU A 33 -21.269 -0.192 4.737 1.00 0.90 C ATOM 452 O LEU A 33 -22.348 0.397 4.775 1.00 0.98 O ATOM 453 CB LEU A 33 -19.030 0.422 4.098 1.00 0.99 C ATOM 454 CG LEU A 33 -17.986 0.990 3.142 1.00 1.26 C ATOM 455 CD1 LEU A 33 -17.749 0.063 1.963 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.355 2.394 2.685 1.00 1.95 C ATOM 0 H LEU A 33 -21.076 1.710 2.817 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.239 -1.080 3.064 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -19.268 1.202 4.821 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.559 -0.391 4.650 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.047 1.064 3.690 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -17.000 0.499 1.302 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -17.396 -0.903 2.325 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -18.681 -0.073 1.414 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -17.590 2.768 2.005 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -19.316 2.369 2.171 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -18.424 3.052 3.551 1.00 1.95 H new ATOM 468 N LEU A 34 -20.805 -0.958 5.706 1.00 0.87 N ATOM 469 CA LEU A 34 -21.201 -0.769 7.075 1.00 0.89 C ATOM 470 C LEU A 34 -20.234 0.244 7.679 1.00 0.84 C ATOM 471 O LEU A 34 -20.609 1.105 8.475 1.00 0.95 O ATOM 472 CB LEU A 34 -21.157 -2.077 7.852 1.00 1.01 C ATOM 473 CG LEU A 34 -21.637 -1.944 9.289 1.00 1.22 C ATOM 474 CD1 LEU A 34 -23.156 -1.876 9.348 1.00 1.45 C ATOM 475 CD2 LEU A 34 -21.108 -3.077 10.150 1.00 1.47 C ATOM 0 H LEU A 34 -20.147 -1.723 5.560 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.229 -0.411 7.125 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -21.772 -2.816 7.339 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -20.135 -2.457 7.852 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.242 -1.011 9.690 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.476 -1.781 10.386 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.504 -1.013 8.781 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -23.578 -2.785 8.920 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -21.467 -2.956 11.172 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -21.458 -4.030 9.753 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -20.018 -3.060 10.144 1.00 1.47 H new ATOM 487 N LYS A 35 -18.973 0.126 7.260 1.00 0.76 N ATOM 488 CA LYS A 35 -17.948 1.105 7.575 1.00 0.76 C ATOM 489 C LYS A 35 -16.894 1.164 6.472 1.00 0.65 C ATOM 490 O LYS A 35 -16.603 0.149 5.829 1.00 0.75 O ATOM 491 CB LYS A 35 -17.317 0.826 8.953 1.00 0.90 C ATOM 492 CG LYS A 35 -16.823 -0.606 9.183 1.00 0.92 C ATOM 493 CD LYS A 35 -15.559 -0.909 8.397 1.00 0.90 C ATOM 494 CE LYS A 35 -14.750 -2.035 9.025 1.00 1.00 C ATOM 495 NZ LYS A 35 -15.495 -3.321 9.107 1.00 1.40 N ATOM 0 H LYS A 35 -18.640 -0.654 6.693 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.421 2.086 7.629 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.477 1.507 9.091 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -18.051 1.065 9.723 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -16.633 -0.757 10.246 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.605 -1.309 8.896 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -15.824 -1.180 7.375 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -14.945 -0.011 8.339 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -13.840 -2.187 8.444 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.443 -1.737 10.027 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -14.873 -4.058 9.496 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -16.323 -3.204 9.726 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.810 -3.601 8.156 1.00 1.40 H new ATOM 509 N PRO A 36 -16.345 2.369 6.223 1.00 0.65 N ATOM 510 CA PRO A 36 -15.331 2.595 5.186 1.00 0.56 C ATOM 511 C PRO A 36 -14.186 1.597 5.272 1.00 0.45 C ATOM 512 O PRO A 36 -13.849 1.119 6.361 1.00 0.47 O ATOM 513 CB PRO A 36 -14.836 4.012 5.478 1.00 0.61 C ATOM 514 CG PRO A 36 -15.994 4.682 6.129 1.00 0.88 C ATOM 515 CD PRO A 36 -16.681 3.616 6.938 1.00 0.88 C ATOM 0 HA PRO A 36 -15.737 2.472 4.182 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.964 4.001 6.132 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.542 4.527 4.563 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -15.664 5.504 6.765 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.670 5.105 5.386 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.321 3.598 7.967 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.758 3.776 6.980 1.00 0.88 H new ATOM 523 N PRO A 37 -13.585 1.252 4.124 1.00 0.40 N ATOM 524 CA PRO A 37 -12.550 0.232 4.070 1.00 0.35 C ATOM 525 C PRO A 37 -11.393 0.496 5.003 1.00 0.32 C ATOM 526 O PRO A 37 -10.837 1.593 5.055 1.00 0.36 O ATOM 527 CB PRO A 37 -12.056 0.234 2.633 1.00 0.40 C ATOM 528 CG PRO A 37 -12.684 1.416 1.965 1.00 0.53 C ATOM 529 CD PRO A 37 -13.875 1.819 2.793 1.00 0.47 C ATOM 0 HA PRO A 37 -12.964 -0.725 4.387 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -10.969 0.302 2.598 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.335 -0.690 2.127 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -11.972 2.238 1.890 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -12.989 1.166 0.949 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.985 2.903 2.835 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -14.802 1.420 2.381 1.00 0.47 H new ATOM 537 N VAL A 38 -11.038 -0.537 5.724 1.00 0.29 N ATOM 538 CA VAL A 38 -9.890 -0.507 6.572 1.00 0.27 C ATOM 539 C VAL A 38 -8.814 -1.222 5.841 1.00 0.22 C ATOM 540 O VAL A 38 -8.820 -2.442 5.695 1.00 0.20 O ATOM 541 CB VAL A 38 -10.061 -1.208 7.910 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.034 -0.702 8.911 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.471 -1.064 8.435 1.00 0.77 C ATOM 0 H VAL A 38 -11.544 -1.423 5.734 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.682 0.539 6.796 1.00 0.27 H new ATOM 0 HB VAL A 38 -9.887 -2.274 7.760 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.171 -1.214 9.863 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.031 -0.899 8.534 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.163 0.371 9.054 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.557 -1.577 9.393 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.704 -0.007 8.567 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.171 -1.503 7.724 1.00 0.77 H new ATOM 553 N VAL A 39 -7.923 -0.457 5.372 1.00 0.22 N ATOM 554 CA VAL A 39 -6.803 -0.961 4.658 1.00 0.21 C ATOM 555 C VAL A 39 -5.573 -0.657 5.452 1.00 0.20 C ATOM 556 O VAL A 39 -5.205 0.499 5.652 1.00 0.23 O ATOM 557 CB VAL A 39 -6.620 -0.309 3.290 1.00 0.24 C ATOM 558 CG1 VAL A 39 -5.822 -1.217 2.365 1.00 0.28 C ATOM 559 CG2 VAL A 39 -7.952 0.095 2.680 1.00 0.24 C ATOM 0 H VAL A 39 -7.938 0.558 5.467 1.00 0.22 H new ATOM 0 HA VAL A 39 -6.970 -2.028 4.509 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.048 0.609 3.427 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.703 -0.734 1.395 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -4.840 -1.407 2.799 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.351 -2.162 2.237 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.782 0.556 1.707 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.579 -0.788 2.559 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.452 0.808 3.336 1.00 0.24 H new ATOM 569 N LYS A 40 -4.964 -1.689 5.902 1.00 0.19 N ATOM 570 CA LYS A 40 -3.708 -1.590 6.545 1.00 0.20 C ATOM 571 C LYS A 40 -2.634 -1.950 5.579 1.00 0.19 C ATOM 572 O LYS A 40 -2.693 -2.938 4.846 1.00 0.21 O ATOM 573 CB LYS A 40 -3.629 -2.448 7.804 1.00 0.26 C ATOM 574 CG LYS A 40 -4.108 -3.880 7.634 1.00 0.31 C ATOM 575 CD LYS A 40 -3.012 -4.789 7.075 1.00 0.37 C ATOM 576 CE LYS A 40 -1.923 -5.095 8.096 1.00 0.86 C ATOM 577 NZ LYS A 40 -2.164 -6.386 8.795 1.00 1.54 N ATOM 0 H LYS A 40 -5.328 -2.639 5.834 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.573 -0.559 6.873 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -2.596 -2.465 8.150 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.220 -1.973 8.587 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -4.444 -4.267 8.596 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -4.969 -3.897 6.966 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.459 -5.723 6.736 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.563 -4.315 6.202 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -0.955 -5.128 7.595 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -1.875 -4.289 8.828 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -1.359 -6.599 9.419 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -3.033 -6.317 9.362 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -2.268 -7.146 8.093 1.00 1.54 H new ATOM 591 N TRP A 41 -1.716 -1.066 5.532 1.00 0.18 N ATOM 592 CA TRP A 41 -0.509 -1.271 4.800 1.00 0.19 C ATOM 593 C TRP A 41 0.523 -1.955 5.656 1.00 0.21 C ATOM 594 O TRP A 41 0.539 -1.838 6.883 1.00 0.28 O ATOM 595 CB TRP A 41 0.045 0.043 4.314 1.00 0.21 C ATOM 596 CG TRP A 41 -0.725 0.629 3.191 1.00 0.21 C ATOM 597 CD1 TRP A 41 -1.912 1.292 3.275 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.357 0.608 1.815 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.276 1.735 2.024 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.351 1.304 1.113 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.725 0.073 1.106 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.297 1.479 -0.260 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.769 0.242 -0.263 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.239 0.945 -0.930 1.00 0.33 C ATOM 0 H TRP A 41 -1.772 -0.163 6.004 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.743 -1.904 3.944 1.00 0.19 H new ATOM 0 HB2 TRP A 41 0.060 0.751 5.143 1.00 0.21 H new ATOM 0 HB3 TRP A 41 1.079 -0.101 3.999 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.479 1.446 4.181 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.102 2.294 1.811 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.510 -0.462 1.620 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.070 2.022 -0.783 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.592 -0.174 -0.826 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.177 1.067 -2.001 1.00 0.33 H new ATOM 615 N PHE A 42 1.383 -2.640 4.976 1.00 0.21 N ATOM 616 CA PHE A 42 2.480 -3.351 5.565 1.00 0.23 C ATOM 617 C PHE A 42 3.664 -3.028 4.706 1.00 0.26 C ATOM 618 O PHE A 42 3.606 -3.195 3.496 1.00 0.34 O ATOM 619 CB PHE A 42 2.178 -4.841 5.516 1.00 0.26 C ATOM 620 CG PHE A 42 3.050 -5.730 6.352 1.00 0.30 C ATOM 621 CD1 PHE A 42 4.232 -6.232 5.842 1.00 0.37 C ATOM 622 CD2 PHE A 42 2.706 -6.027 7.661 1.00 0.49 C ATOM 623 CE1 PHE A 42 5.058 -7.018 6.622 1.00 0.50 C ATOM 624 CE2 PHE A 42 3.522 -6.816 8.443 1.00 0.62 C ATOM 625 CZ PHE A 42 4.624 -7.434 7.873 1.00 0.60 C ATOM 0 H PHE A 42 1.343 -2.726 3.960 1.00 0.21 H new ATOM 0 HA PHE A 42 2.657 -3.077 6.605 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.144 -4.989 5.826 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.251 -5.170 4.479 1.00 0.26 H new ATOM 0 HD1 PHE A 42 4.513 -6.008 4.824 1.00 0.37 H new ATOM 0 HD2 PHE A 42 1.788 -5.636 8.073 1.00 0.49 H new ATOM 0 HE1 PHE A 42 6.034 -7.307 6.261 1.00 0.50 H new ATOM 0 HE2 PHE A 42 3.304 -6.952 9.492 1.00 0.62 H new ATOM 0 HZ PHE A 42 5.138 -8.228 8.395 1.00 0.60 H new ATOM 635 N LYS A 43 4.708 -2.536 5.296 1.00 0.28 N ATOM 636 CA LYS A 43 5.840 -2.114 4.523 1.00 0.31 C ATOM 637 C LYS A 43 6.885 -3.175 4.690 1.00 0.39 C ATOM 638 O LYS A 43 7.563 -3.244 5.725 1.00 0.81 O ATOM 639 CB LYS A 43 6.354 -0.763 4.975 1.00 0.40 C ATOM 640 CG LYS A 43 7.829 -0.549 4.718 1.00 0.54 C ATOM 641 CD LYS A 43 8.175 0.909 4.822 1.00 0.67 C ATOM 642 CE LYS A 43 9.652 1.106 5.079 1.00 1.29 C ATOM 643 NZ LYS A 43 9.983 2.529 5.354 1.00 2.17 N ATOM 0 H LYS A 43 4.803 -2.416 6.304 1.00 0.28 H new ATOM 0 HA LYS A 43 5.567 -1.992 3.475 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.790 0.018 4.465 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.161 -0.651 6.042 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.416 -1.120 5.437 1.00 0.54 H new ATOM 0 HG3 LYS A 43 8.089 -0.921 3.727 1.00 0.54 H new ATOM 0 HD2 LYS A 43 7.893 1.419 3.901 1.00 0.67 H new ATOM 0 HD3 LYS A 43 7.599 1.365 5.628 1.00 0.67 H new ATOM 0 HE2 LYS A 43 9.958 0.492 5.926 1.00 1.29 H new ATOM 0 HE3 LYS A 43 10.220 0.762 4.214 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 11.015 2.658 5.323 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 9.537 3.134 4.635 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 9.629 2.792 6.296 1.00 2.17 H new ATOM 657 N GLY A 44 6.991 -4.039 3.727 1.00 0.64 N ATOM 658 CA GLY A 44 7.538 -5.309 4.086 1.00 0.92 C ATOM 659 C GLY A 44 9.018 -5.438 4.066 1.00 0.39 C ATOM 660 O GLY A 44 9.639 -5.732 3.060 1.00 1.23 O ATOM 0 H GLY A 44 6.726 -3.905 2.751 1.00 0.64 H new ATOM 0 HA2 GLY A 44 7.190 -5.556 5.089 1.00 0.92 H new ATOM 0 HA3 GLY A 44 7.124 -6.059 3.412 1.00 0.92 H new ATOM 664 N LYS A 45 9.546 -5.238 5.246 1.00 0.85 N ATOM 665 CA LYS A 45 10.568 -6.062 5.812 1.00 1.06 C ATOM 666 C LYS A 45 9.819 -6.952 6.803 1.00 0.74 C ATOM 667 O LYS A 45 9.975 -8.168 6.851 1.00 0.82 O ATOM 668 CB LYS A 45 11.670 -5.219 6.489 1.00 1.67 C ATOM 669 CG LYS A 45 11.189 -3.902 7.083 1.00 2.44 C ATOM 670 CD LYS A 45 12.354 -3.033 7.563 1.00 2.82 C ATOM 671 CE LYS A 45 13.542 -3.869 8.034 1.00 2.98 C ATOM 672 NZ LYS A 45 14.527 -3.079 8.820 1.00 3.87 N ATOM 0 H LYS A 45 9.263 -4.470 5.855 1.00 0.85 H new ATOM 0 HA LYS A 45 11.101 -6.648 5.063 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.128 -5.813 7.280 1.00 1.67 H new ATOM 0 HB3 LYS A 45 12.449 -5.008 5.756 1.00 1.67 H new ATOM 0 HG2 LYS A 45 10.613 -3.356 6.336 1.00 2.44 H new ATOM 0 HG3 LYS A 45 10.518 -4.104 7.918 1.00 2.44 H new ATOM 0 HD2 LYS A 45 12.672 -2.376 6.754 1.00 2.82 H new ATOM 0 HD3 LYS A 45 12.016 -2.393 8.378 1.00 2.82 H new ATOM 0 HE2 LYS A 45 13.179 -4.697 8.642 1.00 2.98 H new ATOM 0 HE3 LYS A 45 14.040 -4.304 7.168 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 15.311 -3.696 9.114 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 14.897 -2.304 8.234 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 14.062 -2.685 9.663 1.00 3.87 H new ATOM 686 N TRP A 46 8.993 -6.258 7.599 1.00 0.58 N ATOM 687 CA TRP A 46 8.075 -6.855 8.584 1.00 0.57 C ATOM 688 C TRP A 46 7.100 -5.814 9.166 1.00 0.63 C ATOM 689 O TRP A 46 6.295 -6.110 10.046 1.00 0.74 O ATOM 690 CB TRP A 46 8.886 -7.359 9.744 1.00 0.76 C ATOM 691 CG TRP A 46 9.952 -6.390 10.120 1.00 0.97 C ATOM 692 CD1 TRP A 46 11.157 -6.257 9.519 1.00 1.19 C ATOM 693 CD2 TRP A 46 9.901 -5.402 11.153 1.00 1.27 C ATOM 694 NE1 TRP A 46 11.830 -5.202 10.042 1.00 1.38 N ATOM 695 CE2 TRP A 46 11.101 -4.678 11.078 1.00 1.42 C ATOM 696 CE3 TRP A 46 8.958 -5.053 12.125 1.00 1.66 C ATOM 697 CZ2 TRP A 46 11.385 -3.619 11.935 1.00 1.78 C ATOM 698 CZ3 TRP A 46 9.242 -4.006 12.978 1.00 2.10 C ATOM 699 CH2 TRP A 46 10.446 -3.299 12.876 1.00 2.11 C ATOM 0 H TRP A 46 8.942 -5.240 7.576 1.00 0.58 H new ATOM 0 HA TRP A 46 7.516 -7.641 8.077 1.00 0.57 H new ATOM 0 HB2 TRP A 46 8.233 -7.534 10.599 1.00 0.76 H new ATOM 0 HB3 TRP A 46 9.337 -8.317 9.486 1.00 0.76 H new ATOM 0 HD1 TRP A 46 11.530 -6.899 8.735 1.00 1.19 H new ATOM 0 HE1 TRP A 46 12.732 -4.855 9.717 1.00 1.38 H new ATOM 0 HE3 TRP A 46 8.026 -5.592 12.206 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 12.312 -3.070 11.860 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 8.525 -3.728 13.736 1.00 2.10 H new ATOM 0 HH2 TRP A 46 10.638 -2.482 13.556 1.00 2.11 H new ATOM 710 N VAL A 47 7.230 -4.608 8.681 1.00 0.63 N ATOM 711 CA VAL A 47 6.775 -3.422 9.306 1.00 0.74 C ATOM 712 C VAL A 47 5.426 -2.953 8.788 1.00 0.59 C ATOM 713 O VAL A 47 4.895 -3.431 7.791 1.00 0.57 O ATOM 714 CB VAL A 47 7.872 -2.359 9.109 1.00 0.90 C ATOM 715 CG1 VAL A 47 7.467 -1.245 8.191 1.00 1.20 C ATOM 716 CG2 VAL A 47 8.337 -1.821 10.439 1.00 1.29 C ATOM 0 H VAL A 47 7.685 -4.431 7.786 1.00 0.63 H new ATOM 0 HA VAL A 47 6.605 -3.610 10.366 1.00 0.74 H new ATOM 0 HB VAL A 47 8.704 -2.864 8.618 1.00 0.90 H new ATOM 0 HG11 VAL A 47 8.287 -0.533 8.098 1.00 1.20 H new ATOM 0 HG12 VAL A 47 7.227 -1.652 7.209 1.00 1.20 H new ATOM 0 HG13 VAL A 47 6.592 -0.739 8.598 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.112 -1.072 10.278 1.00 1.29 H new ATOM 0 HG22 VAL A 47 7.496 -1.366 10.962 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.740 -2.636 11.040 1.00 1.29 H new ATOM 726 N ASP A 48 4.921 -2.004 9.511 1.00 0.60 N ATOM 727 CA ASP A 48 3.737 -1.268 9.218 1.00 0.56 C ATOM 728 C ASP A 48 4.158 0.058 8.644 1.00 0.58 C ATOM 729 O ASP A 48 5.171 0.606 9.046 1.00 0.96 O ATOM 730 CB ASP A 48 3.010 -0.958 10.509 1.00 0.73 C ATOM 731 CG ASP A 48 2.276 -2.133 11.123 1.00 1.88 C ATOM 732 OD1 ASP A 48 2.942 -2.995 11.739 1.00 2.73 O ATOM 733 OD2 ASP A 48 1.043 -2.226 10.954 1.00 2.22 O ATOM 0 H ASP A 48 5.358 -1.704 10.382 1.00 0.60 H new ATOM 0 HA ASP A 48 3.104 -1.839 8.539 1.00 0.56 H new ATOM 0 HB2 ASP A 48 3.731 -0.579 11.234 1.00 0.73 H new ATOM 0 HB3 ASP A 48 2.294 -0.157 10.323 1.00 0.73 H new ATOM 738 N LEU A 49 3.382 0.591 7.757 1.00 0.39 N ATOM 739 CA LEU A 49 3.637 1.928 7.259 1.00 0.35 C ATOM 740 C LEU A 49 3.151 2.963 8.242 1.00 0.41 C ATOM 741 O LEU A 49 3.759 4.010 8.363 1.00 0.44 O ATOM 742 CB LEU A 49 2.970 2.200 5.909 1.00 0.29 C ATOM 743 CG LEU A 49 3.691 1.727 4.644 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.386 0.293 4.310 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.265 2.575 3.480 1.00 0.28 C ATOM 0 H LEU A 49 2.564 0.132 7.355 1.00 0.39 H new ATOM 0 HA LEU A 49 4.717 1.995 7.128 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.984 1.737 5.924 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.816 3.276 5.823 1.00 0.29 H new ATOM 0 HG LEU A 49 4.760 1.816 4.835 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.922 0.008 3.405 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.700 -0.347 5.134 1.00 0.36 H new ATOM 0 HD13 LEU A 49 2.314 0.177 4.148 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.778 2.239 2.578 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.188 2.485 3.340 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.520 3.616 3.676 1.00 0.28 H new ATOM 757 N SER A 50 2.124 2.627 9.005 1.00 0.48 N ATOM 758 CA SER A 50 1.383 3.595 9.788 1.00 0.58 C ATOM 759 C SER A 50 2.322 4.315 10.723 1.00 0.62 C ATOM 760 O SER A 50 2.044 5.421 11.182 1.00 0.70 O ATOM 761 CB SER A 50 0.270 2.894 10.579 1.00 0.73 C ATOM 762 OG SER A 50 -0.483 3.816 11.349 1.00 1.23 O ATOM 0 H SER A 50 1.782 1.671 9.097 1.00 0.48 H new ATOM 0 HA SER A 50 0.923 4.323 9.119 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.391 2.369 9.890 1.00 0.73 H new ATOM 0 HB3 SER A 50 0.708 2.142 11.236 1.00 0.73 H new ATOM 0 HG SER A 50 -1.184 3.337 11.839 1.00 1.23 H new ATOM 768 N SER A 51 3.458 3.693 10.983 1.00 0.64 N ATOM 769 CA SER A 51 4.371 4.253 11.913 1.00 0.75 C ATOM 770 C SER A 51 5.477 5.040 11.217 1.00 0.72 C ATOM 771 O SER A 51 6.031 5.988 11.775 1.00 0.85 O ATOM 772 CB SER A 51 4.966 3.165 12.793 1.00 0.90 C ATOM 773 OG SER A 51 5.366 3.688 14.047 1.00 1.34 O ATOM 0 H SER A 51 3.751 2.812 10.560 1.00 0.64 H new ATOM 0 HA SER A 51 3.816 4.951 12.539 1.00 0.75 H new ATOM 0 HB2 SER A 51 4.233 2.372 12.943 1.00 0.90 H new ATOM 0 HB3 SER A 51 5.824 2.716 12.292 1.00 0.90 H new ATOM 0 HG SER A 51 5.744 2.969 14.596 1.00 1.34 H new ATOM 779 N LYS A 52 5.773 4.640 9.995 1.00 0.62 N ATOM 780 CA LYS A 52 6.918 5.149 9.260 1.00 0.66 C ATOM 781 C LYS A 52 6.520 6.294 8.339 1.00 0.67 C ATOM 782 O LYS A 52 7.315 7.187 8.050 1.00 1.09 O ATOM 783 CB LYS A 52 7.535 4.024 8.422 1.00 0.65 C ATOM 784 CG LYS A 52 7.179 2.602 8.850 1.00 0.70 C ATOM 785 CD LYS A 52 7.491 2.306 10.317 1.00 0.78 C ATOM 786 CE LYS A 52 8.987 2.303 10.601 1.00 1.02 C ATOM 787 NZ LYS A 52 9.271 2.244 12.059 1.00 1.40 N ATOM 0 H LYS A 52 5.225 3.950 9.481 1.00 0.62 H new ATOM 0 HA LYS A 52 7.643 5.521 9.984 1.00 0.66 H new ATOM 0 HB2 LYS A 52 7.227 4.159 7.385 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.619 4.130 8.449 1.00 0.65 H new ATOM 0 HG2 LYS A 52 6.117 2.434 8.672 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.723 1.896 8.222 1.00 0.70 H new ATOM 0 HD2 LYS A 52 7.005 3.051 10.947 1.00 0.78 H new ATOM 0 HD3 LYS A 52 7.070 1.337 10.587 1.00 0.78 H new ATOM 0 HE2 LYS A 52 9.449 1.449 10.106 1.00 1.02 H new ATOM 0 HE3 LYS A 52 9.439 3.200 10.178 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 10.300 2.244 12.213 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 8.851 3.072 12.528 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 8.861 1.375 12.458 1.00 1.40 H new ATOM 801 N VAL A 53 5.308 6.177 7.840 1.00 0.34 N ATOM 802 CA VAL A 53 4.633 7.149 7.010 1.00 0.32 C ATOM 803 C VAL A 53 4.871 8.559 7.488 1.00 0.33 C ATOM 804 O VAL A 53 4.232 9.065 8.414 1.00 0.37 O ATOM 805 CB VAL A 53 3.131 6.818 6.957 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.298 7.906 6.308 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.936 5.540 6.197 1.00 0.35 C ATOM 0 H VAL A 53 4.735 5.352 8.014 1.00 0.34 H new ATOM 0 HA VAL A 53 5.046 7.093 6.003 1.00 0.32 H new ATOM 0 HB VAL A 53 2.791 6.726 7.989 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.250 7.608 6.304 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.409 8.833 6.870 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.636 8.060 5.283 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.874 5.300 6.156 1.00 0.35 H new ATOM 0 HG22 VAL A 53 3.321 5.657 5.184 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.471 4.733 6.698 1.00 0.35 H new ATOM 817 N GLY A 54 5.850 9.139 6.856 1.00 0.35 N ATOM 818 CA GLY A 54 6.216 10.509 7.120 1.00 0.41 C ATOM 819 C GLY A 54 7.015 11.147 5.998 1.00 0.44 C ATOM 820 O GLY A 54 6.461 11.505 4.963 1.00 0.70 O ATOM 0 H GLY A 54 6.419 8.681 6.144 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.311 11.093 7.289 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.799 10.551 8.040 1.00 0.41 H new ATOM 824 N GLN A 55 8.319 11.269 6.197 1.00 0.36 N ATOM 825 CA GLN A 55 9.163 12.064 5.306 1.00 0.43 C ATOM 826 C GLN A 55 9.481 11.354 3.987 1.00 0.39 C ATOM 827 O GLN A 55 9.224 11.897 2.918 1.00 0.50 O ATOM 828 CB GLN A 55 10.454 12.442 6.031 1.00 0.61 C ATOM 829 CG GLN A 55 11.413 13.272 5.194 1.00 1.43 C ATOM 830 CD GLN A 55 10.809 14.584 4.725 1.00 2.08 C ATOM 831 OE1 GLN A 55 10.227 14.657 3.646 1.00 2.75 O ATOM 832 NE2 GLN A 55 10.940 15.625 5.531 1.00 2.69 N ATOM 0 H GLN A 55 8.820 10.828 6.968 1.00 0.36 H new ATOM 0 HA GLN A 55 8.602 12.961 5.043 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.202 12.998 6.934 1.00 0.61 H new ATOM 0 HB3 GLN A 55 10.961 11.531 6.348 1.00 0.61 H new ATOM 0 HG2 GLN A 55 12.310 13.479 5.778 1.00 1.43 H new ATOM 0 HG3 GLN A 55 11.725 12.691 4.326 1.00 1.43 H new ATOM 0 HE21 GLN A 55 11.431 15.524 6.419 1.00 2.69 H new ATOM 0 HE22 GLN A 55 10.550 16.529 5.264 1.00 2.69 H new ATOM 841 N HIS A 56 10.026 10.145 4.052 1.00 0.36 N ATOM 842 CA HIS A 56 10.470 9.460 2.829 1.00 0.41 C ATOM 843 C HIS A 56 9.405 8.505 2.317 1.00 0.35 C ATOM 844 O HIS A 56 9.306 8.237 1.129 1.00 0.42 O ATOM 845 CB HIS A 56 11.777 8.709 3.073 1.00 0.54 C ATOM 846 CG HIS A 56 11.616 7.393 3.765 1.00 0.58 C ATOM 847 ND1 HIS A 56 11.437 6.212 3.086 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.547 7.088 5.078 1.00 1.06 C ATOM 849 CE1 HIS A 56 11.242 5.239 3.948 1.00 1.11 C ATOM 850 NE2 HIS A 56 11.311 5.740 5.171 1.00 1.33 N ATOM 0 H HIS A 56 10.172 9.622 4.915 1.00 0.36 H new ATOM 0 HA HIS A 56 10.641 10.221 2.068 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.271 8.544 2.115 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.438 9.339 3.668 1.00 0.54 H new ATOM 0 HD1 HIS A 56 11.453 6.107 2.072 1.00 0.87 H new ATOM 0 HD2 HIS A 56 11.657 7.777 5.902 1.00 1.06 H new ATOM 0 HE1 HIS A 56 11.057 4.204 3.700 1.00 1.11 H new ATOM 859 N LEU A 57 8.632 7.997 3.244 1.00 0.28 N ATOM 860 CA LEU A 57 7.473 7.175 2.953 1.00 0.25 C ATOM 861 C LEU A 57 6.271 7.955 3.405 1.00 0.23 C ATOM 862 O LEU A 57 6.026 8.076 4.586 1.00 0.29 O ATOM 863 CB LEU A 57 7.596 5.825 3.721 1.00 0.38 C ATOM 864 CG LEU A 57 6.404 4.818 3.803 1.00 0.28 C ATOM 865 CD1 LEU A 57 6.156 4.426 5.242 1.00 1.11 C ATOM 866 CD2 LEU A 57 5.102 5.323 3.186 1.00 1.10 C ATOM 0 H LEU A 57 8.789 8.143 4.241 1.00 0.28 H new ATOM 0 HA LEU A 57 7.390 6.941 1.892 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.435 5.286 3.281 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.875 6.069 4.746 1.00 0.38 H new ATOM 0 HG LEU A 57 6.709 3.957 3.208 1.00 0.28 H new ATOM 0 HD11 LEU A 57 5.324 3.724 5.290 1.00 1.11 H new ATOM 0 HD12 LEU A 57 7.051 3.956 5.650 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.915 5.315 5.825 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.331 4.560 3.288 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.784 6.231 3.699 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.260 5.540 2.130 1.00 1.10 H new ATOM 878 N GLN A 58 5.546 8.479 2.461 1.00 0.20 N ATOM 879 CA GLN A 58 4.257 9.006 2.703 1.00 0.21 C ATOM 880 C GLN A 58 3.264 8.011 2.163 1.00 0.18 C ATOM 881 O GLN A 58 3.244 7.706 0.975 1.00 0.19 O ATOM 882 CB GLN A 58 4.068 10.335 1.984 1.00 0.27 C ATOM 883 CG GLN A 58 5.215 11.320 2.141 1.00 0.46 C ATOM 884 CD GLN A 58 6.302 11.154 1.107 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.233 11.722 0.019 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.333 10.419 1.456 1.00 0.28 N ATOM 0 H GLN A 58 5.848 8.548 1.489 1.00 0.20 H new ATOM 0 HA GLN A 58 4.120 9.177 3.771 1.00 0.21 H new ATOM 0 HB2 GLN A 58 3.921 10.138 0.922 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.155 10.803 2.351 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.822 12.335 2.082 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.649 11.203 3.134 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.350 9.965 2.369 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.117 10.302 0.814 1.00 0.28 H new ATOM 895 N LEU A 59 2.473 7.512 3.044 1.00 0.20 N ATOM 896 CA LEU A 59 1.357 6.677 2.692 1.00 0.20 C ATOM 897 C LEU A 59 0.150 7.594 2.719 1.00 0.21 C ATOM 898 O LEU A 59 -0.457 7.841 3.761 1.00 0.23 O ATOM 899 CB LEU A 59 1.236 5.508 3.701 1.00 0.23 C ATOM 900 CG LEU A 59 0.333 4.323 3.359 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.206 3.464 4.600 1.00 0.26 C ATOM 902 CD2 LEU A 59 -1.010 4.780 2.833 1.00 0.23 C ATOM 0 H LEU A 59 2.575 7.668 4.047 1.00 0.20 H new ATOM 0 HA LEU A 59 1.462 6.214 1.711 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.239 5.118 3.874 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.888 5.924 4.646 1.00 0.23 H new ATOM 0 HG LEU A 59 0.773 3.733 2.555 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.434 2.608 4.386 1.00 0.26 H new ATOM 0 HD12 LEU A 59 1.193 3.112 4.902 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.232 4.052 5.406 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.625 3.910 2.601 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.510 5.386 3.589 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.864 5.373 1.930 1.00 0.23 H new ATOM 914 N HIS A 60 -0.141 8.131 1.561 1.00 0.22 N ATOM 915 CA HIS A 60 -1.205 9.044 1.370 1.00 0.25 C ATOM 916 C HIS A 60 -2.445 8.316 0.994 1.00 0.24 C ATOM 917 O HIS A 60 -2.433 7.157 0.605 1.00 0.26 O ATOM 918 CB HIS A 60 -0.898 10.062 0.282 1.00 0.37 C ATOM 919 CG HIS A 60 0.240 10.990 0.572 1.00 0.79 C ATOM 920 ND1 HIS A 60 1.198 11.302 -0.365 1.00 1.48 N ATOM 921 CD2 HIS A 60 0.547 11.715 1.676 1.00 1.65 C ATOM 922 CE1 HIS A 60 2.044 12.177 0.144 1.00 1.91 C ATOM 923 NE2 HIS A 60 1.671 12.443 1.379 1.00 2.03 N ATOM 0 H HIS A 60 0.381 7.929 0.708 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.340 9.572 2.314 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.681 9.526 -0.642 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.793 10.657 0.102 1.00 0.37 H new ATOM 0 HD1 HIS A 60 1.247 10.916 -1.308 1.00 1.48 H new ATOM 0 HD2 HIS A 60 0.008 11.719 2.612 1.00 1.65 H new ATOM 0 HE1 HIS A 60 2.896 12.602 -0.365 1.00 1.91 H new ATOM 932 N ASP A 61 -3.491 9.028 1.149 1.00 0.29 N ATOM 933 CA ASP A 61 -4.792 8.604 0.792 1.00 0.32 C ATOM 934 C ASP A 61 -5.522 9.710 0.098 1.00 0.35 C ATOM 935 O ASP A 61 -5.672 10.833 0.583 1.00 0.48 O ATOM 936 CB ASP A 61 -5.593 8.120 1.969 1.00 0.44 C ATOM 937 CG ASP A 61 -5.269 8.823 3.279 1.00 0.54 C ATOM 938 OD1 ASP A 61 -5.709 9.973 3.471 1.00 0.92 O ATOM 939 OD2 ASP A 61 -4.575 8.227 4.130 1.00 0.73 O ATOM 0 H ASP A 61 -3.467 9.967 1.547 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.673 7.756 0.117 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.653 8.253 1.752 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.425 7.050 2.093 1.00 0.44 H new ATOM 944 N SER A 62 -5.920 9.350 -1.058 1.00 0.29 N ATOM 945 CA SER A 62 -6.714 10.188 -1.923 1.00 0.32 C ATOM 946 C SER A 62 -8.165 9.810 -1.758 1.00 0.32 C ATOM 947 O SER A 62 -8.486 8.647 -1.507 1.00 0.41 O ATOM 948 CB SER A 62 -6.294 10.037 -3.381 1.00 0.40 C ATOM 949 OG SER A 62 -4.891 9.843 -3.491 1.00 0.47 O ATOM 0 H SER A 62 -5.706 8.437 -1.460 1.00 0.29 H new ATOM 0 HA SER A 62 -6.562 11.231 -1.646 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.817 9.192 -3.828 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.587 10.925 -3.941 1.00 0.40 H new ATOM 0 HG SER A 62 -4.659 8.945 -3.174 1.00 0.47 H new ATOM 955 N TYR A 63 -9.031 10.775 -1.915 1.00 0.38 N ATOM 956 CA TYR A 63 -10.420 10.582 -1.595 1.00 0.45 C ATOM 957 C TYR A 63 -11.308 10.974 -2.737 1.00 0.47 C ATOM 958 O TYR A 63 -11.574 12.150 -2.992 1.00 0.54 O ATOM 959 CB TYR A 63 -10.772 11.328 -0.318 1.00 0.64 C ATOM 960 CG TYR A 63 -12.252 11.448 -0.021 1.00 0.63 C ATOM 961 CD1 TYR A 63 -13.017 10.325 0.249 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.875 12.693 0.015 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.362 10.430 0.541 1.00 1.05 C ATOM 964 CE2 TYR A 63 -14.218 12.808 0.312 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.957 11.675 0.573 1.00 1.07 C ATOM 966 OH TYR A 63 -16.294 11.784 0.882 1.00 1.39 O ATOM 0 H TYR A 63 -8.798 11.705 -2.263 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.590 9.519 -1.422 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.290 10.825 0.521 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.348 12.331 -0.375 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.553 9.350 0.231 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -12.298 13.582 -0.193 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -14.945 9.544 0.743 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.687 13.781 0.340 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.558 12.728 0.863 1.00 1.39 H new ATOM 976 N ASP A 64 -11.719 9.954 -3.437 1.00 0.47 N ATOM 977 CA ASP A 64 -12.694 10.074 -4.473 1.00 0.57 C ATOM 978 C ASP A 64 -13.948 9.346 -4.063 1.00 0.57 C ATOM 979 O ASP A 64 -14.003 8.124 -4.063 1.00 0.63 O ATOM 980 CB ASP A 64 -12.187 9.454 -5.744 1.00 0.71 C ATOM 981 CG ASP A 64 -11.378 10.384 -6.621 1.00 1.53 C ATOM 982 OD1 ASP A 64 -11.970 11.300 -7.227 1.00 2.00 O ATOM 983 OD2 ASP A 64 -10.137 10.227 -6.666 1.00 2.42 O ATOM 0 H ASP A 64 -11.378 9.003 -3.298 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.897 11.132 -4.637 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -11.573 8.589 -5.491 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -13.038 9.085 -6.317 1.00 0.71 H new ATOM 988 N ARG A 65 -14.933 10.087 -3.673 1.00 0.60 N ATOM 989 CA ARG A 65 -16.221 9.520 -3.368 1.00 0.64 C ATOM 990 C ARG A 65 -17.052 9.401 -4.626 1.00 0.74 C ATOM 991 O ARG A 65 -17.715 8.388 -4.851 1.00 0.88 O ATOM 992 CB ARG A 65 -16.939 10.363 -2.330 1.00 0.74 C ATOM 993 CG ARG A 65 -17.436 9.520 -1.195 1.00 0.86 C ATOM 994 CD ARG A 65 -18.464 8.519 -1.692 1.00 1.00 C ATOM 995 NE ARG A 65 -19.817 9.083 -1.717 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.647 9.008 -2.761 1.00 1.80 C ATOM 997 NH1 ARG A 65 -20.234 8.478 -3.904 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.879 9.501 -2.679 1.00 2.07 N ATOM 0 H ARG A 65 -14.876 11.099 -3.555 1.00 0.60 H new ATOM 0 HA ARG A 65 -16.074 8.522 -2.956 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.263 11.128 -1.949 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.777 10.881 -2.796 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -16.601 8.994 -0.731 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -17.879 10.155 -0.428 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -18.191 8.188 -2.694 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -18.451 7.638 -1.050 1.00 1.00 H new ATOM 0 HE ARG A 65 -20.147 9.565 -0.881 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -19.280 8.126 -3.988 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.870 8.422 -4.699 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -22.196 9.940 -1.815 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.507 9.440 -3.480 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.991 10.432 -5.439 1.00 0.80 N ATOM 1013 CA ALA A 66 -17.705 10.471 -6.705 1.00 0.93 C ATOM 1014 C ALA A 66 -17.067 9.523 -7.710 1.00 0.83 C ATOM 1015 O ALA A 66 -17.708 9.075 -8.660 1.00 0.92 O ATOM 1016 CB ALA A 66 -17.743 11.888 -7.256 1.00 1.15 C ATOM 0 H ALA A 66 -16.445 11.271 -5.244 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.730 10.145 -6.529 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -18.282 11.896 -8.204 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -18.250 12.541 -6.545 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -16.725 12.244 -7.414 1.00 1.15 H new ATOM 1022 N SER A 67 -15.802 9.210 -7.480 1.00 0.72 N ATOM 1023 CA SER A 67 -15.096 8.242 -8.300 1.00 0.72 C ATOM 1024 C SER A 67 -15.088 6.927 -7.558 1.00 0.58 C ATOM 1025 O SER A 67 -14.828 5.870 -8.133 1.00 0.63 O ATOM 1026 CB SER A 67 -13.672 8.711 -8.604 1.00 0.83 C ATOM 1027 OG SER A 67 -13.668 10.059 -9.056 1.00 1.41 O ATOM 0 H SER A 67 -15.242 9.614 -6.729 1.00 0.72 H new ATOM 0 HA SER A 67 -15.600 8.127 -9.260 1.00 0.72 H new ATOM 0 HB2 SER A 67 -13.056 8.621 -7.709 1.00 0.83 H new ATOM 0 HB3 SER A 67 -13.227 8.067 -9.363 1.00 0.83 H new ATOM 0 HG SER A 67 -13.106 10.601 -8.464 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.385 7.025 -6.262 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.585 5.870 -5.411 1.00 0.50 C ATOM 1035 C LYS A 68 -14.266 5.128 -5.220 1.00 0.44 C ATOM 1036 O LYS A 68 -14.237 3.915 -5.035 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.641 4.967 -6.038 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.271 3.963 -5.094 1.00 0.66 C ATOM 1039 CD LYS A 68 -18.305 4.596 -4.166 1.00 1.38 C ATOM 1040 CE LYS A 68 -17.675 5.236 -2.935 1.00 2.27 C ATOM 1041 NZ LYS A 68 -18.671 5.407 -1.844 1.00 3.31 N ATOM 0 H LYS A 68 -15.492 7.916 -5.778 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.934 6.187 -4.428 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.429 5.593 -6.457 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -16.188 4.426 -6.869 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -17.746 3.172 -5.675 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -16.490 3.494 -4.495 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.867 5.351 -4.716 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -19.018 3.835 -3.850 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -16.850 4.617 -2.583 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.255 6.206 -3.202 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -18.187 5.717 -0.977 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -19.373 6.122 -2.124 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -19.151 4.501 -1.667 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.182 5.883 -5.234 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.860 5.325 -5.073 1.00 0.31 C ATOM 1057 C VAL A 69 -11.099 6.086 -4.014 1.00 0.29 C ATOM 1058 O VAL A 69 -10.923 7.296 -4.100 1.00 0.35 O ATOM 1059 CB VAL A 69 -11.012 5.403 -6.352 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.867 4.405 -6.295 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.844 5.201 -7.605 1.00 0.43 C ATOM 0 H VAL A 69 -13.197 6.895 -5.357 1.00 0.34 H new ATOM 0 HA VAL A 69 -12.016 4.280 -4.804 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.597 6.409 -6.405 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.278 4.475 -7.209 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.233 4.627 -5.437 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -10.268 3.396 -6.198 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -11.201 5.265 -8.483 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.318 4.220 -7.573 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.611 5.973 -7.661 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.665 5.377 -3.022 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.670 5.889 -2.127 1.00 0.25 C ATOM 1073 C TYR A 70 -8.343 5.382 -2.609 1.00 0.22 C ATOM 1074 O TYR A 70 -8.069 4.181 -2.586 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.844 5.445 -0.686 1.00 0.31 C ATOM 1076 CG TYR A 70 -11.220 5.648 -0.116 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -11.669 6.914 0.223 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -12.079 4.576 0.066 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -12.936 7.104 0.731 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -13.347 4.759 0.572 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.746 6.023 0.966 1.00 0.76 C ATOM 1082 OH TYR A 70 -15.039 6.208 1.411 1.00 0.93 O ATOM 0 H TYR A 70 -10.986 4.433 -2.808 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.753 6.976 -2.131 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.591 4.387 -0.615 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -9.128 5.986 -0.067 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -11.017 7.764 0.087 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -11.749 3.581 -0.193 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -13.290 8.102 0.943 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -14.024 3.922 0.660 1.00 1.24 H new ATOM 0 HH TYR A 70 -15.473 5.337 1.525 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.538 6.286 -3.058 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.229 5.936 -3.529 1.00 0.19 C ATOM 1094 C LEU A 71 -5.244 6.179 -2.435 1.00 0.20 C ATOM 1095 O LEU A 71 -4.863 7.304 -2.141 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.784 6.719 -4.766 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.277 6.602 -5.039 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.910 5.187 -5.450 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -3.818 7.603 -6.081 1.00 0.52 C ATOM 0 H LEU A 71 -7.760 7.280 -3.111 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.273 4.886 -3.818 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.334 6.358 -5.635 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -6.044 7.770 -4.637 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.757 6.835 -4.110 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.838 5.129 -5.638 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.176 4.495 -4.651 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.452 4.919 -6.357 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -2.747 7.490 -6.247 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.351 7.426 -7.015 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -4.026 8.614 -5.731 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.822 5.111 -1.860 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.742 5.146 -0.943 1.00 0.21 C ATOM 1113 C PHE A 72 -2.494 5.035 -1.761 1.00 0.23 C ATOM 1114 O PHE A 72 -2.209 4.010 -2.374 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.838 4.000 0.030 1.00 0.25 C ATOM 1116 CG PHE A 72 -5.032 4.057 0.937 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -6.258 3.567 0.518 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.922 4.587 2.209 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -7.356 3.607 1.358 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -6.014 4.632 3.052 1.00 0.33 C ATOM 1121 CZ PHE A 72 -7.233 4.140 2.627 1.00 0.30 C ATOM 0 H PHE A 72 -5.218 4.184 -2.013 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.751 6.065 -0.357 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.866 3.065 -0.530 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.934 3.980 0.639 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -6.357 3.150 -0.473 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.971 4.970 2.547 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -8.308 3.222 1.023 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.916 5.051 4.042 1.00 0.33 H new ATOM 0 HZ PHE A 72 -8.088 4.172 3.285 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.778 6.096 -1.778 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.609 6.200 -2.597 1.00 0.26 C ATOM 1133 C GLU A 73 0.603 6.364 -1.750 1.00 0.20 C ATOM 1134 O GLU A 73 0.668 7.203 -0.849 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.694 7.342 -3.599 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.027 8.696 -2.984 1.00 0.59 C ATOM 1137 CD GLU A 73 0.004 9.754 -3.320 1.00 0.75 C ATOM 1138 OE1 GLU A 73 0.997 9.890 -2.571 1.00 1.32 O ATOM 1139 OE2 GLU A 73 -0.177 10.463 -4.331 1.00 1.09 O ATOM 0 H GLU A 73 -1.980 6.928 -1.224 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.541 5.273 -3.166 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.258 7.420 -4.125 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -1.451 7.099 -4.345 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -2.005 9.021 -3.337 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -1.097 8.592 -1.901 1.00 0.59 H new ATOM 1146 N LEU A 74 1.553 5.547 -2.040 1.00 0.21 N ATOM 1147 CA LEU A 74 2.795 5.603 -1.370 1.00 0.21 C ATOM 1148 C LEU A 74 3.708 6.477 -2.139 1.00 0.20 C ATOM 1149 O LEU A 74 3.827 6.389 -3.362 1.00 0.25 O ATOM 1150 CB LEU A 74 3.469 4.248 -1.252 1.00 0.27 C ATOM 1151 CG LEU A 74 2.634 3.141 -0.648 1.00 0.27 C ATOM 1152 CD1 LEU A 74 3.520 2.192 0.115 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.528 3.691 0.233 1.00 0.96 C ATOM 0 H LEU A 74 1.486 4.820 -2.752 1.00 0.21 H new ATOM 0 HA LEU A 74 2.596 5.977 -0.366 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.787 3.935 -2.247 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.371 4.364 -0.651 1.00 0.27 H new ATOM 0 HG LEU A 74 2.150 2.595 -1.458 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.913 1.397 0.548 1.00 0.85 H new ATOM 0 HD12 LEU A 74 4.257 1.759 -0.561 1.00 0.85 H new ATOM 0 HD13 LEU A 74 4.032 2.733 0.911 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.950 2.866 0.649 1.00 0.96 H new ATOM 0 HD22 LEU A 74 1.965 4.273 1.044 1.00 0.96 H new ATOM 0 HD23 LEU A 74 0.874 4.330 -0.360 1.00 0.96 H new ATOM 1165 N HIS A 75 4.363 7.283 -1.412 1.00 0.18 N ATOM 1166 CA HIS A 75 5.496 7.970 -1.922 1.00 0.19 C ATOM 1167 C HIS A 75 6.603 7.535 -1.040 1.00 0.19 C ATOM 1168 O HIS A 75 6.760 8.037 0.065 1.00 0.19 O ATOM 1169 CB HIS A 75 5.319 9.492 -1.897 1.00 0.23 C ATOM 1170 CG HIS A 75 4.807 10.060 -3.187 1.00 0.39 C ATOM 1171 ND1 HIS A 75 3.468 10.172 -3.503 1.00 1.01 N ATOM 1172 CD2 HIS A 75 5.482 10.553 -4.253 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.347 10.706 -4.705 1.00 0.88 C ATOM 1174 NE2 HIS A 75 4.552 10.947 -5.177 1.00 0.94 N ATOM 0 H HIS A 75 4.137 7.494 -0.440 1.00 0.18 H new ATOM 0 HA HIS A 75 5.675 7.737 -2.972 1.00 0.19 H new ATOM 0 HB2 HIS A 75 4.630 9.756 -1.095 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.276 9.957 -1.660 1.00 0.23 H new ATOM 0 HD1 HIS A 75 2.694 9.887 -2.903 1.00 1.01 H new ATOM 0 HD2 HIS A 75 6.555 10.622 -4.355 1.00 1.15 H new ATOM 0 HE1 HIS A 75 2.417 10.910 -5.214 1.00 0.88 H new ATOM 1183 N ILE A 76 7.337 6.562 -1.500 1.00 0.21 N ATOM 1184 CA ILE A 76 8.363 5.995 -0.688 1.00 0.23 C ATOM 1185 C ILE A 76 9.651 6.045 -1.425 1.00 0.25 C ATOM 1186 O ILE A 76 9.958 5.234 -2.276 1.00 0.28 O ATOM 1187 CB ILE A 76 8.063 4.549 -0.290 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.710 4.451 0.418 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.180 3.974 0.591 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.494 3.113 1.062 1.00 0.52 C ATOM 0 H ILE A 76 7.241 6.150 -2.428 1.00 0.21 H new ATOM 0 HA ILE A 76 8.418 6.581 0.230 1.00 0.23 H new ATOM 0 HB ILE A 76 8.016 3.954 -1.202 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.643 5.231 1.177 1.00 0.29 H new ATOM 0 HG13 ILE A 76 5.913 4.637 -0.302 1.00 0.29 H new ATOM 0 HG21 ILE A 76 8.939 2.945 0.858 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.123 3.996 0.044 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.273 4.572 1.497 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.519 3.097 1.550 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.532 2.333 0.302 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.274 2.936 1.803 1.00 0.52 H new ATOM 1202 N THR A 77 10.403 6.995 -1.079 1.00 0.24 N ATOM 1203 CA THR A 77 11.653 7.167 -1.641 1.00 0.26 C ATOM 1204 C THR A 77 12.647 6.571 -0.726 1.00 0.36 C ATOM 1205 O THR A 77 12.363 6.260 0.437 1.00 0.58 O ATOM 1206 CB THR A 77 11.972 8.638 -1.897 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.804 9.397 -0.692 1.00 0.41 O ATOM 1208 CG2 THR A 77 11.075 9.171 -2.989 1.00 0.37 C ATOM 0 H THR A 77 10.156 7.692 -0.377 1.00 0.24 H new ATOM 0 HA THR A 77 11.679 6.674 -2.613 1.00 0.26 H new ATOM 0 HB THR A 77 13.010 8.730 -2.218 1.00 0.32 H new ATOM 0 HG1 THR A 77 12.590 9.280 -0.119 1.00 0.41 H new ATOM 0 HG21 THR A 77 11.305 10.221 -3.169 1.00 0.37 H new ATOM 0 HG22 THR A 77 11.238 8.602 -3.904 1.00 0.37 H new ATOM 0 HG23 THR A 77 10.033 9.075 -2.683 1.00 0.37 H new ATOM 1216 N ASP A 78 13.776 6.415 -1.302 1.00 0.30 N ATOM 1217 CA ASP A 78 14.945 5.861 -0.695 1.00 0.45 C ATOM 1218 C ASP A 78 14.646 4.656 0.147 1.00 0.45 C ATOM 1219 O ASP A 78 14.451 4.698 1.362 1.00 0.70 O ATOM 1220 CB ASP A 78 15.746 6.899 0.033 1.00 0.61 C ATOM 1221 CG ASP A 78 14.962 7.733 1.042 1.00 1.44 C ATOM 1222 OD1 ASP A 78 14.345 8.743 0.650 1.00 2.12 O ATOM 1223 OD2 ASP A 78 14.946 7.354 2.241 1.00 1.97 O ATOM 0 H ASP A 78 13.929 6.685 -2.274 1.00 0.30 H new ATOM 0 HA ASP A 78 15.576 5.500 -1.507 1.00 0.45 H new ATOM 0 HB2 ASP A 78 16.566 6.404 0.554 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.193 7.570 -0.700 1.00 0.61 H new ATOM 1228 N ALA A 79 14.595 3.577 -0.567 1.00 0.37 N ATOM 1229 CA ALA A 79 14.405 2.279 0.020 1.00 0.34 C ATOM 1230 C ALA A 79 15.705 1.842 0.635 1.00 0.38 C ATOM 1231 O ALA A 79 16.762 1.957 0.016 1.00 0.40 O ATOM 1232 CB ALA A 79 13.943 1.260 -1.007 1.00 0.34 C ATOM 0 H ALA A 79 14.684 3.567 -1.583 1.00 0.37 H new ATOM 0 HA ALA A 79 13.626 2.345 0.779 1.00 0.34 H new ATOM 0 HB1 ALA A 79 13.811 0.292 -0.525 1.00 0.34 H new ATOM 0 HB2 ALA A 79 12.996 1.583 -1.439 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.691 1.173 -1.795 1.00 0.34 H new ATOM 1238 N GLN A 80 15.638 1.364 1.850 1.00 0.47 N ATOM 1239 CA GLN A 80 16.827 0.940 2.539 1.00 0.55 C ATOM 1240 C GLN A 80 17.013 -0.554 2.313 1.00 0.43 C ATOM 1241 O GLN A 80 16.034 -1.273 2.120 1.00 0.43 O ATOM 1242 CB GLN A 80 16.733 1.301 4.020 1.00 0.74 C ATOM 1243 CG GLN A 80 16.459 0.127 4.933 1.00 0.78 C ATOM 1244 CD GLN A 80 16.814 0.445 6.360 1.00 1.06 C ATOM 1245 OE1 GLN A 80 15.984 0.928 7.123 1.00 1.37 O ATOM 1246 NE2 GLN A 80 18.058 0.189 6.721 1.00 1.43 N ATOM 0 H GLN A 80 14.774 1.259 2.382 1.00 0.47 H new ATOM 0 HA GLN A 80 17.704 1.455 2.147 1.00 0.55 H new ATOM 0 HB2 GLN A 80 17.666 1.774 4.326 1.00 0.74 H new ATOM 0 HB3 GLN A 80 15.943 2.040 4.152 1.00 0.74 H new ATOM 0 HG2 GLN A 80 15.405 -0.146 4.871 1.00 0.78 H new ATOM 0 HG3 GLN A 80 17.032 -0.738 4.598 1.00 0.78 H new ATOM 0 HE21 GLN A 80 18.711 -0.213 6.049 1.00 1.43 H new ATOM 0 HE22 GLN A 80 18.366 0.394 7.672 1.00 1.43 H new ATOM 1255 N PRO A 81 18.262 -1.046 2.346 1.00 0.42 N ATOM 1256 CA PRO A 81 18.596 -2.405 1.884 1.00 0.44 C ATOM 1257 C PRO A 81 17.941 -3.498 2.705 1.00 0.54 C ATOM 1258 O PRO A 81 17.854 -4.649 2.279 1.00 1.33 O ATOM 1259 CB PRO A 81 20.110 -2.477 2.052 1.00 0.50 C ATOM 1260 CG PRO A 81 20.435 -1.446 3.075 1.00 0.57 C ATOM 1261 CD PRO A 81 19.447 -0.340 2.861 1.00 0.49 C ATOM 0 HA PRO A 81 18.244 -2.567 0.865 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.424 -3.469 2.378 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.621 -2.274 1.111 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.354 -1.854 4.082 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.457 -1.086 2.958 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.229 0.191 3.788 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.817 0.399 2.150 1.00 0.49 H new ATOM 1269 N ALA A 82 17.472 -3.134 3.878 1.00 0.81 N ATOM 1270 CA ALA A 82 16.893 -4.100 4.780 1.00 0.88 C ATOM 1271 C ALA A 82 15.390 -4.217 4.588 1.00 0.77 C ATOM 1272 O ALA A 82 14.709 -4.805 5.424 1.00 0.91 O ATOM 1273 CB ALA A 82 17.214 -3.732 6.219 1.00 1.12 C ATOM 0 H ALA A 82 17.481 -2.176 4.228 1.00 0.81 H new ATOM 0 HA ALA A 82 17.331 -5.072 4.552 1.00 0.88 H new ATOM 0 HB1 ALA A 82 16.772 -4.468 6.890 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.295 -3.717 6.358 1.00 1.12 H new ATOM 0 HB3 ALA A 82 16.806 -2.746 6.442 1.00 1.12 H new ATOM 1279 N PHE A 83 14.854 -3.666 3.500 1.00 0.64 N ATOM 1280 CA PHE A 83 13.439 -3.749 3.269 1.00 0.68 C ATOM 1281 C PHE A 83 13.100 -5.007 2.495 1.00 0.76 C ATOM 1282 O PHE A 83 12.441 -5.902 3.022 1.00 1.24 O ATOM 1283 CB PHE A 83 12.970 -2.501 2.512 1.00 0.74 C ATOM 1284 CG PHE A 83 12.942 -1.246 3.347 1.00 0.70 C ATOM 1285 CD1 PHE A 83 13.106 -1.315 4.722 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.748 0.008 2.764 1.00 0.75 C ATOM 1287 CE1 PHE A 83 13.082 -0.179 5.499 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.724 1.148 3.542 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.892 1.052 4.909 1.00 0.88 C ATOM 0 H PHE A 83 15.381 -3.167 2.783 1.00 0.64 H new ATOM 0 HA PHE A 83 12.921 -3.796 4.227 1.00 0.68 H new ATOM 0 HB2 PHE A 83 13.626 -2.340 1.657 1.00 0.74 H new ATOM 0 HB3 PHE A 83 11.971 -2.684 2.117 1.00 0.74 H new ATOM 0 HD1 PHE A 83 13.255 -2.276 5.191 1.00 0.80 H new ATOM 0 HD2 PHE A 83 12.616 0.087 1.695 1.00 0.75 H new ATOM 0 HE1 PHE A 83 13.212 -0.252 6.569 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.574 2.114 3.082 1.00 0.83 H new ATOM 0 HZ PHE A 83 12.874 1.944 5.518 1.00 0.88 H new ATOM 1299 N THR A 84 13.646 -5.106 1.289 1.00 0.55 N ATOM 1300 CA THR A 84 13.085 -5.963 0.264 1.00 0.58 C ATOM 1301 C THR A 84 11.576 -5.895 0.405 1.00 0.80 C ATOM 1302 O THR A 84 10.889 -6.874 0.701 1.00 1.22 O ATOM 1303 CB THR A 84 13.598 -7.395 0.346 1.00 0.97 C ATOM 1304 OG1 THR A 84 15.032 -7.390 0.379 1.00 1.10 O ATOM 1305 CG2 THR A 84 13.117 -8.203 -0.857 1.00 1.17 C ATOM 0 H THR A 84 14.482 -4.598 1.000 1.00 0.55 H new ATOM 0 HA THR A 84 13.397 -5.613 -0.720 1.00 0.58 H new ATOM 0 HB THR A 84 13.212 -7.855 1.255 1.00 0.97 H new ATOM 0 HG1 THR A 84 15.361 -8.311 0.433 1.00 1.10 H new ATOM 0 HG21 THR A 84 13.492 -9.224 -0.783 1.00 1.17 H new ATOM 0 HG22 THR A 84 12.027 -8.217 -0.874 1.00 1.17 H new ATOM 0 HG23 THR A 84 13.488 -7.746 -1.774 1.00 1.17 H new ATOM 1313 N GLY A 85 11.114 -4.680 0.184 1.00 0.87 N ATOM 1314 CA GLY A 85 9.828 -4.235 0.638 1.00 1.43 C ATOM 1315 C GLY A 85 8.692 -4.911 -0.030 1.00 0.96 C ATOM 1316 O GLY A 85 8.191 -4.484 -1.060 1.00 1.29 O ATOM 0 H GLY A 85 11.637 -3.968 -0.326 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.756 -4.400 1.713 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.747 -3.160 0.474 1.00 1.43 H new ATOM 1320 N GLY A 86 8.300 -5.960 0.584 1.00 0.52 N ATOM 1321 CA GLY A 86 7.084 -6.599 0.242 1.00 0.52 C ATOM 1322 C GLY A 86 5.984 -5.913 0.974 1.00 0.40 C ATOM 1323 O GLY A 86 5.593 -6.292 2.074 1.00 0.43 O ATOM 0 H GLY A 86 8.815 -6.405 1.344 1.00 0.52 H new ATOM 0 HA2 GLY A 86 6.916 -6.548 -0.834 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.120 -7.655 0.510 1.00 0.52 H new ATOM 1327 N TYR A 87 5.572 -4.828 0.396 1.00 0.34 N ATOM 1328 CA TYR A 87 4.509 -4.036 0.941 1.00 0.28 C ATOM 1329 C TYR A 87 3.204 -4.758 0.681 1.00 0.30 C ATOM 1330 O TYR A 87 2.982 -5.266 -0.417 1.00 0.39 O ATOM 1331 CB TYR A 87 4.499 -2.651 0.304 1.00 0.35 C ATOM 1332 CG TYR A 87 5.717 -1.813 0.623 1.00 0.39 C ATOM 1333 CD1 TYR A 87 6.970 -2.203 0.189 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.619 -0.638 1.358 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.088 -1.451 0.481 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.736 0.120 1.654 1.00 0.54 C ATOM 1337 CZ TYR A 87 7.941 -0.250 1.204 1.00 0.54 C ATOM 1338 OH TYR A 87 9.087 0.459 1.496 1.00 0.63 O ATOM 0 H TYR A 87 5.964 -4.463 -0.472 1.00 0.34 H new ATOM 0 HA TYR A 87 4.649 -3.902 2.014 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.421 -2.761 -0.778 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.608 -2.118 0.635 1.00 0.35 H new ATOM 0 HD1 TYR A 87 7.075 -3.110 -0.387 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.650 -0.310 1.705 1.00 0.47 H new ATOM 0 HE1 TYR A 87 9.066 -1.778 0.159 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.636 1.015 2.251 1.00 0.54 H new ATOM 0 HH TYR A 87 9.754 0.305 0.795 1.00 0.63 H new ATOM 1348 N ARG A 88 2.361 -4.839 1.683 1.00 0.33 N ATOM 1349 CA ARG A 88 1.102 -5.534 1.541 1.00 0.36 C ATOM 1350 C ARG A 88 -0.034 -4.629 1.951 1.00 0.36 C ATOM 1351 O ARG A 88 0.071 -3.895 2.928 1.00 0.60 O ATOM 1352 CB ARG A 88 1.063 -6.800 2.403 1.00 0.42 C ATOM 1353 CG ARG A 88 2.114 -7.840 2.053 1.00 1.09 C ATOM 1354 CD ARG A 88 1.944 -9.084 2.908 1.00 1.23 C ATOM 1355 NE ARG A 88 3.002 -10.068 2.689 1.00 1.73 N ATOM 1356 CZ ARG A 88 3.378 -10.959 3.604 1.00 2.17 C ATOM 1357 NH1 ARG A 88 2.772 -10.997 4.785 1.00 2.11 N ATOM 1358 NH2 ARG A 88 4.352 -11.818 3.330 1.00 3.15 N ATOM 0 H ARG A 88 2.523 -4.433 2.605 1.00 0.33 H new ATOM 0 HA ARG A 88 0.998 -5.819 0.494 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.187 -6.515 3.448 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.077 -7.255 2.311 1.00 0.42 H new ATOM 0 HG2 ARG A 88 2.035 -8.104 0.998 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.110 -7.423 2.203 1.00 1.09 H new ATOM 0 HD2 ARG A 88 1.932 -8.798 3.960 1.00 1.23 H new ATOM 0 HD3 ARG A 88 0.978 -9.540 2.690 1.00 1.23 H new ATOM 0 HE ARG A 88 3.478 -10.072 1.787 1.00 1.73 H new ATOM 0 HH11 ARG A 88 2.017 -10.343 4.992 1.00 2.11 H new ATOM 0 HH12 ARG A 88 3.061 -11.680 5.485 1.00 2.11 H new ATOM 0 HH21 ARG A 88 4.811 -11.795 2.420 1.00 3.15 H new ATOM 0 HH22 ARG A 88 4.641 -12.501 4.030 1.00 3.15 H new ATOM 1372 N CYS A 89 -1.104 -4.659 1.193 1.00 0.26 N ATOM 1373 CA CYS A 89 -2.329 -4.034 1.637 1.00 0.27 C ATOM 1374 C CYS A 89 -3.347 -5.114 1.898 1.00 0.25 C ATOM 1375 O CYS A 89 -3.748 -5.844 0.989 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.916 -3.085 0.612 1.00 0.39 C ATOM 1377 SG CYS A 89 -1.722 -2.056 -0.251 1.00 1.08 S ATOM 0 H CYS A 89 -1.153 -5.104 0.276 1.00 0.26 H new ATOM 0 HA CYS A 89 -2.092 -3.457 2.531 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -3.469 -3.668 -0.125 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -3.636 -2.437 1.111 1.00 0.39 H new ATOM 0 HG CYS A 89 -1.084 -2.774 -1.127 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.749 -5.222 3.130 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.777 -6.159 3.506 1.00 0.28 C ATOM 1385 C GLU A 90 -6.014 -5.358 3.875 1.00 0.26 C ATOM 1386 O GLU A 90 -6.077 -4.750 4.946 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.285 -7.017 4.673 1.00 0.35 C ATOM 1388 CG GLU A 90 -3.001 -7.780 4.362 1.00 1.19 C ATOM 1389 CD GLU A 90 -2.465 -8.559 5.548 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -2.449 -8.006 6.669 1.00 1.81 O ATOM 1391 OE2 GLU A 90 -2.088 -9.739 5.380 1.00 1.43 O ATOM 0 H GLU A 90 -3.379 -4.668 3.902 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.020 -6.837 2.687 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -4.119 -6.378 5.540 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -5.065 -7.728 4.946 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -3.186 -8.468 3.537 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -2.240 -7.076 4.025 1.00 1.19 H new ATOM 1398 N VAL A 91 -6.971 -5.310 2.960 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.135 -4.469 3.147 1.00 0.22 C ATOM 1400 C VAL A 91 -9.314 -5.266 3.651 1.00 0.22 C ATOM 1401 O VAL A 91 -9.615 -6.365 3.163 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.526 -3.698 1.865 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.701 -4.640 0.688 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -9.787 -2.865 2.088 1.00 0.51 C ATOM 0 H VAL A 91 -6.962 -5.840 2.089 1.00 0.24 H new ATOM 0 HA VAL A 91 -7.857 -3.732 3.901 1.00 0.22 H new ATOM 0 HB VAL A 91 -7.709 -3.016 1.628 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -8.976 -4.068 -0.198 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -7.766 -5.169 0.503 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.487 -5.361 0.913 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.039 -2.333 1.170 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.612 -3.521 2.366 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.611 -2.145 2.887 1.00 0.51 H new ATOM 1414 N SER A 92 -9.976 -4.680 4.624 1.00 0.22 N ATOM 1415 CA SER A 92 -11.124 -5.275 5.257 1.00 0.25 C ATOM 1416 C SER A 92 -12.229 -4.245 5.275 1.00 0.26 C ATOM 1417 O SER A 92 -12.152 -3.235 5.973 1.00 0.30 O ATOM 1418 CB SER A 92 -10.783 -5.737 6.683 1.00 0.32 C ATOM 1419 OG SER A 92 -11.921 -6.275 7.344 1.00 1.18 O ATOM 0 H SER A 92 -9.726 -3.765 5.000 1.00 0.22 H new ATOM 0 HA SER A 92 -11.443 -6.157 4.702 1.00 0.25 H new ATOM 0 HB2 SER A 92 -9.995 -6.489 6.644 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.393 -4.895 7.255 1.00 0.32 H new ATOM 0 HG SER A 92 -11.670 -6.561 8.247 1.00 1.18 H new ATOM 1425 N THR A 93 -13.230 -4.476 4.464 1.00 0.28 N ATOM 1426 CA THR A 93 -14.353 -3.585 4.379 1.00 0.35 C ATOM 1427 C THR A 93 -15.601 -4.400 4.496 1.00 0.39 C ATOM 1428 O THR A 93 -15.534 -5.588 4.218 1.00 0.59 O ATOM 1429 CB THR A 93 -14.352 -2.860 3.048 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.004 -2.596 2.657 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.103 -1.557 3.141 1.00 0.57 C ATOM 0 H THR A 93 -13.287 -5.286 3.846 1.00 0.28 H new ATOM 0 HA THR A 93 -14.297 -2.845 5.177 1.00 0.35 H new ATOM 0 HB THR A 93 -14.845 -3.493 2.310 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.465 -2.403 3.452 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.087 -1.058 2.172 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.135 -1.752 3.431 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.631 -0.917 3.887 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.705 -3.746 4.882 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.020 -4.375 5.108 1.00 0.43 C ATOM 1441 C LYS A 94 -17.993 -5.903 5.124 1.00 0.42 C ATOM 1442 O LYS A 94 -18.103 -6.533 6.175 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.070 -3.869 4.098 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.552 -3.349 2.750 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.125 -4.441 1.774 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.174 -5.539 1.586 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.559 -5.023 1.420 1.00 0.65 N ATOM 0 H LYS A 94 -16.712 -2.740 5.051 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.308 -4.066 6.113 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.768 -4.682 3.901 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.638 -3.069 4.573 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.331 -2.746 2.283 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.704 -2.689 2.931 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -17.908 -3.988 0.807 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.199 -4.892 2.129 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.911 -6.134 0.712 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.146 -6.207 2.447 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.225 -5.821 1.383 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.799 -4.409 2.224 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.623 -4.478 0.537 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.816 -6.466 3.950 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.829 -7.879 3.743 1.00 0.40 C ATOM 1463 C ASP A 95 -16.847 -8.259 2.635 1.00 0.37 C ATOM 1464 O ASP A 95 -16.659 -9.435 2.356 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.235 -8.298 3.356 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.638 -9.635 3.937 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -19.811 -9.717 5.167 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -19.776 -10.606 3.169 1.00 1.05 O ATOM 0 H ASP A 95 -17.656 -5.931 3.096 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.527 -8.388 4.658 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.939 -7.536 3.690 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.308 -8.344 2.269 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.204 -7.260 2.008 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.306 -7.538 0.912 1.00 0.29 C ATOM 1475 C LYS A 96 -13.902 -7.620 1.450 1.00 0.27 C ATOM 1476 O LYS A 96 -13.457 -6.759 2.211 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.354 -6.514 -0.244 1.00 0.30 C ATOM 1478 CG LYS A 96 -15.846 -7.133 -1.540 1.00 0.56 C ATOM 1479 CD LYS A 96 -14.763 -7.982 -2.190 1.00 0.82 C ATOM 1480 CE LYS A 96 -15.328 -8.957 -3.216 1.00 1.00 C ATOM 1481 NZ LYS A 96 -16.278 -8.310 -4.157 1.00 1.29 N ATOM 0 H LYS A 96 -16.297 -6.273 2.248 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.635 -8.482 0.478 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.008 -5.687 0.033 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.359 -6.096 -0.398 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -16.724 -7.748 -1.342 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -16.156 -6.346 -2.227 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -14.036 -7.330 -2.674 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -14.229 -8.538 -1.419 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -14.508 -9.400 -3.781 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -15.834 -9.771 -2.698 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -16.515 -8.973 -4.922 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -17.145 -8.045 -3.648 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -15.840 -7.458 -4.561 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.243 -8.678 1.092 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.891 -8.917 1.560 1.00 0.29 C ATOM 1497 C PHE A 97 -10.949 -9.293 0.433 1.00 0.32 C ATOM 1498 O PHE A 97 -11.214 -10.207 -0.352 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.898 -10.007 2.608 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.584 -10.194 3.312 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -10.157 -9.279 4.260 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.780 -11.279 3.018 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -8.947 -9.444 4.904 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -8.569 -11.451 3.659 1.00 0.77 C ATOM 1505 CZ PHE A 97 -8.162 -10.546 4.623 1.00 0.74 C ATOM 0 H PHE A 97 -13.612 -9.400 0.474 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.526 -7.985 1.992 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.665 -9.779 3.348 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -12.181 -10.948 2.136 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -10.777 -8.427 4.498 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -10.102 -11.999 2.280 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -8.615 -8.713 5.626 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.940 -12.292 3.408 1.00 0.77 H new ATOM 0 HZ PHE A 97 -7.234 -10.700 5.154 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.844 -8.582 0.387 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.764 -8.860 -0.559 1.00 0.43 C ATOM 1517 C ASP A 98 -7.425 -8.434 0.039 1.00 0.36 C ATOM 1518 O ASP A 98 -7.386 -7.638 0.979 1.00 0.36 O ATOM 1519 CB ASP A 98 -8.983 -8.118 -1.879 1.00 0.56 C ATOM 1520 CG ASP A 98 -9.956 -8.799 -2.822 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -9.577 -9.825 -3.430 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.091 -8.302 -2.986 1.00 1.60 O ATOM 0 H ASP A 98 -9.660 -7.790 1.003 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.759 -9.932 -0.756 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.347 -7.114 -1.662 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.023 -8.007 -2.384 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.331 -8.969 -0.499 1.00 0.35 N ATOM 1528 CA CYS A 99 -4.992 -8.581 -0.061 1.00 0.30 C ATOM 1529 C CYS A 99 -4.046 -8.493 -1.252 1.00 0.32 C ATOM 1530 O CYS A 99 -4.170 -9.256 -2.208 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.444 -9.571 0.963 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.526 -9.820 2.387 1.00 1.19 S ATOM 0 H CYS A 99 -6.345 -9.672 -1.238 1.00 0.35 H new ATOM 0 HA CYS A 99 -5.065 -7.600 0.409 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -4.277 -10.530 0.474 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -3.474 -9.218 1.313 1.00 0.34 H new ATOM 0 HG CYS A 99 -6.468 -8.925 2.378 1.00 1.19 H new ATOM 1538 N SER A 100 -3.108 -7.563 -1.194 1.00 0.27 N ATOM 1539 CA SER A 100 -2.205 -7.325 -2.319 1.00 0.30 C ATOM 1540 C SER A 100 -0.749 -7.383 -1.870 1.00 0.31 C ATOM 1541 O SER A 100 -0.395 -6.834 -0.827 1.00 0.42 O ATOM 1542 CB SER A 100 -2.533 -5.969 -2.972 1.00 0.38 C ATOM 1543 OG SER A 100 -2.344 -4.884 -2.073 1.00 0.84 O ATOM 0 H SER A 100 -2.948 -6.961 -0.387 1.00 0.27 H new ATOM 0 HA SER A 100 -2.349 -8.112 -3.060 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.901 -5.827 -3.849 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.566 -5.975 -3.320 1.00 0.38 H new ATOM 0 HG SER A 100 -2.467 -5.197 -1.152 1.00 0.84 H new ATOM 1549 N ASN A 101 0.087 -8.061 -2.646 1.00 0.34 N ATOM 1550 CA ASN A 101 1.502 -8.174 -2.310 1.00 0.37 C ATOM 1551 C ASN A 101 2.380 -7.633 -3.440 1.00 0.42 C ATOM 1552 O ASN A 101 2.184 -7.952 -4.613 1.00 0.65 O ATOM 1553 CB ASN A 101 1.874 -9.622 -1.935 1.00 0.60 C ATOM 1554 CG ASN A 101 1.994 -10.605 -3.099 1.00 0.97 C ATOM 1555 OD1 ASN A 101 2.782 -11.548 -3.025 1.00 1.58 O ATOM 1556 ND2 ASN A 101 1.230 -10.419 -4.165 1.00 1.05 N ATOM 0 H ASN A 101 -0.186 -8.538 -3.505 1.00 0.34 H new ATOM 0 HA ASN A 101 1.690 -7.558 -1.431 1.00 0.37 H new ATOM 0 HB2 ASN A 101 2.823 -9.605 -1.400 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.124 -10.001 -1.241 1.00 0.60 H new ATOM 0 HD21 ASN A 101 1.286 -11.066 -4.952 1.00 1.05 H new ATOM 0 HD22 ASN A 101 0.586 -9.629 -4.199 1.00 1.05 H new ATOM 1563 N PHE A 102 3.292 -6.744 -3.080 1.00 0.31 N ATOM 1564 CA PHE A 102 4.163 -6.090 -4.039 1.00 0.38 C ATOM 1565 C PHE A 102 5.549 -5.906 -3.432 1.00 0.30 C ATOM 1566 O PHE A 102 5.704 -5.241 -2.411 1.00 0.37 O ATOM 1567 CB PHE A 102 3.549 -4.751 -4.471 1.00 0.57 C ATOM 1568 CG PHE A 102 2.618 -4.126 -3.457 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.356 -4.640 -3.243 1.00 0.59 C ATOM 1570 CD2 PHE A 102 3.010 -3.016 -2.720 1.00 0.61 C ATOM 1571 CE1 PHE A 102 0.501 -4.060 -2.328 1.00 0.74 C ATOM 1572 CE2 PHE A 102 2.158 -2.431 -1.812 1.00 0.84 C ATOM 1573 CZ PHE A 102 0.917 -3.006 -1.570 1.00 0.86 C ATOM 0 H PHE A 102 3.448 -6.457 -2.114 1.00 0.31 H new ATOM 0 HA PHE A 102 4.267 -6.711 -4.929 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.355 -4.049 -4.685 1.00 0.57 H new ATOM 0 HB3 PHE A 102 3.002 -4.901 -5.402 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.033 -5.508 -3.799 1.00 0.59 H new ATOM 0 HD2 PHE A 102 3.999 -2.606 -2.862 1.00 0.61 H new ATOM 0 HE1 PHE A 102 -0.502 -4.443 -2.212 1.00 0.74 H new ATOM 0 HE2 PHE A 102 2.452 -1.532 -1.291 1.00 0.84 H new ATOM 0 HZ PHE A 102 0.284 -2.620 -0.785 1.00 0.86 H new ATOM 1583 N ASN A 103 6.551 -6.511 -4.056 1.00 0.24 N ATOM 1584 CA ASN A 103 7.869 -6.596 -3.477 1.00 0.25 C ATOM 1585 C ASN A 103 8.861 -5.635 -4.109 1.00 0.28 C ATOM 1586 O ASN A 103 9.057 -5.593 -5.323 1.00 0.49 O ATOM 1587 CB ASN A 103 8.405 -8.017 -3.568 1.00 0.33 C ATOM 1588 CG ASN A 103 7.841 -8.802 -4.722 1.00 1.08 C ATOM 1589 OD1 ASN A 103 6.768 -9.399 -4.625 1.00 2.11 O ATOM 1590 ND2 ASN A 103 8.565 -8.831 -5.813 1.00 1.25 N ATOM 0 H ASN A 103 6.466 -6.952 -4.972 1.00 0.24 H new ATOM 0 HA ASN A 103 7.760 -6.307 -2.432 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.491 -7.982 -3.660 1.00 0.33 H new ATOM 0 HB3 ASN A 103 8.181 -8.541 -2.639 1.00 0.33 H new ATOM 0 HD21 ASN A 103 8.245 -9.362 -6.623 1.00 1.25 H new ATOM 0 HD22 ASN A 103 9.448 -8.323 -5.853 1.00 1.25 H new ATOM 1597 N LEU A 104 9.517 -4.915 -3.238 1.00 0.23 N ATOM 1598 CA LEU A 104 10.520 -3.931 -3.603 1.00 0.24 C ATOM 1599 C LEU A 104 11.904 -4.497 -3.360 1.00 0.25 C ATOM 1600 O LEU A 104 12.307 -4.717 -2.227 1.00 0.37 O ATOM 1601 CB LEU A 104 10.333 -2.623 -2.804 1.00 0.27 C ATOM 1602 CG LEU A 104 11.605 -1.870 -2.470 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.632 -0.566 -3.234 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.773 -1.631 -0.962 1.00 0.30 C ATOM 0 H LEU A 104 9.371 -4.993 -2.231 1.00 0.23 H new ATOM 0 HA LEU A 104 10.404 -3.698 -4.662 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.680 -1.962 -3.373 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.817 -2.858 -1.873 1.00 0.27 H new ATOM 0 HG LEU A 104 12.450 -2.488 -2.774 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.546 -0.023 -2.995 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.601 -0.771 -4.304 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.768 0.037 -2.955 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.701 -1.088 -0.781 1.00 0.30 H new ATOM 0 HD22 LEU A 104 10.932 -1.046 -0.590 1.00 0.30 H new ATOM 0 HD23 LEU A 104 11.806 -2.589 -0.443 1.00 0.30 H new ATOM 1616 N THR A 105 12.631 -4.733 -4.422 1.00 0.23 N ATOM 1617 CA THR A 105 13.967 -5.256 -4.299 1.00 0.24 C ATOM 1618 C THR A 105 14.942 -4.101 -4.215 1.00 0.21 C ATOM 1619 O THR A 105 15.300 -3.495 -5.226 1.00 0.22 O ATOM 1620 CB THR A 105 14.351 -6.175 -5.467 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.301 -7.128 -5.701 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.651 -6.910 -5.165 1.00 0.32 C ATOM 0 H THR A 105 12.321 -4.572 -5.380 1.00 0.23 H new ATOM 0 HA THR A 105 14.005 -5.860 -3.393 1.00 0.24 H new ATOM 0 HB THR A 105 14.494 -5.563 -6.358 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.549 -7.711 -6.448 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.907 -7.557 -6.004 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.450 -6.186 -5.008 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.527 -7.514 -4.266 1.00 0.32 H new ATOM 1630 N VAL A 106 15.325 -3.785 -3.001 1.00 0.23 N ATOM 1631 CA VAL A 106 16.230 -2.711 -2.740 1.00 0.23 C ATOM 1632 C VAL A 106 17.649 -3.186 -2.957 1.00 0.25 C ATOM 1633 O VAL A 106 18.166 -4.080 -2.287 1.00 0.28 O ATOM 1634 CB VAL A 106 16.056 -2.126 -1.327 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.167 -3.197 -0.277 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.038 -0.991 -1.103 1.00 0.33 C ATOM 0 H VAL A 106 15.010 -4.276 -2.164 1.00 0.23 H new ATOM 0 HA VAL A 106 16.004 -1.904 -3.437 1.00 0.23 H new ATOM 0 HB VAL A 106 15.052 -1.711 -1.240 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.040 -2.753 0.710 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.394 -3.948 -0.440 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.148 -3.668 -0.340 1.00 0.31 H new ATOM 0 HG21 VAL A 106 16.904 -0.587 -0.100 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.056 -1.364 -1.211 1.00 0.33 H new ATOM 0 HG23 VAL A 106 16.860 -0.206 -1.838 1.00 0.33 H new ATOM 1646 N HIS A 107 18.230 -2.586 -3.939 1.00 0.26 N ATOM 1647 CA HIS A 107 19.563 -2.904 -4.393 1.00 0.31 C ATOM 1648 C HIS A 107 20.583 -2.189 -3.543 1.00 0.34 C ATOM 1649 O HIS A 107 20.825 -0.996 -3.695 1.00 0.36 O ATOM 1650 CB HIS A 107 19.750 -2.512 -5.860 1.00 0.36 C ATOM 1651 CG HIS A 107 19.073 -3.418 -6.836 1.00 0.43 C ATOM 1652 ND1 HIS A 107 19.625 -3.748 -8.048 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.871 -4.041 -6.791 1.00 0.70 C ATOM 1654 CE1 HIS A 107 18.798 -4.528 -8.708 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.725 -4.725 -7.971 1.00 0.53 N ATOM 0 H HIS A 107 17.787 -1.837 -4.471 1.00 0.26 H new ATOM 0 HA HIS A 107 19.704 -3.981 -4.302 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.374 -1.499 -6.003 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.817 -2.490 -6.084 1.00 0.36 H new ATOM 0 HD2 HIS A 107 17.161 -4.006 -5.978 1.00 0.70 H new ATOM 0 HE1 HIS A 107 18.970 -4.939 -9.692 1.00 1.10 H new ATOM 0 HE2 HIS A 107 16.919 -5.292 -8.234 1.00 0.53 H new ATOM 1664 N GLU A 108 21.126 -2.931 -2.618 1.00 0.45 N ATOM 1665 CA GLU A 108 22.276 -2.488 -1.838 1.00 0.56 C ATOM 1666 C GLU A 108 23.541 -2.650 -2.677 1.00 0.71 C ATOM 1667 O GLU A 108 24.279 -1.696 -2.918 1.00 1.33 O ATOM 1668 CB GLU A 108 22.391 -3.322 -0.558 1.00 0.71 C ATOM 1669 CG GLU A 108 22.983 -2.582 0.637 1.00 0.87 C ATOM 1670 CD GLU A 108 24.387 -2.068 0.413 1.00 1.20 C ATOM 1671 OE1 GLU A 108 25.256 -2.871 0.008 1.00 1.67 O ATOM 1672 OE2 GLU A 108 24.618 -0.860 0.598 1.00 1.66 O ATOM 0 H GLU A 108 20.792 -3.863 -2.374 1.00 0.45 H new ATOM 0 HA GLU A 108 22.150 -1.440 -1.565 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.400 -3.685 -0.288 1.00 0.71 H new ATOM 0 HB3 GLU A 108 23.006 -4.198 -0.766 1.00 0.71 H new ATOM 0 HG2 GLU A 108 22.336 -1.741 0.887 1.00 0.87 H new ATOM 0 HG3 GLU A 108 22.985 -3.249 1.499 1.00 0.87 H new ATOM 1679 N ALA A 109 23.762 -3.876 -3.132 1.00 1.29 N ATOM 1680 CA ALA A 109 24.936 -4.201 -3.921 1.00 1.54 C ATOM 1681 C ALA A 109 24.764 -3.737 -5.362 1.00 2.12 C ATOM 1682 O ALA A 109 23.682 -3.846 -5.944 1.00 2.78 O ATOM 1683 CB ALA A 109 25.214 -5.696 -3.870 1.00 2.44 C ATOM 0 H ALA A 109 23.137 -4.665 -2.965 1.00 1.29 H new ATOM 0 HA ALA A 109 25.791 -3.676 -3.495 1.00 1.54 H new ATOM 0 HB1 ALA A 109 26.098 -5.922 -4.467 1.00 2.44 H new ATOM 0 HB2 ALA A 109 25.386 -5.999 -2.837 1.00 2.44 H new ATOM 0 HB3 ALA A 109 24.357 -6.239 -4.269 1.00 2.44 H new ATOM 1689 N MET A 110 25.835 -3.208 -5.924 1.00 2.77 N ATOM 1690 CA MET A 110 25.836 -2.741 -7.298 1.00 3.92 C ATOM 1691 C MET A 110 26.568 -3.743 -8.185 1.00 4.80 C ATOM 1692 O MET A 110 27.816 -3.706 -8.243 1.00 5.41 O ATOM 1693 CB MET A 110 26.465 -1.344 -7.393 1.00 4.52 C ATOM 1694 CG MET A 110 27.795 -1.210 -6.663 1.00 5.33 C ATOM 1695 SD MET A 110 28.481 0.456 -6.762 1.00 6.12 S ATOM 1696 CE MET A 110 28.736 0.609 -8.527 1.00 6.92 C ATOM 1697 OXT MET A 110 25.892 -4.589 -8.800 1.00 5.23 O ATOM 0 H MET A 110 26.726 -3.090 -5.443 1.00 2.77 H new ATOM 0 HA MET A 110 24.807 -2.662 -7.649 1.00 3.92 H new ATOM 0 HB2 MET A 110 26.613 -1.094 -8.444 1.00 4.52 H new ATOM 0 HB3 MET A 110 25.765 -0.614 -6.987 1.00 4.52 H new ATOM 0 HG2 MET A 110 27.659 -1.480 -5.616 1.00 5.33 H new ATOM 0 HG3 MET A 110 28.509 -1.918 -7.085 1.00 5.33 H new ATOM 0 HE1 MET A 110 29.446 1.412 -8.724 1.00 6.92 H new ATOM 0 HE2 MET A 110 29.130 -0.328 -8.920 1.00 6.92 H new ATOM 0 HE3 MET A 110 27.787 0.836 -9.013 1.00 6.92 H new TER 1707 MET A 110