USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 827 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 43 LYS NZ :NH3+ -125:sc= 1.82 (180deg=-1.07) USER MOD Set 1.2: A 56 HIS : no HD1:sc= -0.307 K(o=1.5,f=0.83) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.64! K(o=-1.6!,f=-0.72) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 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= 0.0276 USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0362) USER MOD Single : A 40 LYS NZ :NH3+ -142:sc= 0.00721 (180deg=0) 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+ -147:sc= 0.179 (180deg=-2.06!) USER MOD Single : A 55 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.6!) USER MOD Single : A 58 GLN : amide:sc= -2.19 K(o=-2.2,f=-0.71) USER MOD Single : A 60 HIS : no HE2:sc= -0.972 X(o=-0.97,f=-1.4) USER MOD Single : A 62 SER OG : rot 74:sc= 0.789 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 171:sc= 0.522 (180deg=0.349) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0.878 K(o=0.88,f=-4.7!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -4.36! C(o=-4.4!,f=-2.4!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 87 TYR OH : rot 110:sc= -0.0683 USER MOD Single : A 89 CYS SG : rot 94:sc= 1.76 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -38:sc= -4.16! USER MOD Single : A 94 LYS NZ :NH3+ -122:sc= -8.01! (180deg=-14.9!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 76:sc= -0.0843 USER MOD Single : A 101 ASN : amide:sc= 0.12 K(o=0.12,f=-0.57) USER MOD Single : A 103 ASN : amide:sc= 1.2 K(o=1.2,f=-0.089) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -20.001 -8.800 -0.740 1.00 0.70 N ATOM 14 CA ASP A 2 -21.043 -8.130 -1.488 1.00 0.72 C ATOM 15 C ASP A 2 -20.399 -7.264 -2.581 1.00 0.70 C ATOM 16 O ASP A 2 -19.272 -6.796 -2.398 1.00 0.75 O ATOM 17 CB ASP A 2 -21.816 -7.301 -0.478 1.00 0.79 C ATOM 18 CG ASP A 2 -22.809 -6.320 -1.068 1.00 1.04 C ATOM 19 OD1 ASP A 2 -23.902 -6.767 -1.470 1.00 1.11 O ATOM 20 OD2 ASP A 2 -22.484 -5.122 -1.172 1.00 1.65 O ATOM 0 HA ASP A 2 -21.718 -8.822 -1.992 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -22.351 -7.977 0.189 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -21.104 -6.748 0.134 1.00 0.79 H new ATOM 25 N PRO A 3 -21.076 -7.080 -3.736 1.00 0.71 N ATOM 26 CA PRO A 3 -20.530 -6.342 -4.896 1.00 0.72 C ATOM 27 C PRO A 3 -19.993 -4.942 -4.569 1.00 0.66 C ATOM 28 O PRO A 3 -20.747 -3.976 -4.458 1.00 0.97 O ATOM 29 CB PRO A 3 -21.723 -6.240 -5.844 1.00 0.84 C ATOM 30 CG PRO A 3 -22.573 -7.410 -5.500 1.00 0.94 C ATOM 31 CD PRO A 3 -22.423 -7.604 -4.019 1.00 0.81 C ATOM 0 HA PRO A 3 -19.663 -6.862 -5.304 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -22.262 -5.303 -5.704 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -21.406 -6.273 -6.886 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -23.614 -7.229 -5.767 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -22.254 -8.299 -6.045 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -23.189 -7.062 -3.464 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.511 -8.654 -3.741 1.00 0.81 H new ATOM 39 N ILE A 4 -18.679 -4.853 -4.419 1.00 0.45 N ATOM 40 CA ILE A 4 -17.990 -3.587 -4.174 1.00 0.41 C ATOM 41 C ILE A 4 -16.907 -3.373 -5.215 1.00 0.41 C ATOM 42 O ILE A 4 -16.933 -2.403 -5.969 1.00 0.50 O ATOM 43 CB ILE A 4 -17.363 -3.541 -2.751 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.359 -2.994 -1.742 1.00 0.42 C ATOM 45 CG2 ILE A 4 -16.088 -2.708 -2.694 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.462 -3.947 -1.426 1.00 0.46 C ATOM 0 H ILE A 4 -18.055 -5.659 -4.463 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.730 -2.790 -4.244 1.00 0.41 H new ATOM 0 HB ILE A 4 -17.103 -4.569 -2.501 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.832 -2.741 -0.822 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.787 -2.069 -2.129 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.696 -2.712 -1.677 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.346 -3.132 -3.371 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.309 -1.683 -2.993 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -20.137 -3.494 -0.700 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -20.013 -4.181 -2.337 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -19.043 -4.863 -1.010 1.00 0.46 H new ATOM 58 N GLY A 5 -15.964 -4.299 -5.255 1.00 0.36 N ATOM 59 CA GLY A 5 -14.809 -4.124 -6.103 1.00 0.39 C ATOM 60 C GLY A 5 -13.765 -3.371 -5.340 1.00 0.33 C ATOM 61 O GLY A 5 -13.199 -2.384 -5.802 1.00 0.33 O ATOM 0 H GLY A 5 -15.978 -5.165 -4.717 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.422 -5.093 -6.419 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -15.083 -3.580 -7.007 1.00 0.39 H new ATOM 65 N LEU A 6 -13.541 -3.877 -4.144 1.00 0.32 N ATOM 66 CA LEU A 6 -12.768 -3.217 -3.119 1.00 0.29 C ATOM 67 C LEU A 6 -11.359 -2.967 -3.599 1.00 0.29 C ATOM 68 O LEU A 6 -10.798 -1.892 -3.395 1.00 0.33 O ATOM 69 CB LEU A 6 -12.770 -4.106 -1.883 1.00 0.29 C ATOM 70 CG LEU A 6 -12.524 -3.407 -0.556 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.542 -2.299 -0.319 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.577 -4.429 0.556 1.00 0.28 C ATOM 0 H LEU A 6 -13.904 -4.785 -3.853 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.207 -2.248 -2.880 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.732 -4.616 -1.829 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -12.008 -4.875 -2.012 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.539 -2.941 -0.577 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.340 -1.818 0.638 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.470 -1.562 -1.118 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.546 -2.724 -0.307 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.401 -3.936 1.512 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.558 -4.904 0.567 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.810 -5.186 0.392 1.00 0.28 H new ATOM 84 N PHE A 7 -10.807 -3.954 -4.265 1.00 0.30 N ATOM 85 CA PHE A 7 -9.483 -3.829 -4.798 1.00 0.32 C ATOM 86 C PHE A 7 -9.551 -3.272 -6.208 1.00 0.29 C ATOM 87 O PHE A 7 -9.598 -4.015 -7.190 1.00 0.32 O ATOM 88 CB PHE A 7 -8.771 -5.168 -4.772 1.00 0.41 C ATOM 89 CG PHE A 7 -7.454 -5.112 -4.065 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.381 -5.286 -2.694 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.294 -4.889 -4.768 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.164 -5.249 -2.040 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.075 -4.846 -4.125 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.007 -5.027 -2.762 1.00 0.61 C ATOM 0 H PHE A 7 -11.259 -4.850 -4.447 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.911 -3.138 -4.179 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.409 -5.904 -4.283 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.615 -5.511 -5.795 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.286 -5.453 -2.128 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.338 -4.746 -5.838 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -6.118 -5.393 -0.971 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.172 -4.670 -4.691 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.052 -4.996 -2.258 1.00 0.61 H new ATOM 104 N VAL A 8 -9.616 -1.957 -6.283 1.00 0.28 N ATOM 105 CA VAL A 8 -9.695 -1.260 -7.557 1.00 0.34 C ATOM 106 C VAL A 8 -8.355 -1.330 -8.283 1.00 0.44 C ATOM 107 O VAL A 8 -8.294 -1.656 -9.469 1.00 0.63 O ATOM 108 CB VAL A 8 -10.102 0.215 -7.365 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.346 0.892 -8.705 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.332 0.318 -6.473 1.00 0.33 C ATOM 0 H VAL A 8 -9.616 -1.342 -5.469 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.460 -1.753 -8.157 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.279 0.734 -6.874 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.632 1.931 -8.541 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.435 0.856 -9.302 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.147 0.375 -9.234 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.605 1.366 -6.349 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.161 -0.220 -6.933 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.112 -0.118 -5.498 1.00 0.33 H new ATOM 120 N MET A 9 -7.283 -1.026 -7.560 1.00 0.43 N ATOM 121 CA MET A 9 -5.938 -1.139 -8.104 1.00 0.65 C ATOM 122 C MET A 9 -5.004 -1.773 -7.100 1.00 0.44 C ATOM 123 O MET A 9 -4.961 -1.367 -5.937 1.00 0.44 O ATOM 124 CB MET A 9 -5.368 0.205 -8.519 1.00 1.05 C ATOM 125 CG MET A 9 -5.963 0.727 -9.806 1.00 1.45 C ATOM 126 SD MET A 9 -5.658 -0.374 -11.202 1.00 2.35 S ATOM 127 CE MET A 9 -6.412 0.566 -12.526 1.00 2.88 C ATOM 0 H MET A 9 -7.321 -0.699 -6.595 1.00 0.43 H new ATOM 0 HA MET A 9 -6.019 -1.769 -8.990 1.00 0.65 H new ATOM 0 HB2 MET A 9 -5.544 0.929 -7.724 1.00 1.05 H new ATOM 0 HB3 MET A 9 -4.288 0.115 -8.635 1.00 1.05 H new ATOM 0 HG2 MET A 9 -7.038 0.859 -9.679 1.00 1.45 H new ATOM 0 HG3 MET A 9 -5.545 1.710 -10.024 1.00 1.45 H new ATOM 0 HE1 MET A 9 -6.309 0.020 -13.464 1.00 2.88 H new ATOM 0 HE2 MET A 9 -7.469 0.717 -12.308 1.00 2.88 H new ATOM 0 HE3 MET A 9 -5.917 1.533 -12.613 1.00 2.88 H new ATOM 137 N ARG A 10 -4.266 -2.763 -7.552 1.00 0.47 N ATOM 138 CA ARG A 10 -3.268 -3.397 -6.728 1.00 0.41 C ATOM 139 C ARG A 10 -1.935 -2.728 -6.985 1.00 0.39 C ATOM 140 O ARG A 10 -1.517 -2.600 -8.135 1.00 0.45 O ATOM 141 CB ARG A 10 -3.150 -4.889 -7.039 1.00 0.46 C ATOM 142 CG ARG A 10 -4.480 -5.571 -7.331 1.00 0.97 C ATOM 143 CD ARG A 10 -4.382 -7.084 -7.220 1.00 1.34 C ATOM 144 NE ARG A 10 -3.472 -7.660 -8.206 1.00 2.11 N ATOM 145 CZ ARG A 10 -3.224 -8.962 -8.308 1.00 2.72 C ATOM 146 NH1 ARG A 10 -3.819 -9.825 -7.491 1.00 2.74 N ATOM 147 NH2 ARG A 10 -2.377 -9.407 -9.222 1.00 3.67 N ATOM 0 H ARG A 10 -4.342 -3.147 -8.494 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.561 -3.293 -5.683 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.491 -5.019 -7.898 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -2.676 -5.389 -6.194 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -5.235 -5.205 -6.636 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -4.813 -5.302 -8.334 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -4.043 -7.350 -6.219 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -5.373 -7.519 -7.347 1.00 1.34 H new ATOM 0 HE ARG A 10 -3.000 -7.028 -8.853 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -4.470 -9.489 -6.781 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -3.625 -10.823 -7.574 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -1.913 -8.751 -9.850 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -2.188 -10.406 -9.299 1.00 3.67 H new ATOM 161 N PRO A 11 -1.247 -2.293 -5.936 1.00 0.43 N ATOM 162 CA PRO A 11 0.054 -1.681 -6.083 1.00 0.50 C ATOM 163 C PRO A 11 1.082 -2.769 -6.316 1.00 0.47 C ATOM 164 O PRO A 11 0.913 -3.896 -5.849 1.00 0.54 O ATOM 165 CB PRO A 11 0.254 -0.952 -4.758 1.00 0.62 C ATOM 166 CG PRO A 11 -0.509 -1.762 -3.773 1.00 0.64 C ATOM 167 CD PRO A 11 -1.648 -2.408 -4.528 1.00 0.53 C ATOM 0 HA PRO A 11 0.147 -0.996 -6.926 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.309 -0.893 -4.492 1.00 0.62 H new ATOM 0 HB3 PRO A 11 -0.120 0.071 -4.807 1.00 0.62 H new ATOM 0 HG2 PRO A 11 0.130 -2.518 -3.316 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -0.887 -1.134 -2.966 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -1.783 -3.449 -4.234 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.593 -1.899 -4.339 1.00 0.53 H new ATOM 175 N GLN A 12 2.113 -2.460 -7.065 1.00 0.44 N ATOM 176 CA GLN A 12 3.024 -3.472 -7.544 1.00 0.43 C ATOM 177 C GLN A 12 4.391 -3.327 -6.925 1.00 0.37 C ATOM 178 O GLN A 12 4.608 -2.442 -6.108 1.00 0.40 O ATOM 179 CB GLN A 12 3.084 -3.379 -9.054 1.00 0.55 C ATOM 180 CG GLN A 12 1.788 -3.840 -9.705 1.00 0.73 C ATOM 181 CD GLN A 12 1.456 -5.284 -9.374 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.767 -6.195 -10.140 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.870 -5.512 -8.204 1.00 1.32 N ATOM 0 H GLN A 12 2.343 -1.510 -7.357 1.00 0.44 H new ATOM 0 HA GLN A 12 2.662 -4.458 -7.251 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.290 -2.349 -9.346 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.911 -3.986 -9.422 1.00 0.55 H new ATOM 0 HG2 GLN A 12 0.971 -3.198 -9.376 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.867 -3.727 -10.786 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.627 -4.731 -7.595 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.664 -6.468 -7.915 1.00 1.32 H new ATOM 192 N ASP A 13 5.290 -4.224 -7.301 1.00 0.34 N ATOM 193 CA ASP A 13 6.592 -4.288 -6.770 1.00 0.33 C ATOM 194 C ASP A 13 7.429 -3.107 -7.219 1.00 0.36 C ATOM 195 O ASP A 13 6.960 -1.983 -7.401 1.00 0.50 O ATOM 196 CB ASP A 13 7.222 -5.586 -7.280 1.00 0.35 C ATOM 197 CG ASP A 13 6.300 -6.785 -7.160 1.00 1.04 C ATOM 198 OD1 ASP A 13 5.469 -6.993 -8.066 1.00 1.03 O ATOM 199 OD2 ASP A 13 6.404 -7.518 -6.150 1.00 2.06 O ATOM 0 H ASP A 13 5.102 -4.937 -8.006 1.00 0.34 H new ATOM 0 HA ASP A 13 6.550 -4.263 -5.681 1.00 0.33 H new ATOM 0 HB2 ASP A 13 7.507 -5.458 -8.324 1.00 0.35 H new ATOM 0 HB3 ASP A 13 8.137 -5.782 -6.721 1.00 0.35 H new ATOM 204 N GLY A 14 8.673 -3.408 -7.420 1.00 0.30 N ATOM 205 CA GLY A 14 9.639 -2.414 -7.786 1.00 0.30 C ATOM 206 C GLY A 14 10.999 -2.756 -7.273 1.00 0.25 C ATOM 207 O GLY A 14 11.196 -3.036 -6.091 1.00 0.28 O ATOM 0 H GLY A 14 9.051 -4.352 -7.335 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.672 -2.320 -8.871 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.333 -1.445 -7.391 1.00 0.30 H new ATOM 211 N GLU A 15 11.930 -2.739 -8.172 1.00 0.26 N ATOM 212 CA GLU A 15 13.303 -3.051 -7.857 1.00 0.25 C ATOM 213 C GLU A 15 14.131 -1.797 -8.018 1.00 0.23 C ATOM 214 O GLU A 15 14.285 -1.287 -9.127 1.00 0.30 O ATOM 215 CB GLU A 15 13.827 -4.165 -8.763 1.00 0.33 C ATOM 216 CG GLU A 15 12.917 -5.386 -8.829 1.00 0.69 C ATOM 217 CD GLU A 15 11.971 -5.357 -10.017 1.00 1.11 C ATOM 218 OE1 GLU A 15 10.885 -4.744 -9.921 1.00 1.53 O ATOM 219 OE2 GLU A 15 12.319 -5.950 -11.057 1.00 1.48 O ATOM 0 H GLU A 15 11.767 -2.508 -9.152 1.00 0.26 H new ATOM 0 HA GLU A 15 13.371 -3.406 -6.829 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.961 -3.769 -9.770 1.00 0.33 H new ATOM 0 HB3 GLU A 15 14.810 -4.475 -8.409 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.529 -6.286 -8.881 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.335 -5.449 -7.909 1.00 0.69 H new ATOM 226 N VAL A 16 14.659 -1.293 -6.917 1.00 0.20 N ATOM 227 CA VAL A 16 15.226 -0.013 -6.875 1.00 0.21 C ATOM 228 C VAL A 16 16.543 -0.124 -6.167 1.00 0.22 C ATOM 229 O VAL A 16 16.841 -1.121 -5.525 1.00 0.27 O ATOM 230 CB VAL A 16 14.316 0.980 -6.133 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.877 0.875 -6.616 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.408 0.794 -4.622 1.00 0.23 C ATOM 0 H VAL A 16 14.692 -1.792 -6.028 1.00 0.20 H new ATOM 0 HA VAL A 16 15.356 0.363 -7.890 1.00 0.21 H new ATOM 0 HB VAL A 16 14.669 1.985 -6.362 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.258 1.589 -6.073 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.834 1.095 -7.683 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.506 -0.135 -6.439 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.753 1.511 -4.127 1.00 0.23 H new ATOM 0 HG22 VAL A 16 14.101 -0.219 -4.361 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.436 0.957 -4.297 1.00 0.23 H new ATOM 242 N THR A 17 17.314 0.882 -6.305 1.00 0.23 N ATOM 243 CA THR A 17 18.608 0.942 -5.669 1.00 0.27 C ATOM 244 C THR A 17 18.475 1.681 -4.348 1.00 0.28 C ATOM 245 O THR A 17 17.536 2.464 -4.159 1.00 0.28 O ATOM 246 CB THR A 17 19.622 1.682 -6.551 1.00 0.35 C ATOM 247 OG1 THR A 17 19.309 1.465 -7.934 1.00 0.77 O ATOM 248 CG2 THR A 17 21.046 1.220 -6.280 1.00 0.56 C ATOM 0 H THR A 17 17.082 1.704 -6.863 1.00 0.23 H new ATOM 0 HA THR A 17 18.963 -0.076 -5.508 1.00 0.27 H new ATOM 0 HB THR A 17 19.558 2.744 -6.312 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.957 1.940 -8.495 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.735 1.767 -6.924 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.297 1.409 -5.236 1.00 0.56 H new ATOM 0 HG23 THR A 17 21.128 0.153 -6.485 1.00 0.56 H new ATOM 256 N VAL A 18 19.400 1.430 -3.443 1.00 0.31 N ATOM 257 CA VAL A 18 19.433 2.134 -2.189 1.00 0.35 C ATOM 258 C VAL A 18 19.780 3.560 -2.453 1.00 0.36 C ATOM 259 O VAL A 18 20.895 3.916 -2.831 1.00 0.39 O ATOM 260 CB VAL A 18 20.453 1.605 -1.190 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.266 2.268 0.166 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.383 0.103 -1.065 1.00 0.78 C ATOM 0 H VAL A 18 20.140 0.738 -3.560 1.00 0.31 H new ATOM 0 HA VAL A 18 18.445 2.000 -1.748 1.00 0.35 H new ATOM 0 HB VAL A 18 21.445 1.856 -1.566 1.00 0.44 H new ATOM 0 HG11 VAL A 18 21.004 1.877 0.867 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.396 3.345 0.065 1.00 0.76 H new ATOM 0 HG13 VAL A 18 19.264 2.057 0.539 1.00 0.76 H new ATOM 0 HG21 VAL A 18 21.126 -0.237 -0.343 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.389 -0.188 -0.727 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.584 -0.353 -2.035 1.00 0.78 H new ATOM 272 N GLY A 19 18.782 4.324 -2.294 1.00 0.38 N ATOM 273 CA GLY A 19 18.894 5.754 -2.394 1.00 0.45 C ATOM 274 C GLY A 19 18.010 6.356 -3.463 1.00 0.40 C ATOM 275 O GLY A 19 18.067 7.568 -3.689 1.00 0.48 O ATOM 0 H GLY A 19 17.840 3.991 -2.087 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.640 6.198 -1.432 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.932 6.015 -2.602 1.00 0.45 H new ATOM 279 N GLY A 20 17.185 5.550 -4.137 1.00 0.32 N ATOM 280 CA GLY A 20 16.309 6.111 -5.103 1.00 0.32 C ATOM 281 C GLY A 20 14.973 6.352 -4.522 1.00 0.30 C ATOM 282 O GLY A 20 14.805 7.047 -3.528 1.00 0.44 O ATOM 0 H GLY A 20 17.123 4.539 -4.020 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.723 7.048 -5.475 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.223 5.439 -5.957 1.00 0.32 H new ATOM 286 N SER A 21 14.038 5.784 -5.176 1.00 0.24 N ATOM 287 CA SER A 21 12.684 5.855 -4.806 1.00 0.22 C ATOM 288 C SER A 21 11.926 4.641 -5.272 1.00 0.22 C ATOM 289 O SER A 21 12.389 3.869 -6.108 1.00 0.25 O ATOM 290 CB SER A 21 12.082 7.091 -5.397 1.00 0.30 C ATOM 291 OG SER A 21 12.459 7.254 -6.758 1.00 0.82 O ATOM 0 H SER A 21 14.203 5.234 -6.019 1.00 0.24 H new ATOM 0 HA SER A 21 12.619 5.890 -3.718 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.996 7.039 -5.323 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.400 7.962 -4.823 1.00 0.30 H new ATOM 0 HG SER A 21 12.049 8.069 -7.116 1.00 0.82 H new ATOM 297 N ILE A 22 10.761 4.522 -4.726 1.00 0.22 N ATOM 298 CA ILE A 22 9.783 3.585 -5.127 1.00 0.24 C ATOM 299 C ILE A 22 8.427 4.199 -4.896 1.00 0.25 C ATOM 300 O ILE A 22 8.218 5.050 -4.032 1.00 0.27 O ATOM 301 CB ILE A 22 9.897 2.252 -4.397 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.967 1.222 -5.016 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.620 2.396 -2.908 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.276 0.905 -6.464 1.00 0.32 C ATOM 0 H ILE A 22 10.457 5.109 -3.949 1.00 0.22 H new ATOM 0 HA ILE A 22 9.936 3.359 -6.182 1.00 0.24 H new ATOM 0 HB ILE A 22 10.925 1.907 -4.506 1.00 0.25 H new ATOM 0 HG12 ILE A 22 9.021 0.302 -4.434 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.941 1.584 -4.945 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.712 1.423 -2.425 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.339 3.088 -2.469 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.611 2.780 -2.761 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.569 0.162 -6.833 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.193 1.813 -7.061 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.289 0.511 -6.542 1.00 0.32 H new ATOM 316 N THR A 23 7.552 3.812 -5.719 1.00 0.25 N ATOM 317 CA THR A 23 6.196 4.332 -5.699 1.00 0.23 C ATOM 318 C THR A 23 5.201 3.245 -6.010 1.00 0.24 C ATOM 319 O THR A 23 5.313 2.547 -7.017 1.00 0.28 O ATOM 320 CB THR A 23 5.983 5.493 -6.680 1.00 0.26 C ATOM 321 OG1 THR A 23 7.049 6.444 -6.543 1.00 0.31 O ATOM 322 CG2 THR A 23 4.643 6.189 -6.422 1.00 0.24 C ATOM 0 H THR A 23 7.725 3.119 -6.447 1.00 0.25 H new ATOM 0 HA THR A 23 6.038 4.712 -4.690 1.00 0.23 H new ATOM 0 HB THR A 23 5.975 5.089 -7.692 1.00 0.26 H new ATOM 0 HG1 THR A 23 6.911 7.183 -7.172 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.516 7.008 -7.130 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.831 5.473 -6.546 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.627 6.583 -5.406 1.00 0.24 H new ATOM 330 N PHE A 24 4.242 3.111 -5.139 1.00 0.24 N ATOM 331 CA PHE A 24 3.133 2.216 -5.363 1.00 0.27 C ATOM 332 C PHE A 24 1.845 2.904 -4.973 1.00 0.24 C ATOM 333 O PHE A 24 1.817 3.718 -4.062 1.00 0.30 O ATOM 334 CB PHE A 24 3.265 0.898 -4.594 1.00 0.40 C ATOM 335 CG PHE A 24 4.584 0.658 -3.904 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.995 1.493 -2.880 1.00 0.43 C ATOM 337 CD2 PHE A 24 5.423 -0.375 -4.289 1.00 0.46 C ATOM 338 CE1 PHE A 24 6.204 1.304 -2.250 1.00 0.51 C ATOM 339 CE2 PHE A 24 6.636 -0.569 -3.662 1.00 0.53 C ATOM 340 CZ PHE A 24 6.997 0.159 -2.627 1.00 0.49 C ATOM 0 H PHE A 24 4.203 3.616 -4.254 1.00 0.24 H new ATOM 0 HA PHE A 24 3.130 1.967 -6.424 1.00 0.27 H new ATOM 0 HB2 PHE A 24 2.474 0.858 -3.845 1.00 0.40 H new ATOM 0 HB3 PHE A 24 3.088 0.077 -5.289 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.356 2.307 -2.570 1.00 0.43 H new ATOM 0 HD2 PHE A 24 5.124 -1.036 -5.089 1.00 0.46 H new ATOM 0 HE1 PHE A 24 6.550 1.994 -1.494 1.00 0.51 H new ATOM 0 HE2 PHE A 24 7.304 -1.335 -4.028 1.00 0.53 H new ATOM 0 HZ PHE A 24 7.881 -0.099 -2.063 1.00 0.49 H new ATOM 350 N SER A 25 0.797 2.580 -5.682 1.00 0.28 N ATOM 351 CA SER A 25 -0.497 3.169 -5.478 1.00 0.28 C ATOM 352 C SER A 25 -1.555 2.075 -5.410 1.00 0.27 C ATOM 353 O SER A 25 -1.669 1.233 -6.298 1.00 0.31 O ATOM 354 CB SER A 25 -0.827 4.118 -6.612 1.00 0.35 C ATOM 355 OG SER A 25 0.351 4.661 -7.191 1.00 0.58 O ATOM 0 H SER A 25 0.820 1.887 -6.430 1.00 0.28 H new ATOM 0 HA SER A 25 -0.484 3.725 -4.541 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.400 3.591 -7.375 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.458 4.926 -6.241 1.00 0.35 H new ATOM 0 HG SER A 25 0.107 5.268 -7.921 1.00 0.58 H new ATOM 361 N ALA A 26 -2.301 2.109 -4.349 1.00 0.26 N ATOM 362 CA ALA A 26 -3.352 1.136 -4.083 1.00 0.26 C ATOM 363 C ALA A 26 -4.720 1.813 -4.054 1.00 0.22 C ATOM 364 O ALA A 26 -4.975 2.668 -3.207 1.00 0.25 O ATOM 365 CB ALA A 26 -3.076 0.428 -2.763 1.00 0.32 C ATOM 0 H ALA A 26 -2.207 2.819 -3.623 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.360 0.398 -4.885 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.865 -0.299 -2.568 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.116 -0.085 -2.819 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -3.050 1.160 -1.956 1.00 0.32 H new ATOM 371 N ARG A 27 -5.598 1.454 -4.982 1.00 0.22 N ATOM 372 CA ARG A 27 -6.900 2.093 -5.062 1.00 0.25 C ATOM 373 C ARG A 27 -7.970 1.196 -4.463 1.00 0.23 C ATOM 374 O ARG A 27 -8.065 0.017 -4.810 1.00 0.31 O ATOM 375 CB ARG A 27 -7.233 2.420 -6.513 1.00 0.36 C ATOM 376 CG ARG A 27 -6.173 3.265 -7.196 1.00 0.28 C ATOM 377 CD ARG A 27 -6.581 3.633 -8.605 1.00 0.46 C ATOM 378 NE ARG A 27 -7.648 4.632 -8.607 1.00 1.22 N ATOM 379 CZ ARG A 27 -7.489 5.889 -9.027 1.00 1.55 C ATOM 380 NH1 ARG A 27 -6.328 6.284 -9.538 1.00 1.46 N ATOM 381 NH2 ARG A 27 -8.495 6.749 -8.933 1.00 2.43 N ATOM 0 H ARG A 27 -5.433 0.731 -5.682 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.870 3.021 -4.490 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.360 1.490 -7.068 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.187 2.946 -6.550 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.001 4.172 -6.617 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.230 2.719 -7.220 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -5.717 4.020 -9.146 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -6.915 2.740 -9.134 1.00 0.46 H new ATOM 0 HE ARG A 27 -8.568 4.352 -8.267 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -5.552 5.625 -9.611 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -6.212 7.246 -9.857 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -9.387 6.449 -8.540 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -8.376 7.710 -9.253 1.00 2.43 H new ATOM 395 N VAL A 28 -8.780 1.763 -3.579 1.00 0.19 N ATOM 396 CA VAL A 28 -9.796 1.018 -2.882 1.00 0.20 C ATOM 397 C VAL A 28 -11.128 1.707 -3.029 1.00 0.23 C ATOM 398 O VAL A 28 -11.268 2.903 -2.784 1.00 0.24 O ATOM 399 CB VAL A 28 -9.494 0.867 -1.387 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.431 -0.162 -0.762 1.00 0.26 C ATOM 401 CG2 VAL A 28 -8.037 0.497 -1.183 1.00 0.23 C ATOM 0 H VAL A 28 -8.744 2.752 -3.332 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.817 0.024 -3.329 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.667 1.819 -0.886 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.207 -0.261 0.300 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.464 0.164 -0.886 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.293 -1.125 -1.253 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.834 0.392 -0.117 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.827 -0.447 -1.687 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.401 1.279 -1.598 1.00 0.23 H new ATOM 411 N ALA A 29 -12.072 0.930 -3.458 1.00 0.29 N ATOM 412 CA ALA A 29 -13.436 1.353 -3.630 1.00 0.32 C ATOM 413 C ALA A 29 -14.027 1.867 -2.332 1.00 0.34 C ATOM 414 O ALA A 29 -14.168 1.132 -1.358 1.00 0.40 O ATOM 415 CB ALA A 29 -14.266 0.202 -4.164 1.00 0.38 C ATOM 0 H ALA A 29 -11.915 -0.047 -3.707 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.449 2.174 -4.347 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.298 0.527 -4.293 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.865 -0.121 -5.125 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.232 -0.629 -3.459 1.00 0.38 H new ATOM 421 N GLY A 30 -14.333 3.147 -2.341 1.00 0.35 N ATOM 422 CA GLY A 30 -15.128 3.747 -1.287 1.00 0.42 C ATOM 423 C GLY A 30 -16.423 2.992 -1.111 1.00 0.50 C ATOM 424 O GLY A 30 -16.923 2.845 -0.008 1.00 0.76 O ATOM 0 H GLY A 30 -14.042 3.797 -3.071 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.567 3.743 -0.352 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.337 4.789 -1.529 1.00 0.42 H new ATOM 428 N ALA A 31 -16.969 2.560 -2.246 1.00 0.49 N ATOM 429 CA ALA A 31 -18.025 1.557 -2.304 1.00 0.55 C ATOM 430 C ALA A 31 -19.302 1.913 -1.546 1.00 0.64 C ATOM 431 O ALA A 31 -19.487 3.034 -1.062 1.00 0.71 O ATOM 432 CB ALA A 31 -17.463 0.271 -1.758 1.00 0.58 C ATOM 0 H ALA A 31 -16.685 2.903 -3.163 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.329 1.479 -3.348 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.230 -0.503 -1.787 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -16.611 -0.040 -2.363 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.140 0.423 -0.728 1.00 0.58 H new ATOM 438 N SER A 32 -20.206 0.941 -1.519 1.00 0.85 N ATOM 439 CA SER A 32 -21.350 0.943 -0.630 1.00 0.96 C ATOM 440 C SER A 32 -21.059 -0.024 0.510 1.00 1.01 C ATOM 441 O SER A 32 -20.925 -1.234 0.301 1.00 1.69 O ATOM 442 CB SER A 32 -22.609 0.540 -1.403 1.00 1.19 C ATOM 443 OG SER A 32 -22.295 -0.395 -2.426 1.00 1.74 O ATOM 0 H SER A 32 -20.160 0.121 -2.124 1.00 0.85 H new ATOM 0 HA SER A 32 -21.525 1.938 -0.221 1.00 0.96 H new ATOM 0 HB2 SER A 32 -23.338 0.106 -0.719 1.00 1.19 H new ATOM 0 HB3 SER A 32 -23.071 1.425 -1.842 1.00 1.19 H new ATOM 0 HG SER A 32 -23.113 -0.641 -2.907 1.00 1.74 H new ATOM 449 N LEU A 33 -20.929 0.512 1.706 1.00 0.96 N ATOM 450 CA LEU A 33 -20.372 -0.231 2.801 1.00 0.93 C ATOM 451 C LEU A 33 -20.925 0.236 4.141 1.00 0.90 C ATOM 452 O LEU A 33 -21.551 1.293 4.228 1.00 0.98 O ATOM 453 CB LEU A 33 -18.842 -0.124 2.751 1.00 0.99 C ATOM 454 CG LEU A 33 -18.168 1.213 3.140 1.00 1.26 C ATOM 455 CD1 LEU A 33 -16.781 1.265 2.547 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.951 2.441 2.703 1.00 1.95 C ATOM 0 H LEU A 33 -21.205 1.466 1.938 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.660 -1.278 2.702 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.437 -0.898 3.403 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.529 -0.367 1.736 1.00 0.99 H new ATOM 0 HG LEU A 33 -18.131 1.239 4.229 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -16.304 2.206 2.820 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -16.190 0.434 2.931 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -16.846 1.193 1.461 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -18.418 3.341 3.010 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -19.060 2.436 1.618 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -19.937 2.428 3.167 1.00 1.95 H new ATOM 468 N LEU A 34 -20.702 -0.566 5.170 1.00 0.87 N ATOM 469 CA LEU A 34 -21.152 -0.228 6.511 1.00 0.89 C ATOM 470 C LEU A 34 -20.239 0.835 7.097 1.00 0.84 C ATOM 471 O LEU A 34 -20.637 1.985 7.278 1.00 0.95 O ATOM 472 CB LEU A 34 -21.165 -1.469 7.399 1.00 1.01 C ATOM 473 CG LEU A 34 -21.819 -1.249 8.759 1.00 1.22 C ATOM 474 CD1 LEU A 34 -23.332 -1.140 8.622 1.00 1.45 C ATOM 475 CD2 LEU A 34 -21.432 -2.356 9.734 1.00 1.47 C ATOM 0 H LEU A 34 -20.211 -1.457 5.102 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.169 0.162 6.460 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -21.691 -2.270 6.879 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -20.140 -1.806 7.550 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.452 -0.306 9.163 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.776 -0.983 9.605 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.579 -0.299 7.974 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -23.725 -2.060 8.189 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -21.911 -2.177 10.697 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -21.758 -3.318 9.340 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -20.350 -2.365 9.863 1.00 1.47 H new ATOM 487 N LYS A 35 -19.011 0.441 7.384 1.00 0.76 N ATOM 488 CA LYS A 35 -17.981 1.385 7.759 1.00 0.76 C ATOM 489 C LYS A 35 -16.968 1.491 6.626 1.00 0.65 C ATOM 490 O LYS A 35 -16.814 0.541 5.853 1.00 0.75 O ATOM 491 CB LYS A 35 -17.308 0.989 9.090 1.00 0.90 C ATOM 492 CG LYS A 35 -16.957 -0.497 9.253 1.00 0.92 C ATOM 493 CD LYS A 35 -15.867 -0.957 8.291 1.00 0.90 C ATOM 494 CE LYS A 35 -15.043 -2.110 8.856 1.00 1.00 C ATOM 495 NZ LYS A 35 -15.882 -3.248 9.316 1.00 1.40 N ATOM 0 H LYS A 35 -18.705 -0.532 7.363 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.434 2.363 7.922 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.393 1.572 9.199 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -17.969 1.277 9.908 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -16.631 -0.678 10.277 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.853 -1.097 9.093 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -16.323 -1.266 7.350 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -15.208 -0.119 8.065 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -14.349 -2.462 8.093 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.443 -1.747 9.690 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -15.273 -4.064 9.530 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -16.404 -2.971 10.172 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -16.557 -3.507 8.568 1.00 1.40 H new ATOM 509 N PRO A 36 -16.309 2.653 6.478 1.00 0.65 N ATOM 510 CA PRO A 36 -15.282 2.859 5.455 1.00 0.56 C ATOM 511 C PRO A 36 -14.252 1.732 5.448 1.00 0.45 C ATOM 512 O PRO A 36 -14.002 1.106 6.486 1.00 0.47 O ATOM 513 CB PRO A 36 -14.640 4.186 5.864 1.00 0.61 C ATOM 514 CG PRO A 36 -15.728 4.916 6.563 1.00 0.88 C ATOM 515 CD PRO A 36 -16.521 3.863 7.291 1.00 0.88 C ATOM 0 HA PRO A 36 -15.694 2.871 4.446 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.782 4.029 6.518 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.282 4.740 4.996 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -15.323 5.652 7.258 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.354 5.458 5.854 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.166 3.728 8.313 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.577 4.126 7.352 1.00 0.88 H new ATOM 523 N PRO A 37 -13.629 1.466 4.292 1.00 0.40 N ATOM 524 CA PRO A 37 -12.725 0.340 4.153 1.00 0.35 C ATOM 525 C PRO A 37 -11.495 0.508 5.012 1.00 0.32 C ATOM 526 O PRO A 37 -10.876 1.575 5.050 1.00 0.36 O ATOM 527 CB PRO A 37 -12.330 0.318 2.680 1.00 0.40 C ATOM 528 CG PRO A 37 -13.121 1.396 1.999 1.00 0.53 C ATOM 529 CD PRO A 37 -13.714 2.272 3.064 1.00 0.47 C ATOM 0 HA PRO A 37 -13.203 -0.586 4.472 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.260 0.493 2.565 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.543 -0.655 2.238 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.481 1.979 1.337 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.906 0.961 1.381 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.161 3.206 3.163 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -14.746 2.535 2.832 1.00 0.47 H new ATOM 537 N VAL A 38 -11.149 -0.554 5.697 1.00 0.29 N ATOM 538 CA VAL A 38 -9.973 -0.566 6.503 1.00 0.27 C ATOM 539 C VAL A 38 -8.921 -1.249 5.703 1.00 0.22 C ATOM 540 O VAL A 38 -8.910 -2.466 5.533 1.00 0.20 O ATOM 541 CB VAL A 38 -10.115 -1.331 7.814 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.086 -0.848 8.829 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.525 -1.241 8.365 1.00 0.77 C ATOM 0 H VAL A 38 -11.678 -1.426 5.706 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.744 0.467 6.767 1.00 0.27 H new ATOM 0 HB VAL A 38 -9.921 -2.384 7.611 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.202 -1.405 9.759 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.083 -1.007 8.434 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.236 0.214 9.022 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.587 -1.798 9.300 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.778 -0.197 8.548 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.225 -1.663 7.644 1.00 0.77 H new ATOM 553 N VAL A 39 -8.074 -0.450 5.208 1.00 0.22 N ATOM 554 CA VAL A 39 -6.972 -0.902 4.445 1.00 0.21 C ATOM 555 C VAL A 39 -5.746 -0.683 5.270 1.00 0.20 C ATOM 556 O VAL A 39 -5.382 0.445 5.606 1.00 0.23 O ATOM 557 CB VAL A 39 -6.794 -0.137 3.132 1.00 0.24 C ATOM 558 CG1 VAL A 39 -6.006 -0.966 2.131 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.131 0.309 2.564 1.00 0.24 C ATOM 0 H VAL A 39 -8.119 0.563 5.318 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.143 -1.948 4.192 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.220 0.766 3.341 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.890 -0.404 1.204 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -5.023 -1.194 2.542 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.539 -1.895 1.928 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.968 0.849 1.631 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.755 -0.564 2.373 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.631 0.962 3.279 1.00 0.24 H new ATOM 569 N LYS A 40 -5.154 -1.758 5.615 1.00 0.19 N ATOM 570 CA LYS A 40 -3.932 -1.752 6.340 1.00 0.20 C ATOM 571 C LYS A 40 -2.802 -2.109 5.446 1.00 0.19 C ATOM 572 O LYS A 40 -2.777 -3.136 4.772 1.00 0.21 O ATOM 573 CB LYS A 40 -3.981 -2.676 7.547 1.00 0.26 C ATOM 574 CG LYS A 40 -4.593 -4.042 7.265 1.00 0.31 C ATOM 575 CD LYS A 40 -3.544 -5.097 6.911 1.00 0.37 C ATOM 576 CE LYS A 40 -2.948 -5.733 8.154 1.00 0.86 C ATOM 577 NZ LYS A 40 -2.299 -7.035 7.847 1.00 1.54 N ATOM 0 H LYS A 40 -5.507 -2.691 5.400 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.777 -0.742 6.718 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -2.968 -2.815 7.925 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.552 -2.191 8.338 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -5.153 -4.372 8.140 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.305 -3.954 6.445 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.999 -5.868 6.289 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.751 -4.638 6.321 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -2.216 -5.056 8.594 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -3.731 -5.883 8.897 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -2.477 -7.703 8.624 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -2.691 -7.419 6.963 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -1.274 -6.895 7.739 1.00 1.54 H new ATOM 591 N TRP A 41 -1.908 -1.197 5.418 1.00 0.18 N ATOM 592 CA TRP A 41 -0.680 -1.366 4.718 1.00 0.19 C ATOM 593 C TRP A 41 0.345 -2.042 5.587 1.00 0.21 C ATOM 594 O TRP A 41 0.344 -1.922 6.814 1.00 0.28 O ATOM 595 CB TRP A 41 -0.147 -0.028 4.279 1.00 0.21 C ATOM 596 CG TRP A 41 -0.934 0.590 3.184 1.00 0.21 C ATOM 597 CD1 TRP A 41 -2.087 1.304 3.301 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.625 0.533 1.794 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.471 1.760 2.058 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.602 1.276 1.119 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.396 -0.063 1.054 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.586 1.436 -0.262 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.400 0.091 -0.315 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.586 0.837 -0.956 1.00 0.33 C ATOM 0 H TRP A 41 -2.003 -0.295 5.886 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.874 -1.991 3.846 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.135 0.648 5.134 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.886 -0.146 3.952 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.618 1.485 4.224 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.273 2.361 1.869 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.169 -0.635 1.545 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.344 2.018 -0.765 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.180 -0.374 -0.900 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.554 0.941 -2.030 1.00 0.33 H new ATOM 615 N PHE A 42 1.220 -2.723 4.921 1.00 0.21 N ATOM 616 CA PHE A 42 2.368 -3.330 5.528 1.00 0.23 C ATOM 617 C PHE A 42 3.484 -3.034 4.581 1.00 0.26 C ATOM 618 O PHE A 42 3.309 -3.125 3.369 1.00 0.34 O ATOM 619 CB PHE A 42 2.186 -4.840 5.708 1.00 0.26 C ATOM 620 CG PHE A 42 3.185 -5.477 6.635 1.00 0.30 C ATOM 621 CD1 PHE A 42 3.004 -5.429 8.009 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.311 -6.113 6.134 1.00 0.37 C ATOM 623 CE1 PHE A 42 3.925 -6.006 8.864 1.00 0.62 C ATOM 624 CE2 PHE A 42 5.235 -6.688 6.983 1.00 0.50 C ATOM 625 CZ PHE A 42 5.020 -6.669 8.348 1.00 0.60 C ATOM 0 H PHE A 42 1.158 -2.879 3.915 1.00 0.21 H new ATOM 0 HA PHE A 42 2.552 -2.942 6.530 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.182 -5.031 6.088 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.254 -5.321 4.732 1.00 0.26 H new ATOM 0 HD1 PHE A 42 2.134 -4.935 8.416 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.467 -6.159 5.066 1.00 0.37 H new ATOM 0 HE1 PHE A 42 3.788 -5.938 9.933 1.00 0.62 H new ATOM 0 HE2 PHE A 42 6.124 -7.152 6.581 1.00 0.50 H new ATOM 0 HZ PHE A 42 5.708 -7.173 9.011 1.00 0.60 H new ATOM 635 N LYS A 43 4.588 -2.627 5.103 1.00 0.28 N ATOM 636 CA LYS A 43 5.652 -2.160 4.288 1.00 0.31 C ATOM 637 C LYS A 43 6.649 -3.306 4.220 1.00 0.39 C ATOM 638 O LYS A 43 6.422 -4.274 4.905 1.00 0.81 O ATOM 639 CB LYS A 43 6.258 -0.866 4.855 1.00 0.40 C ATOM 640 CG LYS A 43 7.412 -0.339 4.032 1.00 0.54 C ATOM 641 CD LYS A 43 8.019 0.917 4.599 1.00 0.67 C ATOM 642 CE LYS A 43 9.220 1.293 3.770 1.00 1.29 C ATOM 643 NZ LYS A 43 9.687 2.669 4.054 1.00 2.17 N ATOM 0 H LYS A 43 4.778 -2.609 6.105 1.00 0.28 H new ATOM 0 HA LYS A 43 5.317 -1.891 3.286 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.482 -0.103 4.911 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.600 -1.048 5.874 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.182 -1.108 3.963 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.066 -0.142 3.017 1.00 0.54 H new ATOM 0 HD2 LYS A 43 7.288 1.726 4.593 1.00 0.67 H new ATOM 0 HD3 LYS A 43 8.311 0.760 5.637 1.00 0.67 H new ATOM 0 HE2 LYS A 43 10.029 0.589 3.965 1.00 1.29 H new ATOM 0 HE3 LYS A 43 8.971 1.207 2.712 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 9.723 3.213 3.168 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 9.030 3.129 4.716 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 10.636 2.633 4.477 1.00 2.17 H new ATOM 657 N GLY A 44 7.683 -3.151 3.382 1.00 0.64 N ATOM 658 CA GLY A 44 8.873 -4.026 3.250 1.00 0.92 C ATOM 659 C GLY A 44 9.096 -5.154 4.261 1.00 0.39 C ATOM 660 O GLY A 44 8.193 -5.682 4.833 1.00 1.23 O ATOM 0 H GLY A 44 7.720 -2.364 2.734 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.837 -4.478 2.259 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.754 -3.385 3.276 1.00 0.92 H new ATOM 664 N LYS A 45 10.283 -5.716 4.220 1.00 0.85 N ATOM 665 CA LYS A 45 10.606 -7.016 4.825 1.00 1.06 C ATOM 666 C LYS A 45 9.954 -7.301 6.196 1.00 0.74 C ATOM 667 O LYS A 45 9.831 -8.470 6.576 1.00 0.82 O ATOM 668 CB LYS A 45 12.119 -7.037 5.038 1.00 1.67 C ATOM 669 CG LYS A 45 12.932 -7.444 3.837 1.00 2.44 C ATOM 670 CD LYS A 45 14.427 -7.367 4.128 1.00 2.82 C ATOM 671 CE LYS A 45 14.796 -8.041 5.445 1.00 2.98 C ATOM 672 NZ LYS A 45 14.566 -9.510 5.422 1.00 3.87 N ATOM 0 H LYS A 45 11.080 -5.281 3.756 1.00 0.85 H new ATOM 0 HA LYS A 45 10.221 -7.775 4.144 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.439 -6.044 5.353 1.00 1.67 H new ATOM 0 HB3 LYS A 45 12.345 -7.720 5.857 1.00 1.67 H new ATOM 0 HG2 LYS A 45 12.668 -8.460 3.544 1.00 2.44 H new ATOM 0 HG3 LYS A 45 12.689 -6.796 2.995 1.00 2.44 H new ATOM 0 HD2 LYS A 45 14.978 -7.839 3.314 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.736 -6.322 4.158 1.00 2.82 H new ATOM 0 HE2 LYS A 45 15.845 -7.845 5.667 1.00 2.98 H new ATOM 0 HE3 LYS A 45 14.211 -7.598 6.251 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 14.833 -9.918 6.341 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 13.561 -9.701 5.237 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 15.144 -9.940 4.672 1.00 3.87 H new ATOM 686 N TRP A 46 9.543 -6.277 6.939 1.00 0.58 N ATOM 687 CA TRP A 46 8.957 -6.503 8.251 1.00 0.57 C ATOM 688 C TRP A 46 8.139 -5.329 8.773 1.00 0.63 C ATOM 689 O TRP A 46 7.504 -5.429 9.825 1.00 0.74 O ATOM 690 CB TRP A 46 10.059 -6.756 9.255 1.00 0.76 C ATOM 691 CG TRP A 46 11.256 -5.855 9.105 1.00 0.97 C ATOM 692 CD1 TRP A 46 12.185 -5.889 8.106 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.661 -4.802 9.988 1.00 1.27 C ATOM 694 NE1 TRP A 46 13.118 -4.904 8.289 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.828 -4.228 9.445 1.00 1.42 C ATOM 696 CE3 TRP A 46 11.149 -4.283 11.183 1.00 1.66 C ATOM 697 CZ2 TRP A 46 13.486 -3.159 10.054 1.00 1.78 C ATOM 698 CZ3 TRP A 46 11.803 -3.225 11.783 1.00 2.10 C ATOM 699 CH2 TRP A 46 12.960 -2.674 11.218 1.00 2.11 C ATOM 0 H TRP A 46 9.604 -5.298 6.658 1.00 0.58 H new ATOM 0 HA TRP A 46 8.289 -7.356 8.133 1.00 0.57 H new ATOM 0 HB2 TRP A 46 9.653 -6.636 10.260 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.386 -7.792 9.164 1.00 0.76 H new ATOM 0 HD1 TRP A 46 12.184 -6.593 7.287 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.901 -4.706 7.666 1.00 1.38 H new ATOM 0 HE3 TRP A 46 10.259 -4.702 11.628 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 14.378 -2.731 9.621 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 11.415 -2.815 12.704 1.00 2.10 H new ATOM 0 HH2 TRP A 46 13.447 -1.847 11.713 1.00 2.11 H new ATOM 710 N VAL A 47 8.166 -4.233 8.064 1.00 0.63 N ATOM 711 CA VAL A 47 7.808 -3.002 8.584 1.00 0.74 C ATOM 712 C VAL A 47 6.364 -2.637 8.331 1.00 0.59 C ATOM 713 O VAL A 47 5.617 -3.261 7.583 1.00 0.57 O ATOM 714 CB VAL A 47 8.701 -1.911 8.022 1.00 0.90 C ATOM 715 CG1 VAL A 47 10.138 -2.048 8.449 1.00 1.20 C ATOM 716 CG2 VAL A 47 8.679 -1.858 6.540 1.00 1.29 C ATOM 0 H VAL A 47 8.450 -4.203 7.085 1.00 0.63 H new ATOM 0 HA VAL A 47 7.936 -3.085 9.663 1.00 0.74 H new ATOM 0 HB VAL A 47 8.284 -0.991 8.432 1.00 0.90 H new ATOM 0 HG11 VAL A 47 10.725 -1.239 8.015 1.00 1.20 H new ATOM 0 HG12 VAL A 47 10.201 -1.999 9.536 1.00 1.20 H new ATOM 0 HG13 VAL A 47 10.530 -3.005 8.106 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.336 -1.059 6.195 1.00 1.29 H new ATOM 0 HG22 VAL A 47 9.023 -2.810 6.137 1.00 1.29 H new ATOM 0 HG23 VAL A 47 7.662 -1.665 6.198 1.00 1.29 H new ATOM 726 N ASP A 48 6.050 -1.577 8.979 1.00 0.60 N ATOM 727 CA ASP A 48 4.805 -0.912 8.981 1.00 0.56 C ATOM 728 C ASP A 48 4.891 0.276 8.068 1.00 0.58 C ATOM 729 O ASP A 48 5.962 0.678 7.656 1.00 0.96 O ATOM 730 CB ASP A 48 4.527 -0.382 10.369 1.00 0.73 C ATOM 731 CG ASP A 48 5.767 0.133 11.057 1.00 1.88 C ATOM 732 OD1 ASP A 48 6.612 -0.694 11.434 1.00 2.73 O ATOM 733 OD2 ASP A 48 5.882 1.358 11.271 1.00 2.22 O ATOM 0 H ASP A 48 6.728 -1.109 9.580 1.00 0.60 H new ATOM 0 HA ASP A 48 4.026 -1.604 8.663 1.00 0.56 H new ATOM 0 HB2 ASP A 48 3.792 0.420 10.306 1.00 0.73 H new ATOM 0 HB3 ASP A 48 4.084 -1.174 10.973 1.00 0.73 H new ATOM 738 N LEU A 49 3.772 0.762 7.668 1.00 0.39 N ATOM 739 CA LEU A 49 3.701 2.107 7.158 1.00 0.35 C ATOM 740 C LEU A 49 3.197 3.070 8.201 1.00 0.41 C ATOM 741 O LEU A 49 3.677 4.182 8.279 1.00 0.44 O ATOM 742 CB LEU A 49 2.830 2.175 5.917 1.00 0.29 C ATOM 743 CG LEU A 49 3.491 1.664 4.655 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.153 0.222 4.368 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.073 2.497 3.494 1.00 0.28 C ATOM 0 H LEU A 49 2.885 0.258 7.679 1.00 0.39 H new ATOM 0 HA LEU A 49 4.715 2.402 6.888 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.922 1.599 6.095 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.526 3.210 5.759 1.00 0.29 H new ATOM 0 HG LEU A 49 4.568 1.731 4.811 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.653 -0.094 3.452 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.487 -0.402 5.197 1.00 0.36 H new ATOM 0 HD13 LEU A 49 2.075 0.118 4.247 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.552 2.125 2.588 1.00 0.28 H new ATOM 0 HD22 LEU A 49 1.990 2.445 3.380 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.371 3.532 3.663 1.00 0.28 H new ATOM 757 N SER A 50 2.333 2.599 9.068 1.00 0.48 N ATOM 758 CA SER A 50 1.529 3.458 9.903 1.00 0.58 C ATOM 759 C SER A 50 2.421 4.347 10.734 1.00 0.62 C ATOM 760 O SER A 50 2.022 5.430 11.164 1.00 0.70 O ATOM 761 CB SER A 50 0.632 2.606 10.803 1.00 0.73 C ATOM 762 OG SER A 50 -0.384 3.380 11.418 1.00 1.23 O ATOM 0 H SER A 50 2.167 1.603 9.215 1.00 0.48 H new ATOM 0 HA SER A 50 0.899 4.089 9.275 1.00 0.58 H new ATOM 0 HB2 SER A 50 0.176 1.810 10.213 1.00 0.73 H new ATOM 0 HB3 SER A 50 1.239 2.126 11.571 1.00 0.73 H new ATOM 0 HG SER A 50 -0.938 2.802 11.984 1.00 1.23 H new ATOM 768 N SER A 51 3.646 3.896 10.944 1.00 0.64 N ATOM 769 CA SER A 51 4.547 4.652 11.741 1.00 0.75 C ATOM 770 C SER A 51 5.566 5.425 10.913 1.00 0.72 C ATOM 771 O SER A 51 6.067 6.476 11.310 1.00 0.85 O ATOM 772 CB SER A 51 5.245 3.755 12.745 1.00 0.90 C ATOM 773 OG SER A 51 4.350 3.290 13.741 1.00 1.34 O ATOM 0 H SER A 51 4.019 3.022 10.573 1.00 0.64 H new ATOM 0 HA SER A 51 3.951 5.394 12.273 1.00 0.75 H new ATOM 0 HB2 SER A 51 5.688 2.904 12.227 1.00 0.90 H new ATOM 0 HB3 SER A 51 6.062 4.302 13.216 1.00 0.90 H new ATOM 0 HG SER A 51 4.832 2.714 14.370 1.00 1.34 H new ATOM 779 N LYS A 52 5.831 4.874 9.763 1.00 0.62 N ATOM 780 CA LYS A 52 6.922 5.252 8.895 1.00 0.66 C ATOM 781 C LYS A 52 6.534 6.313 7.897 1.00 0.67 C ATOM 782 O LYS A 52 7.361 7.052 7.361 1.00 1.09 O ATOM 783 CB LYS A 52 7.285 4.016 8.251 1.00 0.65 C ATOM 784 CG LYS A 52 7.620 3.060 9.335 1.00 0.70 C ATOM 785 CD LYS A 52 8.158 1.892 8.699 1.00 0.78 C ATOM 786 CE LYS A 52 9.165 1.126 9.534 1.00 1.02 C ATOM 787 NZ LYS A 52 8.705 0.915 10.939 1.00 1.40 N ATOM 0 H LYS A 52 5.269 4.113 9.383 1.00 0.62 H new ATOM 0 HA LYS A 52 7.747 5.703 9.446 1.00 0.66 H new ATOM 0 HB2 LYS A 52 6.463 3.640 7.642 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.135 4.161 7.585 1.00 0.65 H new ATOM 0 HG2 LYS A 52 8.344 3.494 10.024 1.00 0.70 H new ATOM 0 HG3 LYS A 52 6.734 2.810 9.919 1.00 0.70 H new ATOM 0 HD2 LYS A 52 7.336 1.224 8.441 1.00 0.78 H new ATOM 0 HD3 LYS A 52 8.632 2.190 7.764 1.00 0.78 H new ATOM 0 HE2 LYS A 52 9.356 0.159 9.069 1.00 1.02 H new ATOM 0 HE3 LYS A 52 10.111 1.668 9.543 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 9.525 0.924 11.578 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 8.049 1.676 11.207 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 8.220 -0.002 11.011 1.00 1.40 H new ATOM 801 N VAL A 53 5.258 6.267 7.620 1.00 0.34 N ATOM 802 CA VAL A 53 4.524 7.211 6.842 1.00 0.32 C ATOM 803 C VAL A 53 4.777 8.624 7.313 1.00 0.33 C ATOM 804 O VAL A 53 4.143 9.149 8.234 1.00 0.37 O ATOM 805 CB VAL A 53 3.047 6.821 6.919 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.103 7.908 6.443 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.825 5.587 6.097 1.00 0.35 C ATOM 0 H VAL A 53 4.667 5.509 7.961 1.00 0.34 H new ATOM 0 HA VAL A 53 4.849 7.190 5.802 1.00 0.32 H new ATOM 0 HB VAL A 53 2.822 6.649 7.972 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.074 7.559 6.527 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.235 8.799 7.057 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.320 8.149 5.402 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.774 5.301 6.146 1.00 0.35 H new ATOM 0 HG22 VAL A 53 3.099 5.786 5.061 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.440 4.775 6.486 1.00 0.35 H new ATOM 817 N GLY A 54 5.780 9.182 6.695 1.00 0.35 N ATOM 818 CA GLY A 54 6.171 10.548 6.963 1.00 0.41 C ATOM 819 C GLY A 54 6.971 11.175 5.837 1.00 0.44 C ATOM 820 O GLY A 54 6.406 11.618 4.843 1.00 0.70 O ATOM 0 H GLY A 54 6.351 8.710 5.994 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.277 11.146 7.141 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.762 10.577 7.879 1.00 0.41 H new ATOM 824 N GLN A 55 8.290 11.203 5.986 1.00 0.36 N ATOM 825 CA GLN A 55 9.158 11.919 5.051 1.00 0.43 C ATOM 826 C GLN A 55 9.537 11.065 3.843 1.00 0.39 C ATOM 827 O GLN A 55 9.379 11.485 2.699 1.00 0.50 O ATOM 828 CB GLN A 55 10.433 12.362 5.766 1.00 0.61 C ATOM 829 CG GLN A 55 11.413 13.085 4.859 1.00 1.43 C ATOM 830 CD GLN A 55 12.841 12.956 5.339 1.00 2.08 C ATOM 831 OE1 GLN A 55 13.210 11.952 5.952 1.00 2.75 O ATOM 832 NE2 GLN A 55 13.655 13.959 5.063 1.00 2.69 N ATOM 0 H GLN A 55 8.786 10.738 6.747 1.00 0.36 H new ATOM 0 HA GLN A 55 8.600 12.783 4.691 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.167 13.017 6.596 1.00 0.61 H new ATOM 0 HB3 GLN A 55 10.923 11.488 6.194 1.00 0.61 H new ATOM 0 HG2 GLN A 55 11.334 12.683 3.849 1.00 1.43 H new ATOM 0 HG3 GLN A 55 11.144 14.140 4.805 1.00 1.43 H new ATOM 0 HE21 GLN A 55 13.308 14.772 4.553 1.00 2.69 H new ATOM 0 HE22 GLN A 55 14.630 13.921 5.360 1.00 2.69 H new ATOM 841 N HIS A 56 10.064 9.878 4.105 1.00 0.36 N ATOM 842 CA HIS A 56 10.574 9.012 3.041 1.00 0.41 C ATOM 843 C HIS A 56 9.470 8.131 2.471 1.00 0.35 C ATOM 844 O HIS A 56 9.431 7.849 1.286 1.00 0.42 O ATOM 845 CB HIS A 56 11.726 8.155 3.572 1.00 0.54 C ATOM 846 CG HIS A 56 11.346 7.242 4.696 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.798 5.999 4.485 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.388 7.411 6.040 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.506 5.443 5.647 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.858 6.275 6.606 1.00 1.33 N ATOM 0 H HIS A 56 10.152 9.489 5.044 1.00 0.36 H new ATOM 0 HA HIS A 56 10.944 9.643 2.233 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.126 7.557 2.753 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.528 8.812 3.908 1.00 0.54 H new ATOM 0 HD2 HIS A 56 11.766 8.275 6.567 1.00 1.06 H new ATOM 0 HE1 HIS A 56 10.055 4.472 5.787 1.00 1.11 H new ATOM 0 HE2 HIS A 56 10.754 6.104 7.606 1.00 1.33 H new ATOM 859 N LEU A 57 8.589 7.708 3.344 1.00 0.28 N ATOM 860 CA LEU A 57 7.421 6.930 2.985 1.00 0.25 C ATOM 861 C LEU A 57 6.224 7.757 3.376 1.00 0.23 C ATOM 862 O LEU A 57 5.944 7.906 4.538 1.00 0.29 O ATOM 863 CB LEU A 57 7.455 5.586 3.774 1.00 0.38 C ATOM 864 CG LEU A 57 6.230 4.623 3.784 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.842 4.314 5.206 1.00 1.11 C ATOM 866 CD2 LEU A 57 5.019 5.132 3.011 1.00 1.10 C ATOM 0 H LEU A 57 8.662 7.897 4.344 1.00 0.28 H new ATOM 0 HA LEU A 57 7.386 6.695 1.921 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.304 5.017 3.396 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.674 5.833 4.813 1.00 0.38 H new ATOM 0 HG LEU A 57 6.551 3.721 3.264 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.985 3.640 5.211 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.680 3.839 5.717 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.580 5.238 5.721 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.214 4.399 3.071 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.683 6.076 3.441 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.292 5.286 1.967 1.00 1.10 H new ATOM 878 N GLN A 58 5.551 8.305 2.409 1.00 0.20 N ATOM 879 CA GLN A 58 4.262 8.853 2.624 1.00 0.21 C ATOM 880 C GLN A 58 3.261 7.863 2.092 1.00 0.18 C ATOM 881 O GLN A 58 3.224 7.570 0.900 1.00 0.19 O ATOM 882 CB GLN A 58 4.105 10.170 1.877 1.00 0.27 C ATOM 883 CG GLN A 58 5.239 11.153 2.081 1.00 0.46 C ATOM 884 CD GLN A 58 6.333 11.039 1.041 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.272 11.672 -0.012 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.347 10.255 1.331 1.00 0.28 N ATOM 0 H GLN A 58 5.888 8.381 1.449 1.00 0.20 H new ATOM 0 HA GLN A 58 4.111 9.044 3.686 1.00 0.21 H new ATOM 0 HB2 GLN A 58 4.013 9.959 0.812 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.173 10.641 2.191 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.838 12.166 2.065 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.671 10.997 3.070 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.362 9.746 2.215 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.119 10.155 0.672 1.00 0.28 H new ATOM 895 N LEU A 59 2.473 7.361 2.978 1.00 0.20 N ATOM 896 CA LEU A 59 1.337 6.553 2.627 1.00 0.20 C ATOM 897 C LEU A 59 0.176 7.524 2.597 1.00 0.21 C ATOM 898 O LEU A 59 -0.426 7.838 3.620 1.00 0.23 O ATOM 899 CB LEU A 59 1.135 5.421 3.668 1.00 0.23 C ATOM 900 CG LEU A 59 0.210 4.257 3.325 1.00 0.23 C ATOM 901 CD1 LEU A 59 -0.005 3.465 4.595 1.00 0.26 C ATOM 902 CD2 LEU A 59 -1.095 4.735 2.725 1.00 0.23 C ATOM 0 H LEU A 59 2.593 7.497 3.982 1.00 0.20 H new ATOM 0 HA LEU A 59 1.451 6.046 1.669 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.116 5.005 3.896 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.762 5.879 4.584 1.00 0.23 H new ATOM 0 HG LEU A 59 0.664 3.624 2.563 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.664 2.621 4.390 1.00 0.26 H new ATOM 0 HD12 LEU A 59 0.954 3.097 4.961 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.460 4.105 5.351 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.726 3.876 2.495 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.608 5.381 3.437 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.892 5.292 1.810 1.00 0.23 H new ATOM 914 N HIS A 60 -0.077 8.041 1.416 1.00 0.22 N ATOM 915 CA HIS A 60 -1.093 9.003 1.195 1.00 0.25 C ATOM 916 C HIS A 60 -2.380 8.325 0.920 1.00 0.24 C ATOM 917 O HIS A 60 -2.449 7.148 0.587 1.00 0.26 O ATOM 918 CB HIS A 60 -0.783 9.923 0.022 1.00 0.37 C ATOM 919 CG HIS A 60 0.231 10.985 0.299 1.00 0.79 C ATOM 920 ND1 HIS A 60 0.739 11.803 -0.688 1.00 1.48 N ATOM 921 CD2 HIS A 60 0.822 11.379 1.451 1.00 1.65 C ATOM 922 CE1 HIS A 60 1.597 12.651 -0.154 1.00 1.91 C ATOM 923 NE2 HIS A 60 1.664 12.414 1.141 1.00 2.03 N ATOM 0 H HIS A 60 0.439 7.788 0.573 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.151 9.606 2.101 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.432 9.316 -0.812 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.708 10.401 -0.299 1.00 0.37 H new ATOM 0 HD1 HIS A 60 0.490 11.759 -1.676 1.00 1.48 H new ATOM 0 HD2 HIS A 60 0.660 10.956 2.432 1.00 1.65 H new ATOM 0 HE1 HIS A 60 2.150 13.410 -0.687 1.00 1.91 H new ATOM 932 N ASP A 61 -3.368 9.106 1.066 1.00 0.29 N ATOM 933 CA ASP A 61 -4.704 8.730 0.820 1.00 0.32 C ATOM 934 C ASP A 61 -5.365 9.794 -0.008 1.00 0.35 C ATOM 935 O ASP A 61 -5.421 10.975 0.343 1.00 0.48 O ATOM 936 CB ASP A 61 -5.485 8.497 2.094 1.00 0.44 C ATOM 937 CG ASP A 61 -5.565 9.704 3.014 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.605 9.941 3.775 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.584 10.426 2.973 1.00 0.92 O ATOM 0 H ASP A 61 -3.269 10.073 1.375 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.694 7.782 0.283 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.497 8.187 1.833 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.029 7.670 2.639 1.00 0.44 H new ATOM 944 N SER A 62 -5.772 9.354 -1.141 1.00 0.29 N ATOM 945 CA SER A 62 -6.551 10.146 -2.059 1.00 0.32 C ATOM 946 C SER A 62 -7.990 9.733 -1.931 1.00 0.32 C ATOM 947 O SER A 62 -8.284 8.580 -1.614 1.00 0.41 O ATOM 948 CB SER A 62 -6.082 9.957 -3.495 1.00 0.40 C ATOM 949 OG SER A 62 -4.675 9.771 -3.551 1.00 0.47 O ATOM 0 H SER A 62 -5.575 8.411 -1.477 1.00 0.29 H new ATOM 0 HA SER A 62 -6.430 11.201 -1.813 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.584 9.095 -3.935 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.361 10.827 -4.090 1.00 0.40 H new ATOM 0 HG SER A 62 -4.451 8.872 -3.231 1.00 0.47 H new ATOM 955 N TYR A 63 -8.874 10.657 -2.163 1.00 0.38 N ATOM 956 CA TYR A 63 -10.271 10.421 -1.951 1.00 0.45 C ATOM 957 C TYR A 63 -11.092 11.080 -3.025 1.00 0.47 C ATOM 958 O TYR A 63 -11.377 12.279 -2.992 1.00 0.54 O ATOM 959 CB TYR A 63 -10.649 10.884 -0.550 1.00 0.64 C ATOM 960 CG TYR A 63 -12.114 11.190 -0.300 1.00 0.63 C ATOM 961 CD1 TYR A 63 -13.060 10.169 -0.281 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.556 12.492 -0.119 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.398 10.438 -0.083 1.00 1.05 C ATOM 964 CE2 TYR A 63 -13.895 12.770 0.075 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.784 11.766 0.220 1.00 1.07 C ATOM 966 OH TYR A 63 -16.150 12.007 0.280 1.00 1.39 O ATOM 0 H TYR A 63 -8.649 11.592 -2.503 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.484 9.354 -2.019 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.338 10.115 0.157 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.072 11.780 -0.321 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.740 9.147 -0.424 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -11.842 13.302 -0.130 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -15.135 9.653 -0.157 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.232 13.796 0.111 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.307 12.950 0.496 1.00 1.39 H new ATOM 976 N ASP A 64 -11.436 10.274 -3.996 1.00 0.47 N ATOM 977 CA ASP A 64 -12.330 10.668 -5.029 1.00 0.57 C ATOM 978 C ASP A 64 -13.608 9.878 -4.946 1.00 0.57 C ATOM 979 O ASP A 64 -13.687 8.722 -5.345 1.00 0.63 O ATOM 980 CB ASP A 64 -11.686 10.536 -6.388 1.00 0.71 C ATOM 981 CG ASP A 64 -10.731 9.366 -6.537 1.00 1.53 C ATOM 982 OD1 ASP A 64 -9.577 9.472 -6.067 1.00 2.42 O ATOM 983 OD2 ASP A 64 -11.108 8.365 -7.177 1.00 2.00 O ATOM 0 H ASP A 64 -11.094 9.317 -4.084 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.574 11.721 -4.889 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -12.472 10.441 -7.138 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -11.145 11.457 -6.608 1.00 0.71 H new ATOM 988 N ARG A 65 -14.606 10.526 -4.404 1.00 0.60 N ATOM 989 CA ARG A 65 -15.890 9.907 -4.168 1.00 0.64 C ATOM 990 C ARG A 65 -16.703 9.845 -5.443 1.00 0.74 C ATOM 991 O ARG A 65 -17.500 8.931 -5.643 1.00 0.88 O ATOM 992 CB ARG A 65 -16.646 10.660 -3.086 1.00 0.74 C ATOM 993 CG ARG A 65 -17.106 9.732 -1.999 1.00 0.86 C ATOM 994 CD ARG A 65 -18.017 8.663 -2.570 1.00 1.00 C ATOM 995 NE ARG A 65 -19.430 8.994 -2.409 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.339 8.904 -3.381 1.00 1.80 C ATOM 997 NH1 ARG A 65 -19.973 8.606 -4.620 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.616 9.148 -3.120 1.00 2.07 N ATOM 0 H ARG A 65 -14.554 11.502 -4.112 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.721 8.885 -3.828 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.005 11.432 -2.661 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.506 11.165 -3.525 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -16.244 9.267 -1.520 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -17.633 10.296 -1.229 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -17.796 8.529 -3.629 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -17.811 7.712 -2.078 1.00 1.00 H new ATOM 0 HE ARG A 65 -19.743 9.315 -1.493 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -18.990 8.443 -4.836 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.675 8.539 -5.357 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -21.904 9.405 -2.176 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.311 9.079 -3.864 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.465 10.808 -6.306 1.00 0.80 N ATOM 1013 CA ALA A 66 -17.077 10.847 -7.625 1.00 0.93 C ATOM 1014 C ALA A 66 -16.639 9.638 -8.433 1.00 0.83 C ATOM 1015 O ALA A 66 -17.296 9.237 -9.391 1.00 0.92 O ATOM 1016 CB ALA A 66 -16.702 12.130 -8.350 1.00 1.15 C ATOM 0 H ALA A 66 -15.840 11.591 -6.116 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.161 10.823 -7.509 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -17.169 12.141 -9.335 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -17.049 12.988 -7.774 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -15.619 12.182 -8.461 1.00 1.15 H new ATOM 1022 N SER A 67 -15.521 9.061 -8.022 1.00 0.72 N ATOM 1023 CA SER A 67 -14.980 7.878 -8.656 1.00 0.72 C ATOM 1024 C SER A 67 -15.109 6.705 -7.707 1.00 0.58 C ATOM 1025 O SER A 67 -14.930 5.551 -8.100 1.00 0.63 O ATOM 1026 CB SER A 67 -13.522 8.109 -9.046 1.00 0.83 C ATOM 1027 OG SER A 67 -13.400 9.281 -9.834 1.00 1.41 O ATOM 0 H SER A 67 -14.965 9.403 -7.238 1.00 0.72 H new ATOM 0 HA SER A 67 -15.538 7.660 -9.567 1.00 0.72 H new ATOM 0 HB2 SER A 67 -12.909 8.201 -8.149 1.00 0.83 H new ATOM 0 HB3 SER A 67 -13.147 7.249 -9.601 1.00 0.83 H new ATOM 0 HG SER A 67 -12.460 9.417 -10.075 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.435 7.021 -6.446 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.687 6.009 -5.435 1.00 0.50 C ATOM 1035 C LYS A 68 -14.392 5.261 -5.127 1.00 0.44 C ATOM 1036 O LYS A 68 -14.400 4.084 -4.792 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.772 5.065 -5.959 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.306 4.048 -4.967 1.00 0.66 C ATOM 1039 CD LYS A 68 -18.418 4.598 -4.075 1.00 1.38 C ATOM 1040 CE LYS A 68 -17.878 5.390 -2.893 1.00 2.27 C ATOM 1041 NZ LYS A 68 -18.915 5.608 -1.846 1.00 3.31 N ATOM 0 H LYS A 68 -15.528 7.979 -6.109 1.00 0.50 H new ATOM 0 HA LYS A 68 -16.034 6.464 -4.507 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.607 5.667 -6.317 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -16.374 4.528 -6.820 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -17.682 3.182 -5.512 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -16.486 3.698 -4.339 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -19.073 5.237 -4.668 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -19.027 3.772 -3.707 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -17.030 4.860 -2.459 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.507 6.354 -3.242 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -18.472 6.014 -0.998 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -19.639 6.262 -2.205 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -19.359 4.700 -1.603 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.275 5.968 -5.221 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.986 5.376 -4.981 1.00 0.31 C ATOM 1057 C VAL A 69 -11.216 6.184 -3.962 1.00 0.29 C ATOM 1058 O VAL A 69 -11.204 7.414 -3.981 1.00 0.35 O ATOM 1059 CB VAL A 69 -11.116 5.296 -6.250 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.976 4.315 -6.058 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.936 4.934 -7.477 1.00 0.43 C ATOM 0 H VAL A 69 -13.246 6.958 -5.464 1.00 0.34 H new ATOM 0 HA VAL A 69 -12.187 4.366 -4.624 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.697 6.288 -6.420 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.374 4.274 -6.966 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.353 4.640 -5.224 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -10.380 3.325 -5.845 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -11.284 4.888 -8.350 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.408 3.963 -7.326 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.704 5.690 -7.637 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.618 5.472 -3.054 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.608 6.016 -2.198 1.00 0.25 C ATOM 1073 C TYR A 70 -8.285 5.448 -2.650 1.00 0.22 C ATOM 1074 O TYR A 70 -8.036 4.248 -2.548 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.812 5.651 -0.734 1.00 0.31 C ATOM 1076 CG TYR A 70 -11.217 5.839 -0.204 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -12.098 6.732 -0.794 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -11.655 5.117 0.895 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.375 6.900 -0.305 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -12.930 5.282 1.393 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.790 6.174 0.789 1.00 0.76 C ATOM 1082 OH TYR A 70 -15.063 6.345 1.288 1.00 0.93 O ATOM 0 H TYR A 70 -10.820 4.487 -2.885 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.648 7.103 -2.268 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.527 4.608 -0.595 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -9.131 6.251 -0.130 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -11.778 7.306 -1.651 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -10.987 4.414 1.369 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -14.049 7.599 -0.778 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -13.254 4.715 2.253 1.00 1.24 H new ATOM 0 HH TYR A 70 -15.194 5.756 2.060 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.459 6.299 -3.166 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.150 5.893 -3.607 1.00 0.19 C ATOM 1094 C LEU A 71 -5.154 6.149 -2.520 1.00 0.20 C ATOM 1095 O LEU A 71 -4.780 7.277 -2.236 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.662 6.610 -4.865 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.155 6.413 -5.091 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.841 4.961 -5.415 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -3.618 7.322 -6.171 1.00 0.52 C ATOM 0 H LEU A 71 -7.663 7.290 -3.296 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.237 4.833 -3.848 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.210 6.238 -5.730 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -5.880 7.675 -4.783 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.656 6.681 -4.160 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.768 4.847 -5.571 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.157 4.327 -4.587 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.372 4.667 -6.320 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -2.549 7.147 -6.295 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.131 7.114 -7.110 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -3.785 8.361 -5.888 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.722 5.095 -1.935 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.637 5.151 -1.022 1.00 0.21 C ATOM 1113 C PHE A 72 -2.363 5.003 -1.818 1.00 0.23 C ATOM 1114 O PHE A 72 -2.077 3.962 -2.410 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.774 4.054 0.000 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.961 4.201 0.910 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -6.184 3.658 0.562 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.849 4.881 2.112 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -7.278 3.793 1.394 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -5.938 5.019 2.948 1.00 0.33 C ATOM 1121 CZ PHE A 72 -7.152 4.471 2.593 1.00 0.30 C ATOM 0 H PHE A 72 -5.111 4.163 -2.075 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.624 6.099 -0.484 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.844 3.098 -0.518 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.868 4.023 0.606 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -6.285 3.123 -0.370 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.899 5.308 2.398 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -8.230 3.370 1.109 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.839 5.556 3.880 1.00 0.33 H new ATOM 0 HZ PHE A 72 -8.003 4.571 3.250 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.630 6.064 -1.835 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.415 6.154 -2.624 1.00 0.26 C ATOM 1133 C GLU A 73 0.780 6.211 -1.733 1.00 0.20 C ATOM 1134 O GLU A 73 0.932 7.125 -0.921 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.349 7.384 -3.531 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.475 8.386 -3.366 1.00 0.59 C ATOM 1137 CD GLU A 73 -1.111 9.727 -3.970 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -0.442 10.536 -3.294 1.00 1.32 O ATOM 1139 OE2 GLU A 73 -1.523 9.990 -5.125 1.00 1.09 O ATOM 0 H GLU A 73 -1.845 6.908 -1.303 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.423 5.262 -3.250 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.597 7.895 -3.350 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -0.336 7.048 -4.568 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -2.378 8.003 -3.842 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -1.701 8.511 -2.307 1.00 0.59 H new ATOM 1146 N LEU A 74 1.634 5.247 -1.899 1.00 0.21 N ATOM 1147 CA LEU A 74 2.898 5.272 -1.262 1.00 0.21 C ATOM 1148 C LEU A 74 3.800 6.126 -2.070 1.00 0.20 C ATOM 1149 O LEU A 74 3.947 5.956 -3.283 1.00 0.25 O ATOM 1150 CB LEU A 74 3.564 3.914 -1.174 1.00 0.27 C ATOM 1151 CG LEU A 74 2.743 2.802 -0.565 1.00 0.27 C ATOM 1152 CD1 LEU A 74 3.646 1.904 0.236 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.586 3.331 0.278 1.00 0.96 C ATOM 0 H LEU A 74 1.467 4.426 -2.481 1.00 0.21 H new ATOM 0 HA LEU A 74 2.730 5.637 -0.249 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.857 3.611 -2.179 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.480 4.020 -0.593 1.00 0.27 H new ATOM 0 HG LEU A 74 2.287 2.227 -1.371 1.00 0.27 H new ATOM 0 HD11 LEU A 74 3.059 1.099 0.678 1.00 0.85 H new ATOM 0 HD12 LEU A 74 4.410 1.480 -0.416 1.00 0.85 H new ATOM 0 HD13 LEU A 74 4.124 2.481 1.027 1.00 0.85 H new ATOM 0 HD21 LEU A 74 1.026 2.493 0.694 1.00 0.96 H new ATOM 0 HD22 LEU A 74 1.978 3.944 1.090 1.00 0.96 H new ATOM 0 HD23 LEU A 74 0.927 3.934 -0.347 1.00 0.96 H new ATOM 1165 N HIS A 75 4.401 7.011 -1.391 1.00 0.18 N ATOM 1166 CA HIS A 75 5.510 7.711 -1.936 1.00 0.19 C ATOM 1167 C HIS A 75 6.638 7.301 -1.061 1.00 0.19 C ATOM 1168 O HIS A 75 6.811 7.827 0.032 1.00 0.19 O ATOM 1169 CB HIS A 75 5.312 9.233 -1.903 1.00 0.23 C ATOM 1170 CG HIS A 75 4.155 9.734 -2.720 1.00 0.39 C ATOM 1171 ND1 HIS A 75 4.310 10.554 -3.814 1.00 1.01 N ATOM 1172 CD2 HIS A 75 2.820 9.553 -2.576 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.125 10.859 -4.307 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.205 10.261 -3.574 1.00 0.94 N ATOM 0 H HIS A 75 4.148 7.280 -0.440 1.00 0.18 H new ATOM 0 HA HIS A 75 5.669 7.476 -2.988 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.170 9.545 -0.868 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.224 9.712 -2.258 1.00 0.23 H new ATOM 0 HD2 HIS A 75 2.332 8.961 -1.816 1.00 1.15 H new ATOM 0 HE1 HIS A 75 2.940 11.490 -5.164 1.00 0.88 H new ATOM 0 HE2 HIS A 75 1.198 10.317 -3.726 1.00 0.94 H new ATOM 1183 N ILE A 76 7.376 6.320 -1.503 1.00 0.21 N ATOM 1184 CA ILE A 76 8.438 5.824 -0.689 1.00 0.23 C ATOM 1185 C ILE A 76 9.744 5.962 -1.413 1.00 0.25 C ATOM 1186 O ILE A 76 10.124 5.168 -2.254 1.00 0.28 O ATOM 1187 CB ILE A 76 8.211 4.372 -0.266 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.875 4.208 0.467 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.350 3.881 0.620 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.741 2.858 1.138 1.00 0.52 C ATOM 0 H ILE A 76 7.261 5.859 -2.406 1.00 0.21 H new ATOM 0 HA ILE A 76 8.464 6.422 0.222 1.00 0.23 H new ATOM 0 HB ILE A 76 8.183 3.769 -1.174 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.777 4.993 1.216 1.00 0.29 H new ATOM 0 HG13 ILE A 76 6.057 4.340 -0.242 1.00 0.29 H new ATOM 0 HG21 ILE A 76 9.166 2.846 0.908 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.290 3.944 0.072 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.409 4.502 1.514 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.776 2.796 1.642 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.810 2.070 0.388 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.540 2.734 1.868 1.00 0.52 H new ATOM 1202 N THR A 77 10.423 6.978 -1.046 1.00 0.24 N ATOM 1203 CA THR A 77 11.668 7.302 -1.592 1.00 0.26 C ATOM 1204 C THR A 77 12.725 6.983 -0.591 1.00 0.36 C ATOM 1205 O THR A 77 12.527 7.070 0.624 1.00 0.58 O ATOM 1206 CB THR A 77 11.767 8.776 -1.988 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.640 9.612 -0.828 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.677 9.131 -2.977 1.00 0.37 C ATOM 0 H THR A 77 10.108 7.630 -0.327 1.00 0.24 H new ATOM 0 HA THR A 77 11.800 6.716 -2.501 1.00 0.26 H new ATOM 0 HB THR A 77 12.741 8.940 -2.449 1.00 0.32 H new ATOM 0 HG1 THR A 77 11.707 10.553 -1.094 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.761 10.183 -3.249 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.782 8.516 -3.871 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.702 8.950 -2.524 1.00 0.37 H new ATOM 1216 N ASP A 78 13.803 6.596 -1.153 1.00 0.30 N ATOM 1217 CA ASP A 78 15.012 6.222 -0.446 1.00 0.45 C ATOM 1218 C ASP A 78 14.762 4.996 0.381 1.00 0.45 C ATOM 1219 O ASP A 78 14.417 5.029 1.564 1.00 0.70 O ATOM 1220 CB ASP A 78 15.519 7.337 0.405 1.00 0.61 C ATOM 1221 CG ASP A 78 16.875 7.051 1.016 1.00 1.44 C ATOM 1222 OD1 ASP A 78 17.888 7.121 0.289 1.00 1.97 O ATOM 1223 OD2 ASP A 78 16.924 6.750 2.227 1.00 2.12 O ATOM 0 H ASP A 78 13.894 6.520 -2.166 1.00 0.30 H new ATOM 0 HA ASP A 78 15.782 6.003 -1.185 1.00 0.45 H new ATOM 0 HB2 ASP A 78 15.582 8.244 -0.196 1.00 0.61 H new ATOM 0 HB3 ASP A 78 14.802 7.532 1.202 1.00 0.61 H new ATOM 1228 N ALA A 79 14.863 3.933 -0.320 1.00 0.37 N ATOM 1229 CA ALA A 79 14.684 2.608 0.220 1.00 0.34 C ATOM 1230 C ALA A 79 15.950 2.135 0.911 1.00 0.38 C ATOM 1231 O ALA A 79 16.973 1.906 0.267 1.00 0.40 O ATOM 1232 CB ALA A 79 14.282 1.634 -0.874 1.00 0.34 C ATOM 0 H ALA A 79 15.078 3.942 -1.317 1.00 0.37 H new ATOM 0 HA ALA A 79 13.883 2.647 0.958 1.00 0.34 H new ATOM 0 HB1 ALA A 79 14.152 0.640 -0.446 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.345 1.960 -1.325 1.00 0.34 H new ATOM 0 HB3 ALA A 79 15.060 1.602 -1.636 1.00 0.34 H new ATOM 1238 N GLN A 80 15.883 2.048 2.227 1.00 0.47 N ATOM 1239 CA GLN A 80 16.899 1.372 3.014 1.00 0.55 C ATOM 1240 C GLN A 80 17.121 -0.043 2.472 1.00 0.43 C ATOM 1241 O GLN A 80 16.161 -0.731 2.122 1.00 0.43 O ATOM 1242 CB GLN A 80 16.444 1.326 4.481 1.00 0.74 C ATOM 1243 CG GLN A 80 17.142 0.264 5.308 1.00 0.78 C ATOM 1244 CD GLN A 80 18.364 0.778 6.055 1.00 1.06 C ATOM 1245 OE1 GLN A 80 18.727 0.237 7.097 1.00 1.37 O ATOM 1246 NE2 GLN A 80 18.986 1.828 5.550 1.00 1.43 N ATOM 0 H GLN A 80 15.123 2.444 2.781 1.00 0.47 H new ATOM 0 HA GLN A 80 17.843 1.914 2.949 1.00 0.55 H new ATOM 0 HB2 GLN A 80 16.620 2.301 4.936 1.00 0.74 H new ATOM 0 HB3 GLN A 80 15.369 1.149 4.512 1.00 0.74 H new ATOM 0 HG2 GLN A 80 16.434 -0.148 6.027 1.00 0.78 H new ATOM 0 HG3 GLN A 80 17.444 -0.554 4.654 1.00 0.78 H new ATOM 0 HE21 GLN A 80 18.654 2.249 4.682 1.00 1.43 H new ATOM 0 HE22 GLN A 80 19.799 2.218 6.028 1.00 1.43 H new ATOM 1255 N PRO A 81 18.389 -0.499 2.404 1.00 0.42 N ATOM 1256 CA PRO A 81 18.745 -1.827 1.865 1.00 0.44 C ATOM 1257 C PRO A 81 18.165 -2.973 2.688 1.00 0.54 C ATOM 1258 O PRO A 81 18.309 -4.140 2.337 1.00 1.33 O ATOM 1259 CB PRO A 81 20.275 -1.844 1.937 1.00 0.50 C ATOM 1260 CG PRO A 81 20.609 -0.847 2.989 1.00 0.57 C ATOM 1261 CD PRO A 81 19.584 0.235 2.850 1.00 0.49 C ATOM 0 HA PRO A 81 18.347 -1.972 0.861 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.649 -2.835 2.196 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.721 -1.575 0.979 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.574 -1.296 3.981 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.616 -0.454 2.852 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.412 0.752 3.794 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.889 0.989 2.125 1.00 0.49 H new ATOM 1269 N ALA A 82 17.504 -2.628 3.777 1.00 0.81 N ATOM 1270 CA ALA A 82 16.877 -3.616 4.626 1.00 0.88 C ATOM 1271 C ALA A 82 15.358 -3.518 4.544 1.00 0.77 C ATOM 1272 O ALA A 82 14.649 -4.088 5.373 1.00 0.91 O ATOM 1273 CB ALA A 82 17.347 -3.446 6.062 1.00 1.12 C ATOM 0 H ALA A 82 17.389 -1.665 4.093 1.00 0.81 H new ATOM 0 HA ALA A 82 17.169 -4.606 4.276 1.00 0.88 H new ATOM 0 HB1 ALA A 82 16.868 -4.195 6.693 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.429 -3.571 6.108 1.00 1.12 H new ATOM 0 HB3 ALA A 82 17.081 -2.450 6.416 1.00 1.12 H new ATOM 1279 N PHE A 83 14.849 -2.807 3.536 1.00 0.64 N ATOM 1280 CA PHE A 83 13.422 -2.689 3.369 1.00 0.68 C ATOM 1281 C PHE A 83 12.896 -3.790 2.496 1.00 0.76 C ATOM 1282 O PHE A 83 11.767 -4.192 2.710 1.00 1.24 O ATOM 1283 CB PHE A 83 13.048 -1.337 2.780 1.00 0.74 C ATOM 1284 CG PHE A 83 12.733 -0.275 3.802 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.120 -0.616 4.997 1.00 0.80 C ATOM 1286 CD2 PHE A 83 13.046 1.060 3.573 1.00 0.75 C ATOM 1287 CE1 PHE A 83 11.819 0.349 5.941 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.750 2.027 4.517 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.168 1.699 5.684 1.00 0.88 C ATOM 0 H PHE A 83 15.406 -2.314 2.837 1.00 0.64 H new ATOM 0 HA PHE A 83 12.967 -2.773 4.356 1.00 0.68 H new ATOM 0 HB2 PHE A 83 13.869 -0.988 2.154 1.00 0.74 H new ATOM 0 HB3 PHE A 83 12.183 -1.465 2.129 1.00 0.74 H new ATOM 0 HD1 PHE A 83 11.874 -1.649 5.194 1.00 0.80 H new ATOM 0 HD2 PHE A 83 13.525 1.345 2.648 1.00 0.75 H new ATOM 0 HE1 PHE A 83 11.324 0.078 6.862 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.990 3.060 4.314 1.00 0.83 H new ATOM 0 HZ PHE A 83 11.967 2.461 6.423 1.00 0.88 H new ATOM 1299 N THR A 84 13.743 -4.276 1.558 1.00 0.55 N ATOM 1300 CA THR A 84 13.386 -5.262 0.544 1.00 0.58 C ATOM 1301 C THR A 84 11.924 -5.636 0.635 1.00 0.80 C ATOM 1302 O THR A 84 11.523 -6.626 1.243 1.00 1.22 O ATOM 1303 CB THR A 84 14.300 -6.476 0.623 1.00 0.97 C ATOM 1304 OG1 THR A 84 15.661 -6.047 0.482 1.00 1.10 O ATOM 1305 CG2 THR A 84 13.966 -7.491 -0.464 1.00 1.17 C ATOM 0 H THR A 84 14.716 -3.977 1.495 1.00 0.55 H new ATOM 0 HA THR A 84 13.534 -4.813 -0.438 1.00 0.58 H new ATOM 0 HB THR A 84 14.155 -6.959 1.590 1.00 0.97 H new ATOM 0 HG1 THR A 84 16.256 -6.824 0.534 1.00 1.10 H new ATOM 0 HG21 THR A 84 14.636 -8.347 -0.381 1.00 1.17 H new ATOM 0 HG22 THR A 84 12.935 -7.825 -0.346 1.00 1.17 H new ATOM 0 HG23 THR A 84 14.088 -7.028 -1.443 1.00 1.17 H new ATOM 1313 N GLY A 85 11.164 -4.741 0.057 1.00 0.87 N ATOM 1314 CA GLY A 85 9.776 -4.622 0.260 1.00 1.43 C ATOM 1315 C GLY A 85 9.035 -5.889 0.205 1.00 0.96 C ATOM 1316 O GLY A 85 9.101 -6.651 -0.744 1.00 1.29 O ATOM 0 H GLY A 85 11.532 -4.050 -0.597 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.603 -4.158 1.231 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.369 -3.946 -0.493 1.00 1.43 H new ATOM 1320 N GLY A 86 8.407 -6.104 1.285 1.00 0.52 N ATOM 1321 CA GLY A 86 7.309 -6.993 1.342 1.00 0.52 C ATOM 1322 C GLY A 86 6.115 -6.223 1.818 1.00 0.40 C ATOM 1323 O GLY A 86 5.698 -6.318 2.966 1.00 0.43 O ATOM 0 H GLY A 86 8.639 -5.664 2.175 1.00 0.52 H new ATOM 0 HA2 GLY A 86 7.117 -7.425 0.360 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.523 -7.821 2.018 1.00 0.52 H new ATOM 1327 N TYR A 87 5.655 -5.362 0.950 1.00 0.34 N ATOM 1328 CA TYR A 87 4.492 -4.550 1.212 1.00 0.28 C ATOM 1329 C TYR A 87 3.246 -5.418 1.102 1.00 0.30 C ATOM 1330 O TYR A 87 3.058 -6.113 0.101 1.00 0.39 O ATOM 1331 CB TYR A 87 4.417 -3.405 0.204 1.00 0.35 C ATOM 1332 CG TYR A 87 5.593 -2.468 0.269 1.00 0.39 C ATOM 1333 CD1 TYR A 87 6.818 -2.815 -0.282 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.476 -1.235 0.885 1.00 0.47 C ATOM 1335 CE1 TYR A 87 7.896 -1.958 -0.212 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.545 -0.375 0.956 1.00 0.54 C ATOM 1337 CZ TYR A 87 7.754 -0.737 0.406 1.00 0.54 C ATOM 1338 OH TYR A 87 8.827 0.124 0.481 1.00 0.63 O ATOM 0 H TYR A 87 6.077 -5.202 0.036 1.00 0.34 H new ATOM 0 HA TYR A 87 4.559 -4.129 2.215 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.349 -3.821 -0.801 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.502 -2.839 0.377 1.00 0.35 H new ATOM 0 HD1 TYR A 87 6.929 -3.770 -0.773 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.530 -0.944 1.317 1.00 0.47 H new ATOM 0 HE1 TYR A 87 8.846 -2.243 -0.640 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.437 0.583 1.442 1.00 0.54 H new ATOM 0 HH TYR A 87 8.670 0.894 -0.105 1.00 0.63 H new ATOM 1348 N ARG A 88 2.402 -5.402 2.116 1.00 0.33 N ATOM 1349 CA ARG A 88 1.180 -6.162 2.072 1.00 0.36 C ATOM 1350 C ARG A 88 -0.001 -5.235 2.241 1.00 0.36 C ATOM 1351 O ARG A 88 -0.263 -4.753 3.342 1.00 0.60 O ATOM 1352 CB ARG A 88 1.155 -7.221 3.169 1.00 0.42 C ATOM 1353 CG ARG A 88 2.031 -8.427 2.890 1.00 1.09 C ATOM 1354 CD ARG A 88 1.976 -9.412 4.048 1.00 1.23 C ATOM 1355 NE ARG A 88 0.600 -9.659 4.497 1.00 1.73 N ATOM 1356 CZ ARG A 88 0.261 -10.586 5.391 1.00 2.17 C ATOM 1357 NH1 ARG A 88 1.183 -11.409 5.881 1.00 2.11 N ATOM 1358 NH2 ARG A 88 -1.005 -10.693 5.791 1.00 3.15 N ATOM 0 H ARG A 88 2.545 -4.871 2.975 1.00 0.33 H new ATOM 0 HA ARG A 88 1.123 -6.663 1.106 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.473 -6.764 4.106 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.128 -7.557 3.310 1.00 0.42 H new ATOM 0 HG2 ARG A 88 1.702 -8.917 1.974 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.060 -8.106 2.728 1.00 1.09 H new ATOM 0 HD2 ARG A 88 2.433 -10.354 3.744 1.00 1.23 H new ATOM 0 HD3 ARG A 88 2.565 -9.026 4.880 1.00 1.23 H new ATOM 0 HE ARG A 88 -0.143 -9.084 4.099 1.00 1.73 H new ATOM 0 HH11 ARG A 88 2.152 -11.331 5.572 1.00 2.11 H new ATOM 0 HH12 ARG A 88 0.921 -12.118 6.566 1.00 2.11 H new ATOM 0 HH21 ARG A 88 -1.714 -10.065 5.413 1.00 3.15 H new ATOM 0 HH22 ARG A 88 -1.265 -11.403 6.476 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.693 -4.964 1.159 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.886 -4.159 1.234 1.00 0.27 C ATOM 1374 C CYS A 89 -3.061 -5.081 1.420 1.00 0.25 C ATOM 1375 O CYS A 89 -3.297 -5.978 0.611 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.062 -3.319 -0.013 1.00 0.39 C ATOM 1377 SG CYS A 89 -2.825 -1.714 0.289 1.00 1.08 S ATOM 0 H CYS A 89 -0.451 -5.288 0.222 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.809 -3.470 2.075 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -1.087 -3.166 -0.476 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.672 -3.871 -0.728 1.00 0.39 H new ATOM 0 HG CYS A 89 -1.898 -0.819 0.464 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.763 -4.874 2.494 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.797 -5.787 2.909 1.00 0.28 C ATOM 1385 C GLU A 90 -6.009 -4.994 3.372 1.00 0.26 C ATOM 1386 O GLU A 90 -5.984 -4.356 4.428 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.237 -6.656 4.032 1.00 0.35 C ATOM 1388 CG GLU A 90 -4.934 -7.989 4.231 1.00 1.19 C ATOM 1389 CD GLU A 90 -4.196 -8.865 5.226 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -2.944 -8.921 5.169 1.00 1.81 O ATOM 1391 OE2 GLU A 90 -4.854 -9.486 6.083 1.00 1.43 O ATOM 0 H GLU A 90 -3.639 -4.070 3.109 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.112 -6.428 2.086 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -3.182 -6.843 3.832 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -4.290 -6.094 4.965 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -5.952 -7.819 4.581 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -5.008 -8.507 3.275 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.053 -4.992 2.560 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.247 -4.224 2.874 1.00 0.22 C ATOM 1400 C VAL A 91 -9.361 -5.120 3.382 1.00 0.22 C ATOM 1401 O VAL A 91 -9.575 -6.235 2.888 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.749 -3.387 1.672 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.967 -4.260 0.449 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.024 -2.624 2.023 1.00 0.51 C ATOM 0 H VAL A 91 -7.099 -5.511 1.683 1.00 0.24 H new ATOM 0 HA VAL A 91 -7.962 -3.529 3.664 1.00 0.22 H new ATOM 0 HB VAL A 91 -7.974 -2.658 1.434 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.319 -3.645 -0.379 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -8.028 -4.739 0.171 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.711 -5.024 0.675 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.352 -2.046 1.159 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.805 -3.330 2.304 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.827 -1.950 2.857 1.00 0.51 H new ATOM 1414 N SER A 92 -10.076 -4.600 4.360 1.00 0.22 N ATOM 1415 CA SER A 92 -11.140 -5.325 5.003 1.00 0.25 C ATOM 1416 C SER A 92 -12.302 -4.378 5.228 1.00 0.26 C ATOM 1417 O SER A 92 -12.221 -3.439 6.023 1.00 0.30 O ATOM 1418 CB SER A 92 -10.658 -5.927 6.325 1.00 0.32 C ATOM 1419 OG SER A 92 -11.607 -6.847 6.845 1.00 1.18 O ATOM 0 H SER A 92 -9.931 -3.660 4.728 1.00 0.22 H new ATOM 0 HA SER A 92 -11.463 -6.150 4.368 1.00 0.25 H new ATOM 0 HB2 SER A 92 -9.704 -6.432 6.172 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.485 -5.131 7.049 1.00 0.32 H new ATOM 0 HG SER A 92 -11.274 -7.218 7.689 1.00 1.18 H new ATOM 1425 N THR A 93 -13.359 -4.601 4.483 1.00 0.28 N ATOM 1426 CA THR A 93 -14.528 -3.758 4.537 1.00 0.35 C ATOM 1427 C THR A 93 -15.742 -4.646 4.719 1.00 0.39 C ATOM 1428 O THR A 93 -15.576 -5.860 4.676 1.00 0.59 O ATOM 1429 CB THR A 93 -14.627 -2.951 3.248 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.307 -2.612 2.819 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.413 -1.678 3.453 1.00 0.57 C ATOM 0 H THR A 93 -13.432 -5.374 3.821 1.00 0.28 H new ATOM 0 HA THR A 93 -14.467 -3.058 5.370 1.00 0.35 H new ATOM 0 HB THR A 93 -15.141 -3.555 2.500 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.754 -2.400 3.600 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.464 -1.127 2.514 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.422 -1.923 3.785 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.921 -1.064 4.208 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.927 -4.029 4.913 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.214 -4.724 5.170 1.00 0.43 C ATOM 1441 C LYS A 94 -18.151 -6.240 5.066 1.00 0.42 C ATOM 1442 O LYS A 94 -18.399 -6.960 6.028 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.323 -4.210 4.231 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.864 -3.639 2.884 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.311 -4.666 1.914 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.355 -5.694 1.515 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.614 -5.077 1.029 1.00 0.65 N ATOM 0 H LYS A 94 -17.022 -3.014 4.896 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.444 -4.486 6.208 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -20.014 -5.030 4.037 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.885 -3.438 4.756 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.707 -3.132 2.414 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -18.100 -2.884 3.067 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -17.942 -4.160 1.022 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.460 -5.172 2.369 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.946 -6.336 0.735 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.575 -6.332 2.371 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.409 -5.403 1.615 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.540 -4.042 1.091 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.777 -5.353 0.040 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.810 -6.691 3.884 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.806 -8.082 3.548 1.00 0.40 C ATOM 1463 C ASP A 95 -16.863 -8.334 2.374 1.00 0.37 C ATOM 1464 O ASP A 95 -16.703 -9.465 1.937 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.220 -8.497 3.177 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.685 -9.754 3.878 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -19.116 -10.082 4.938 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -20.626 -10.403 3.390 1.00 1.05 O ATOM 0 H ASP A 95 -17.522 -6.083 3.117 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.460 -8.667 4.400 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.904 -7.683 3.417 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.274 -8.651 2.099 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.232 -7.277 1.854 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.330 -7.432 0.741 1.00 0.29 C ATOM 1475 C LYS A 96 -13.929 -7.527 1.280 1.00 0.27 C ATOM 1476 O LYS A 96 -13.516 -6.753 2.146 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.422 -6.311 -0.319 1.00 0.30 C ATOM 1478 CG LYS A 96 -15.854 -6.823 -1.678 1.00 0.56 C ATOM 1479 CD LYS A 96 -14.783 -7.702 -2.307 1.00 0.82 C ATOM 1480 CE LYS A 96 -15.391 -8.867 -3.064 1.00 1.00 C ATOM 1481 NZ LYS A 96 -16.200 -8.434 -4.226 1.00 1.29 N ATOM 0 H LYS A 96 -16.336 -6.320 2.191 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.621 -8.342 0.215 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.128 -5.553 0.020 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.451 -5.823 -0.411 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -16.779 -7.390 -1.577 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -16.067 -5.980 -2.335 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -14.174 -7.105 -2.985 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -14.118 -8.079 -1.530 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -14.595 -9.527 -3.407 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -16.017 -9.448 -2.387 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -16.592 -9.269 -4.707 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -16.978 -7.826 -3.900 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -15.600 -7.903 -4.888 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.242 -8.512 0.799 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.905 -8.816 1.260 1.00 0.29 C ATOM 1497 C PHE A 97 -10.952 -9.038 0.098 1.00 0.32 C ATOM 1498 O PHE A 97 -11.347 -9.564 -0.944 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.956 -10.059 2.139 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.672 -10.341 2.872 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -10.326 -9.604 3.995 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.817 -11.342 2.444 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -9.151 -9.860 4.675 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -8.639 -11.602 3.119 1.00 0.77 C ATOM 1505 CZ PHE A 97 -8.295 -10.865 4.216 1.00 0.74 C ATOM 0 H PHE A 97 -13.585 -9.138 0.071 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.532 -7.967 1.832 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.760 -9.945 2.866 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -12.206 -10.920 1.519 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -10.983 -8.820 4.342 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -10.073 -11.927 1.573 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -8.896 -9.288 5.555 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.987 -12.392 2.777 1.00 0.77 H new ATOM 0 HZ PHE A 97 -7.364 -11.058 4.728 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.703 -8.630 0.289 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.634 -8.918 -0.675 1.00 0.43 C ATOM 1517 C ASP A 98 -7.300 -8.411 -0.142 1.00 0.36 C ATOM 1518 O ASP A 98 -7.268 -7.618 0.803 1.00 0.36 O ATOM 1519 CB ASP A 98 -8.919 -8.281 -2.045 1.00 0.56 C ATOM 1520 CG ASP A 98 -8.066 -8.879 -3.156 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -8.469 -9.913 -3.731 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -6.986 -8.329 -3.452 1.00 1.60 O ATOM 0 H ASP A 98 -9.399 -8.097 1.104 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.591 -9.999 -0.807 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.973 -8.412 -2.290 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.736 -7.208 -1.988 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.211 -8.864 -0.746 1.00 0.35 N ATOM 1528 CA CYS A 99 -4.879 -8.462 -0.331 1.00 0.30 C ATOM 1529 C CYS A 99 -3.905 -8.561 -1.493 1.00 0.32 C ATOM 1530 O CYS A 99 -4.023 -9.439 -2.350 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.397 -9.319 0.839 1.00 0.34 C ATOM 1532 SG CYS A 99 -4.628 -11.095 0.600 1.00 1.19 S ATOM 0 H CYS A 99 -6.227 -9.515 -1.531 1.00 0.35 H new ATOM 0 HA CYS A 99 -4.924 -7.423 -0.003 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -3.339 -9.121 1.008 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -4.927 -9.013 1.741 1.00 0.34 H new ATOM 0 HG CYS A 99 -4.187 -11.734 1.643 1.00 1.19 H new ATOM 1538 N SER A 100 -2.940 -7.661 -1.512 1.00 0.27 N ATOM 1539 CA SER A 100 -1.982 -7.594 -2.603 1.00 0.30 C ATOM 1540 C SER A 100 -0.555 -7.694 -2.070 1.00 0.31 C ATOM 1541 O SER A 100 -0.195 -7.012 -1.107 1.00 0.42 O ATOM 1542 CB SER A 100 -2.179 -6.285 -3.372 1.00 0.38 C ATOM 1543 OG SER A 100 -1.867 -5.166 -2.565 1.00 0.84 O ATOM 0 H SER A 100 -2.797 -6.963 -0.782 1.00 0.27 H new ATOM 0 HA SER A 100 -2.148 -8.434 -3.278 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.547 -6.283 -4.260 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.211 -6.213 -3.715 1.00 0.38 H new ATOM 0 HG SER A 100 -0.894 -5.080 -2.487 1.00 0.84 H new ATOM 1549 N ASN A 101 0.247 -8.553 -2.685 1.00 0.34 N ATOM 1550 CA ASN A 101 1.651 -8.688 -2.316 1.00 0.37 C ATOM 1551 C ASN A 101 2.542 -7.999 -3.346 1.00 0.42 C ATOM 1552 O ASN A 101 2.485 -8.303 -4.537 1.00 0.65 O ATOM 1553 CB ASN A 101 2.039 -10.168 -2.121 1.00 0.60 C ATOM 1554 CG ASN A 101 1.518 -11.117 -3.200 1.00 0.97 C ATOM 1555 OD1 ASN A 101 1.172 -12.258 -2.907 1.00 1.58 O ATOM 1556 ND2 ASN A 101 1.478 -10.675 -4.445 1.00 1.05 N ATOM 0 H ASN A 101 -0.051 -9.168 -3.443 1.00 0.34 H new ATOM 0 HA ASN A 101 1.804 -8.191 -1.358 1.00 0.37 H new ATOM 0 HB2 ASN A 101 3.126 -10.242 -2.086 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.666 -10.502 -1.153 1.00 0.60 H new ATOM 0 HD21 ASN A 101 1.153 -11.287 -5.193 1.00 1.05 H new ATOM 0 HD22 ASN A 101 1.772 -9.722 -4.657 1.00 1.05 H new ATOM 1563 N PHE A 102 3.325 -7.033 -2.890 1.00 0.31 N ATOM 1564 CA PHE A 102 4.176 -6.261 -3.781 1.00 0.38 C ATOM 1565 C PHE A 102 5.497 -5.955 -3.094 1.00 0.30 C ATOM 1566 O PHE A 102 5.536 -5.445 -1.973 1.00 0.37 O ATOM 1567 CB PHE A 102 3.462 -4.990 -4.278 1.00 0.57 C ATOM 1568 CG PHE A 102 2.682 -4.226 -3.238 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.694 -4.850 -2.505 1.00 0.59 C ATOM 1570 CD2 PHE A 102 2.957 -2.897 -2.977 1.00 0.61 C ATOM 1571 CE1 PHE A 102 0.990 -4.163 -1.545 1.00 0.74 C ATOM 1572 CE2 PHE A 102 2.256 -2.206 -2.021 1.00 0.84 C ATOM 1573 CZ PHE A 102 1.230 -2.809 -1.352 1.00 0.86 C ATOM 0 H PHE A 102 3.388 -6.765 -1.908 1.00 0.31 H new ATOM 0 HA PHE A 102 4.391 -6.854 -4.670 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.208 -4.322 -4.709 1.00 0.57 H new ATOM 0 HB3 PHE A 102 2.782 -5.269 -5.083 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.471 -5.891 -2.688 1.00 0.59 H new ATOM 0 HD2 PHE A 102 3.735 -2.395 -3.533 1.00 0.61 H new ATOM 0 HE1 PHE A 102 0.253 -4.674 -0.943 1.00 0.74 H new ATOM 0 HE2 PHE A 102 2.517 -1.182 -1.797 1.00 0.84 H new ATOM 0 HZ PHE A 102 0.610 -2.237 -0.678 1.00 0.86 H new ATOM 1583 N ASN A 103 6.569 -6.309 -3.767 1.00 0.24 N ATOM 1584 CA ASN A 103 7.880 -6.306 -3.197 1.00 0.25 C ATOM 1585 C ASN A 103 8.701 -5.136 -3.696 1.00 0.28 C ATOM 1586 O ASN A 103 8.518 -4.635 -4.792 1.00 0.49 O ATOM 1587 CB ASN A 103 8.583 -7.601 -3.584 1.00 0.33 C ATOM 1588 CG ASN A 103 7.791 -8.837 -3.240 1.00 1.08 C ATOM 1589 OD1 ASN A 103 7.924 -9.401 -2.153 1.00 2.11 O ATOM 1590 ND2 ASN A 103 6.962 -9.266 -4.157 1.00 1.25 N ATOM 0 H ASN A 103 6.544 -6.611 -4.741 1.00 0.24 H new ATOM 0 HA ASN A 103 7.785 -6.219 -2.115 1.00 0.25 H new ATOM 0 HB2 ASN A 103 8.781 -7.592 -4.656 1.00 0.33 H new ATOM 0 HB3 ASN A 103 9.549 -7.646 -3.081 1.00 0.33 H new ATOM 0 HD21 ASN A 103 6.396 -10.097 -3.984 1.00 1.25 H new ATOM 0 HD22 ASN A 103 6.882 -8.770 -5.044 1.00 1.25 H new ATOM 1597 N LEU A 104 9.626 -4.734 -2.882 1.00 0.23 N ATOM 1598 CA LEU A 104 10.601 -3.715 -3.277 1.00 0.24 C ATOM 1599 C LEU A 104 12.016 -4.247 -3.127 1.00 0.25 C ATOM 1600 O LEU A 104 12.540 -4.342 -2.030 1.00 0.37 O ATOM 1601 CB LEU A 104 10.439 -2.401 -2.486 1.00 0.27 C ATOM 1602 CG LEU A 104 11.726 -1.641 -2.230 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.710 -0.331 -2.985 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.990 -1.423 -0.739 1.00 0.30 C ATOM 0 H LEU A 104 9.743 -5.086 -1.932 1.00 0.23 H new ATOM 0 HA LEU A 104 10.410 -3.484 -4.325 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.753 -1.751 -3.029 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.972 -2.627 -1.527 1.00 0.27 H new ATOM 0 HG LEU A 104 12.551 -2.251 -2.598 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.638 0.209 -2.796 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.616 -0.528 -4.053 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.865 0.271 -2.651 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.923 -0.874 -0.611 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.170 -0.851 -0.304 1.00 0.30 H new ATOM 0 HD23 LEU A 104 12.065 -2.388 -0.238 1.00 0.30 H new ATOM 1616 N THR A 105 12.646 -4.587 -4.217 1.00 0.23 N ATOM 1617 CA THR A 105 13.974 -5.130 -4.132 1.00 0.24 C ATOM 1618 C THR A 105 14.978 -3.993 -4.096 1.00 0.21 C ATOM 1619 O THR A 105 15.348 -3.444 -5.132 1.00 0.22 O ATOM 1620 CB THR A 105 14.293 -6.072 -5.301 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.159 -6.910 -5.571 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.502 -6.939 -4.966 1.00 0.32 C ATOM 0 H THR A 105 12.269 -4.500 -5.161 1.00 0.23 H new ATOM 0 HA THR A 105 14.036 -5.719 -3.217 1.00 0.24 H new ATOM 0 HB THR A 105 14.521 -5.473 -6.183 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.365 -7.509 -6.319 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.717 -7.602 -5.804 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.366 -6.302 -4.777 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.288 -7.534 -4.078 1.00 0.32 H new ATOM 1630 N VAL A 106 15.388 -3.632 -2.893 1.00 0.23 N ATOM 1631 CA VAL A 106 16.332 -2.573 -2.697 1.00 0.23 C ATOM 1632 C VAL A 106 17.731 -3.107 -2.911 1.00 0.25 C ATOM 1633 O VAL A 106 18.248 -3.960 -2.190 1.00 0.28 O ATOM 1634 CB VAL A 106 16.198 -1.884 -1.313 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.325 -2.881 -0.185 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.208 -0.751 -1.198 1.00 0.33 C ATOM 0 H VAL A 106 15.069 -4.072 -2.030 1.00 0.23 H new ATOM 0 HA VAL A 106 16.117 -1.797 -3.431 1.00 0.23 H new ATOM 0 HB VAL A 106 15.200 -1.454 -1.230 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.226 -2.365 0.770 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.541 -3.633 -0.274 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.300 -3.366 -0.236 1.00 0.31 H new ATOM 0 HG21 VAL A 106 17.108 -0.272 -0.224 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.217 -1.150 -1.304 1.00 0.33 H new ATOM 0 HG23 VAL A 106 17.024 -0.018 -1.983 1.00 0.33 H new ATOM 1646 N HIS A 107 18.296 -2.599 -3.953 1.00 0.26 N ATOM 1647 CA HIS A 107 19.589 -3.017 -4.439 1.00 0.31 C ATOM 1648 C HIS A 107 20.659 -2.111 -3.891 1.00 0.34 C ATOM 1649 O HIS A 107 20.832 -0.986 -4.345 1.00 0.36 O ATOM 1650 CB HIS A 107 19.640 -2.984 -5.971 1.00 0.36 C ATOM 1651 CG HIS A 107 18.680 -3.916 -6.649 1.00 0.43 C ATOM 1652 ND1 HIS A 107 18.831 -5.282 -6.639 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.550 -3.672 -7.358 1.00 0.70 C ATOM 1654 CE1 HIS A 107 17.845 -5.838 -7.314 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.051 -4.886 -7.766 1.00 0.53 N ATOM 0 H HIS A 107 17.869 -1.861 -4.513 1.00 0.26 H new ATOM 0 HA HIS A 107 19.759 -4.040 -4.105 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.436 -1.967 -6.306 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.652 -3.229 -6.293 1.00 0.36 H new ATOM 0 HD1 HIS A 107 19.589 -5.787 -6.180 1.00 1.19 H new ATOM 0 HD2 HIS A 107 17.121 -2.702 -7.564 1.00 0.70 H new ATOM 0 HE1 HIS A 107 17.709 -6.898 -7.471 1.00 1.10 H new ATOM 1664 N GLU A 108 21.332 -2.588 -2.880 1.00 0.45 N ATOM 1665 CA GLU A 108 22.517 -1.911 -2.368 1.00 0.56 C ATOM 1666 C GLU A 108 23.702 -2.147 -3.302 1.00 0.71 C ATOM 1667 O GLU A 108 24.217 -1.210 -3.913 1.00 1.33 O ATOM 1668 CB GLU A 108 22.852 -2.372 -0.945 1.00 0.71 C ATOM 1669 CG GLU A 108 23.973 -1.565 -0.300 1.00 0.87 C ATOM 1670 CD GLU A 108 24.123 -1.825 1.187 1.00 1.20 C ATOM 1671 OE1 GLU A 108 24.698 -2.867 1.564 1.00 1.67 O ATOM 1672 OE2 GLU A 108 23.676 -0.979 1.992 1.00 1.66 O ATOM 0 H GLU A 108 21.088 -3.446 -2.385 1.00 0.45 H new ATOM 0 HA GLU A 108 22.306 -0.842 -2.328 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.958 -2.298 -0.326 1.00 0.71 H new ATOM 0 HB3 GLU A 108 23.137 -3.424 -0.969 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.913 -1.800 -0.799 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.784 -0.503 -0.459 1.00 0.87 H new