USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 709 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 42 ASN : amide:sc= -2.27 K(o=-1.2,f=-16!) USER MOD Set 1.2: A 49 LYS NZ :NH3+ -146:sc= 1.11 (180deg=-0.997) USER MOD Single : A 1 GLY N :NH3+ 154:sc= -1.23 (180deg=-2.32!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 70:sc= 1.16 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 16 GLN : amide:sc= -0.894 K(o=-0.89,f=-3.2!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0643 USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= -0.15 (180deg=-0.671) USER MOD Single : A 28 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.055) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 136:sc= -4.74! (180deg=-9.24!) USER MOD Single : A 39 MET CE :methyl 148:sc= -0.332 (180deg=-1.72!) USER MOD Single : A 40 THR OG1 : rot 100:sc= 1.1 USER MOD Single : A 43 ASN :FLIP amide:sc= -2.18 F(o=-6.1!,f=-2.2) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 150:sc= 0.186 (180deg=0.0183) USER MOD Single : A 51 MET CE :methyl 162:sc= -0.109 (180deg=-0.539) USER MOD Single : A 54 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.111) USER MOD Single : A 55 LYS NZ :NH3+ -129:sc= -2.41! (180deg=-6.94!) USER MOD Single : A 60 GLN : amide:sc= -2.01 K(o=-2,f=-3.6!) USER MOD Single : A 61 LYS NZ :NH3+ -131:sc= -1.08 (180deg=-4.01!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.44 USER MOD Single : A 78 ASN : amide:sc= -0.291 K(o=-0.29,f=-4!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.049 7.713 15.835 1.00 0.00 N ATOM 2 CA GLY A 1 8.946 6.837 15.356 1.00 0.00 C ATOM 3 C GLY A 1 7.664 7.034 16.141 1.00 0.00 C ATOM 4 O GLY A 1 7.079 8.117 16.123 1.00 0.00 O ATOM 0 H1 GLY A 1 10.964 7.273 15.611 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.986 8.639 15.365 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.969 7.841 16.864 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.757 7.040 14.302 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.256 5.795 15.429 1.00 0.00 H new ATOM 7 N LYS A 2 7.226 5.985 16.832 1.00 0.00 N ATOM 8 CA LYS A 2 6.001 6.046 17.629 1.00 0.00 C ATOM 9 C LYS A 2 4.766 6.108 16.727 1.00 0.00 C ATOM 10 O LYS A 2 4.815 6.668 15.633 1.00 0.00 O ATOM 11 CB LYS A 2 6.028 7.255 18.572 1.00 0.00 C ATOM 12 CG LYS A 2 6.076 6.876 20.043 1.00 0.00 C ATOM 13 CD LYS A 2 5.508 7.978 20.923 1.00 0.00 C ATOM 14 CE LYS A 2 6.309 8.137 22.205 1.00 0.00 C ATOM 15 NZ LYS A 2 7.578 8.884 21.978 1.00 0.00 N ATOM 0 H LYS A 2 7.700 5.082 16.857 1.00 0.00 H new ATOM 0 HA LYS A 2 5.945 5.137 18.228 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.896 7.871 18.335 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.144 7.866 18.391 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.513 5.956 20.201 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.107 6.672 20.334 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.508 8.920 20.374 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.470 7.751 21.167 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.707 8.662 22.947 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.535 7.153 22.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.095 8.971 22.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.164 8.371 21.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.362 9.832 21.610 1.00 0.00 H new ATOM 29 N LEU A 3 3.668 5.509 17.191 1.00 0.00 N ATOM 30 CA LEU A 3 2.421 5.469 16.429 1.00 0.00 C ATOM 31 C LEU A 3 2.567 4.491 15.259 1.00 0.00 C ATOM 32 O LEU A 3 3.068 4.840 14.193 1.00 0.00 O ATOM 33 CB LEU A 3 2.013 6.889 15.973 1.00 0.00 C ATOM 34 CG LEU A 3 2.269 7.258 14.505 1.00 0.00 C ATOM 35 CD1 LEU A 3 1.183 6.678 13.611 1.00 0.00 C ATOM 36 CD2 LEU A 3 2.335 8.770 14.346 1.00 0.00 C ATOM 0 H LEU A 3 3.618 5.042 18.097 1.00 0.00 H new ATOM 0 HA LEU A 3 1.613 5.106 17.064 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.949 7.014 16.172 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.541 7.609 16.599 1.00 0.00 H new ATOM 0 HG LEU A 3 3.226 6.833 14.203 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.381 6.950 12.574 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.175 5.592 13.706 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.214 7.076 13.911 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.517 9.018 13.300 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.390 9.211 14.665 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.145 9.165 14.959 1.00 0.00 H new ATOM 48 N PRO A 4 2.183 3.219 15.470 1.00 0.00 N ATOM 49 CA PRO A 4 2.319 2.181 14.469 1.00 0.00 C ATOM 50 C PRO A 4 1.084 1.991 13.604 1.00 0.00 C ATOM 51 O PRO A 4 0.171 1.248 13.963 1.00 0.00 O ATOM 52 CB PRO A 4 2.571 0.921 15.306 1.00 0.00 C ATOM 53 CG PRO A 4 2.118 1.240 16.702 1.00 0.00 C ATOM 54 CD PRO A 4 1.643 2.673 16.717 1.00 0.00 C ATOM 0 HA PRO A 4 3.109 2.426 13.759 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.020 0.071 14.904 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.627 0.651 15.293 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.315 0.568 17.006 1.00 0.00 H new ATOM 0 HG3 PRO A 4 2.935 1.101 17.410 1.00 0.00 H new ATOM 0 HD2 PRO A 4 0.555 2.736 16.746 1.00 0.00 H new ATOM 0 HD3 PRO A 4 2.017 3.212 17.588 1.00 0.00 H new ATOM 62 N GLU A 5 1.078 2.630 12.442 1.00 0.00 N ATOM 63 CA GLU A 5 -0.029 2.484 11.511 1.00 0.00 C ATOM 64 C GLU A 5 -0.041 1.041 10.998 1.00 0.00 C ATOM 65 O GLU A 5 0.245 0.118 11.761 1.00 0.00 O ATOM 66 CB GLU A 5 0.114 3.483 10.357 1.00 0.00 C ATOM 67 CG GLU A 5 -1.214 3.904 9.748 1.00 0.00 C ATOM 68 CD GLU A 5 -1.751 5.187 10.352 1.00 0.00 C ATOM 69 OE1 GLU A 5 -0.955 5.941 10.951 1.00 0.00 O ATOM 70 OE2 GLU A 5 -2.968 5.438 10.227 1.00 0.00 O ATOM 0 H GLU A 5 1.823 3.250 12.124 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.974 2.696 12.010 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.636 4.369 10.717 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.737 3.040 9.579 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.091 4.036 8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.944 3.107 9.890 1.00 0.00 H new ATOM 77 N SER A 6 -0.349 0.831 9.720 1.00 0.00 N ATOM 78 CA SER A 6 -0.358 -0.519 9.172 1.00 0.00 C ATOM 79 C SER A 6 -0.685 -0.536 7.682 1.00 0.00 C ATOM 80 O SER A 6 -1.574 -1.270 7.250 1.00 0.00 O ATOM 81 CB SER A 6 -1.366 -1.372 9.930 1.00 0.00 C ATOM 82 OG SER A 6 -0.757 -2.034 11.025 1.00 0.00 O ATOM 0 H SER A 6 -0.592 1.566 9.056 1.00 0.00 H new ATOM 0 HA SER A 6 0.645 -0.928 9.290 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.181 -0.743 10.289 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.804 -2.107 9.255 1.00 0.00 H new ATOM 0 HG SER A 6 -0.519 -1.378 11.713 1.00 0.00 H new ATOM 88 N PRO A 7 0.019 0.262 6.858 1.00 0.00 N ATOM 89 CA PRO A 7 -0.240 0.292 5.416 1.00 0.00 C ATOM 90 C PRO A 7 -0.040 -1.069 4.755 1.00 0.00 C ATOM 91 O PRO A 7 -0.020 -2.105 5.420 1.00 0.00 O ATOM 92 CB PRO A 7 0.783 1.301 4.892 1.00 0.00 C ATOM 93 CG PRO A 7 1.084 2.151 6.070 1.00 0.00 C ATOM 94 CD PRO A 7 1.107 1.196 7.226 1.00 0.00 C ATOM 0 HA PRO A 7 -1.273 0.559 5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.679 0.804 4.519 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.378 1.889 4.068 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.041 2.661 5.957 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.326 2.922 6.207 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.068 0.690 7.321 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.915 1.696 8.175 1.00 0.00 H new ATOM 102 N LYS A 8 0.108 -1.047 3.437 1.00 0.00 N ATOM 103 CA LYS A 8 0.311 -2.260 2.647 1.00 0.00 C ATOM 104 C LYS A 8 0.935 -1.902 1.305 1.00 0.00 C ATOM 105 O LYS A 8 0.702 -2.560 0.291 1.00 0.00 O ATOM 106 CB LYS A 8 -1.013 -3.006 2.444 1.00 0.00 C ATOM 107 CG LYS A 8 -1.128 -4.274 3.274 1.00 0.00 C ATOM 108 CD LYS A 8 0.038 -5.217 3.019 1.00 0.00 C ATOM 109 CE LYS A 8 0.999 -5.249 4.197 1.00 0.00 C ATOM 110 NZ LYS A 8 0.592 -6.251 5.220 1.00 0.00 N ATOM 0 H LYS A 8 0.091 -0.190 2.884 1.00 0.00 H new ATOM 0 HA LYS A 8 0.988 -2.921 3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.838 -2.340 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.119 -3.261 1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.163 -4.015 4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.064 -4.780 3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.340 -6.222 2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.571 -4.903 2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.002 -5.482 3.840 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.045 -4.261 4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.273 -6.241 6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.355 -6.015 5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.573 -7.198 4.790 1.00 0.00 H new ATOM 124 N ARG A 9 1.744 -0.852 1.331 1.00 0.00 N ATOM 125 CA ARG A 9 2.448 -0.361 0.156 1.00 0.00 C ATOM 126 C ARG A 9 1.542 -0.232 -1.080 1.00 0.00 C ATOM 127 O ARG A 9 0.980 0.833 -1.343 1.00 0.00 O ATOM 128 CB ARG A 9 3.683 -1.237 -0.148 1.00 0.00 C ATOM 129 CG ARG A 9 4.077 -2.196 0.969 1.00 0.00 C ATOM 130 CD ARG A 9 4.881 -1.488 2.044 1.00 0.00 C ATOM 131 NE ARG A 9 5.477 -2.427 2.991 1.00 0.00 N ATOM 132 CZ ARG A 9 4.781 -3.108 3.899 1.00 0.00 C ATOM 133 NH1 ARG A 9 3.466 -2.955 3.989 1.00 0.00 N ATOM 134 NH2 ARG A 9 5.402 -3.945 4.719 1.00 0.00 N ATOM 0 H ARG A 9 1.931 -0.313 2.176 1.00 0.00 H new ATOM 0 HA ARG A 9 2.784 0.648 0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.488 -1.815 -1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.529 -0.585 -0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.181 -2.632 1.410 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.662 -3.018 0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.668 -0.896 1.577 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.235 -0.793 2.581 1.00 0.00 H new ATOM 0 HE ARG A 9 6.486 -2.569 2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.983 -2.313 3.361 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.938 -3.479 4.687 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.413 -4.067 4.654 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.869 -4.467 5.415 1.00 0.00 H new ATOM 148 N ALA A 10 1.436 -1.292 -1.866 1.00 0.00 N ATOM 149 CA ALA A 10 0.655 -1.246 -3.090 1.00 0.00 C ATOM 150 C ALA A 10 -0.850 -1.224 -2.852 1.00 0.00 C ATOM 151 O ALA A 10 -1.491 -0.181 -2.978 1.00 0.00 O ATOM 152 CB ALA A 10 1.043 -2.420 -3.974 1.00 0.00 C ATOM 0 H ALA A 10 1.880 -2.191 -1.678 1.00 0.00 H new ATOM 0 HA ALA A 10 0.887 -0.304 -3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.460 -2.391 -4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.104 -2.359 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.843 -3.353 -3.448 1.00 0.00 H new ATOM 158 N GLU A 11 -1.415 -2.381 -2.545 1.00 0.00 N ATOM 159 CA GLU A 11 -2.851 -2.500 -2.333 1.00 0.00 C ATOM 160 C GLU A 11 -3.383 -1.466 -1.344 1.00 0.00 C ATOM 161 O GLU A 11 -4.567 -1.153 -1.356 1.00 0.00 O ATOM 162 CB GLU A 11 -3.195 -3.909 -1.845 1.00 0.00 C ATOM 163 CG GLU A 11 -3.679 -4.833 -2.950 1.00 0.00 C ATOM 164 CD GLU A 11 -4.442 -6.030 -2.417 1.00 0.00 C ATOM 165 OE1 GLU A 11 -5.159 -5.874 -1.406 1.00 0.00 O ATOM 166 OE2 GLU A 11 -4.323 -7.122 -3.010 1.00 0.00 O ATOM 0 H GLU A 11 -0.900 -3.255 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.333 -2.311 -3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.314 -4.347 -1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.965 -3.841 -1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.319 -4.273 -3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.823 -5.181 -3.529 1.00 0.00 H new ATOM 173 N GLU A 12 -2.524 -0.949 -0.474 1.00 0.00 N ATOM 174 CA GLU A 12 -2.969 0.024 0.520 1.00 0.00 C ATOM 175 C GLU A 12 -3.112 1.431 -0.050 1.00 0.00 C ATOM 176 O GLU A 12 -4.221 1.954 -0.141 1.00 0.00 O ATOM 177 CB GLU A 12 -2.024 0.051 1.716 1.00 0.00 C ATOM 178 CG GLU A 12 -2.752 -0.030 3.049 1.00 0.00 C ATOM 179 CD GLU A 12 -3.028 1.336 3.646 1.00 0.00 C ATOM 180 OE1 GLU A 12 -2.955 2.336 2.901 1.00 0.00 O ATOM 181 OE2 GLU A 12 -3.318 1.406 4.859 1.00 0.00 O ATOM 0 H GLU A 12 -1.532 -1.181 -0.434 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.958 -0.302 0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.325 -0.782 1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.434 0.967 1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.695 -0.560 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.156 -0.615 3.749 1.00 0.00 H new ATOM 188 N ILE A 13 -1.995 2.060 -0.407 1.00 0.00 N ATOM 189 CA ILE A 13 -2.043 3.422 -0.929 1.00 0.00 C ATOM 190 C ILE A 13 -3.073 3.567 -2.024 1.00 0.00 C ATOM 191 O ILE A 13 -3.905 4.475 -2.013 1.00 0.00 O ATOM 192 CB ILE A 13 -0.666 3.893 -1.456 1.00 0.00 C ATOM 193 CG1 ILE A 13 -0.383 5.292 -0.912 1.00 0.00 C ATOM 194 CG2 ILE A 13 -0.567 3.869 -2.991 1.00 0.00 C ATOM 195 CD1 ILE A 13 -0.324 5.337 0.593 1.00 0.00 C ATOM 0 H ILE A 13 -1.060 1.656 -0.346 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.329 4.055 -0.089 1.00 0.00 H new ATOM 0 HB ILE A 13 0.088 3.191 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.563 5.649 -1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.158 5.975 -1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.422 4.210 -3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.728 2.852 -3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.325 4.527 -3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.120 6.357 0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.278 5.009 1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.469 4.678 0.946 1.00 0.00 H new ATOM 207 N TRP A 14 -2.963 2.697 -2.996 1.00 0.00 N ATOM 208 CA TRP A 14 -3.829 2.751 -4.152 1.00 0.00 C ATOM 209 C TRP A 14 -5.273 2.326 -3.895 1.00 0.00 C ATOM 210 O TRP A 14 -6.191 3.075 -4.231 1.00 0.00 O ATOM 211 CB TRP A 14 -3.226 1.959 -5.295 1.00 0.00 C ATOM 212 CG TRP A 14 -3.260 2.753 -6.545 1.00 0.00 C ATOM 213 CD1 TRP A 14 -2.393 3.731 -6.916 1.00 0.00 C ATOM 214 CD2 TRP A 14 -4.247 2.672 -7.560 1.00 0.00 C ATOM 215 NE1 TRP A 14 -2.782 4.267 -8.113 1.00 0.00 N ATOM 216 CE2 TRP A 14 -3.925 3.624 -8.536 1.00 0.00 C ATOM 217 CE3 TRP A 14 -5.369 1.874 -7.732 1.00 0.00 C ATOM 218 CZ2 TRP A 14 -4.705 3.797 -9.679 1.00 0.00 C ATOM 219 CZ3 TRP A 14 -6.140 2.042 -8.860 1.00 0.00 C ATOM 220 CH2 TRP A 14 -5.808 2.995 -9.822 1.00 0.00 C ATOM 0 H TRP A 14 -2.280 1.939 -3.012 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.894 3.805 -4.421 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.198 1.688 -5.056 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.777 1.029 -5.432 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -1.526 4.039 -6.350 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -2.305 5.019 -8.610 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -5.633 1.133 -6.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.450 4.536 -10.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.016 1.426 -9.002 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -6.432 3.104 -10.697 1.00 0.00 H new ATOM 231 N GLN A 15 -5.504 1.145 -3.327 1.00 0.00 N ATOM 232 CA GLN A 15 -6.877 0.707 -3.083 1.00 0.00 C ATOM 233 C GLN A 15 -7.672 1.824 -2.424 1.00 0.00 C ATOM 234 O GLN A 15 -8.604 2.361 -3.015 1.00 0.00 O ATOM 235 CB GLN A 15 -6.923 -0.545 -2.210 1.00 0.00 C ATOM 236 CG GLN A 15 -8.323 -1.110 -2.034 1.00 0.00 C ATOM 237 CD GLN A 15 -8.404 -2.128 -0.914 1.00 0.00 C ATOM 238 OE1 GLN A 15 -9.232 -2.010 -0.011 1.00 0.00 O ATOM 239 NE2 GLN A 15 -7.542 -3.136 -0.968 1.00 0.00 N ATOM 0 H GLN A 15 -4.780 0.489 -3.033 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.322 0.461 -4.047 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.284 -1.310 -2.651 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.509 -0.310 -1.230 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.017 -0.295 -1.830 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.643 -1.575 -2.966 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.873 -3.194 -1.735 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.549 -3.853 -0.242 1.00 0.00 H new ATOM 248 N GLN A 16 -7.281 2.187 -1.208 1.00 0.00 N ATOM 249 CA GLN A 16 -7.953 3.257 -0.484 1.00 0.00 C ATOM 250 C GLN A 16 -8.011 4.524 -1.331 1.00 0.00 C ATOM 251 O GLN A 16 -8.929 5.332 -1.192 1.00 0.00 O ATOM 252 CB GLN A 16 -7.237 3.548 0.838 1.00 0.00 C ATOM 253 CG GLN A 16 -6.830 2.300 1.603 1.00 0.00 C ATOM 254 CD GLN A 16 -7.969 1.309 1.759 1.00 0.00 C ATOM 255 OE1 GLN A 16 -9.137 1.657 1.586 1.00 0.00 O ATOM 256 NE2 GLN A 16 -7.633 0.067 2.087 1.00 0.00 N ATOM 0 H GLN A 16 -6.505 1.757 -0.705 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.970 2.930 -0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.348 4.145 0.635 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.889 4.153 1.468 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.002 1.816 1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.466 2.587 2.590 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.652 -0.177 2.221 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.356 -0.643 2.205 1.00 0.00 H new ATOM 265 N SER A 17 -7.022 4.696 -2.206 1.00 0.00 N ATOM 266 CA SER A 17 -6.969 5.870 -3.063 1.00 0.00 C ATOM 267 C SER A 17 -8.069 5.849 -4.124 1.00 0.00 C ATOM 268 O SER A 17 -8.693 6.877 -4.389 1.00 0.00 O ATOM 269 CB SER A 17 -5.601 5.983 -3.734 1.00 0.00 C ATOM 270 OG SER A 17 -5.564 7.077 -4.634 1.00 0.00 O ATOM 0 H SER A 17 -6.253 4.039 -2.337 1.00 0.00 H new ATOM 0 HA SER A 17 -7.131 6.741 -2.428 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.829 6.106 -2.975 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.377 5.060 -4.269 1.00 0.00 H new ATOM 0 HG SER A 17 -4.678 7.129 -5.049 1.00 0.00 H new ATOM 276 N VAL A 18 -8.300 4.693 -4.750 1.00 0.00 N ATOM 277 CA VAL A 18 -9.319 4.604 -5.793 1.00 0.00 C ATOM 278 C VAL A 18 -10.615 3.960 -5.316 1.00 0.00 C ATOM 279 O VAL A 18 -11.699 4.454 -5.618 1.00 0.00 O ATOM 280 CB VAL A 18 -8.821 3.811 -7.004 1.00 0.00 C ATOM 281 CG1 VAL A 18 -8.053 4.703 -7.952 1.00 0.00 C ATOM 282 CG2 VAL A 18 -7.983 2.623 -6.576 1.00 0.00 C ATOM 0 H VAL A 18 -7.805 3.822 -4.557 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.522 5.638 -6.070 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.693 3.427 -7.533 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.709 4.117 -8.805 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.701 5.506 -8.301 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.194 5.129 -7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.644 2.080 -7.458 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.119 2.972 -6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.582 1.961 -5.951 1.00 0.00 H new ATOM 292 N ILE A 19 -10.506 2.843 -4.602 1.00 0.00 N ATOM 293 CA ILE A 19 -11.684 2.123 -4.118 1.00 0.00 C ATOM 294 C ILE A 19 -12.784 3.076 -3.656 1.00 0.00 C ATOM 295 O ILE A 19 -13.967 2.778 -3.794 1.00 0.00 O ATOM 296 CB ILE A 19 -11.334 1.156 -2.969 1.00 0.00 C ATOM 297 CG1 ILE A 19 -12.562 0.332 -2.579 1.00 0.00 C ATOM 298 CG2 ILE A 19 -10.797 1.918 -1.767 1.00 0.00 C ATOM 299 CD1 ILE A 19 -12.220 -0.983 -1.912 1.00 0.00 C ATOM 0 H ILE A 19 -9.616 2.416 -4.345 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.053 1.545 -4.965 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.554 0.477 -3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.186 0.920 -1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.155 0.134 -3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.557 1.216 -0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.898 2.463 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -11.551 2.622 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.139 -1.514 -1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.622 -1.591 -2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.653 -0.792 -1.001 1.00 0.00 H new ATOM 311 N GLY A 20 -12.388 4.224 -3.116 1.00 0.00 N ATOM 312 CA GLY A 20 -13.362 5.195 -2.653 1.00 0.00 C ATOM 313 C GLY A 20 -14.091 5.881 -3.795 1.00 0.00 C ATOM 314 O GLY A 20 -15.280 6.176 -3.686 1.00 0.00 O ATOM 0 H GLY A 20 -11.414 4.499 -2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.088 4.698 -2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.859 5.946 -2.044 1.00 0.00 H new ATOM 318 N ASP A 21 -13.386 6.118 -4.900 1.00 0.00 N ATOM 319 CA ASP A 21 -13.991 6.752 -6.069 1.00 0.00 C ATOM 320 C ASP A 21 -14.612 5.696 -6.973 1.00 0.00 C ATOM 321 O ASP A 21 -15.303 6.014 -7.941 1.00 0.00 O ATOM 322 CB ASP A 21 -12.949 7.561 -6.842 1.00 0.00 C ATOM 323 CG ASP A 21 -13.577 8.473 -7.878 1.00 0.00 C ATOM 324 OD1 ASP A 21 -13.794 8.013 -9.020 1.00 0.00 O ATOM 325 OD2 ASP A 21 -13.853 9.645 -7.549 1.00 0.00 O ATOM 0 H ASP A 21 -12.400 5.882 -5.010 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.772 7.432 -5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.365 8.159 -6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.256 6.879 -7.335 1.00 0.00 H new ATOM 330 N TYR A 22 -14.368 4.436 -6.635 1.00 0.00 N ATOM 331 CA TYR A 22 -14.900 3.319 -7.388 1.00 0.00 C ATOM 332 C TYR A 22 -16.129 2.762 -6.693 1.00 0.00 C ATOM 333 O TYR A 22 -17.139 2.467 -7.319 1.00 0.00 O ATOM 334 CB TYR A 22 -13.846 2.235 -7.508 1.00 0.00 C ATOM 335 CG TYR A 22 -12.896 2.441 -8.654 1.00 0.00 C ATOM 336 CD1 TYR A 22 -13.355 2.638 -9.950 1.00 0.00 C ATOM 337 CD2 TYR A 22 -11.538 2.448 -8.431 1.00 0.00 C ATOM 338 CE1 TYR A 22 -12.470 2.833 -10.993 1.00 0.00 C ATOM 339 CE2 TYR A 22 -10.648 2.644 -9.459 1.00 0.00 C ATOM 340 CZ TYR A 22 -11.115 2.836 -10.742 1.00 0.00 C ATOM 341 OH TYR A 22 -10.226 3.034 -11.774 1.00 0.00 O ATOM 0 H TYR A 22 -13.798 4.166 -5.834 1.00 0.00 H new ATOM 0 HA TYR A 22 -15.180 3.663 -8.384 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -13.277 2.189 -6.579 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -14.341 1.271 -7.626 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -14.417 2.639 -10.145 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -11.165 2.297 -7.429 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -12.837 2.982 -11.998 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -9.586 2.648 -9.263 1.00 0.00 H new ATOM 0 HH TYR A 22 -9.310 3.008 -11.426 1.00 0.00 H new ATOM 351 N LEU A 23 -16.032 2.631 -5.385 1.00 0.00 N ATOM 352 CA LEU A 23 -17.139 2.125 -4.585 1.00 0.00 C ATOM 353 C LEU A 23 -18.249 3.168 -4.495 1.00 0.00 C ATOM 354 O LEU A 23 -19.411 2.847 -4.246 1.00 0.00 O ATOM 355 CB LEU A 23 -16.646 1.785 -3.182 1.00 0.00 C ATOM 356 CG LEU A 23 -16.232 0.332 -2.983 1.00 0.00 C ATOM 357 CD1 LEU A 23 -15.508 0.166 -1.662 1.00 0.00 C ATOM 358 CD2 LEU A 23 -17.445 -0.575 -3.048 1.00 0.00 C ATOM 0 H LEU A 23 -15.197 2.868 -4.849 1.00 0.00 H new ATOM 0 HA LEU A 23 -17.534 1.228 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -15.796 2.425 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -17.434 2.024 -2.468 1.00 0.00 H new ATOM 0 HG LEU A 23 -15.550 0.050 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -15.219 -0.877 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.617 0.793 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -16.167 0.462 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -17.134 -1.610 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -18.150 -0.296 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -17.924 -0.472 -4.022 1.00 0.00 H new ATOM 370 N ALA A 24 -17.856 4.419 -4.672 1.00 0.00 N ATOM 371 CA ALA A 24 -18.768 5.552 -4.591 1.00 0.00 C ATOM 372 C ALA A 24 -19.595 5.758 -5.862 1.00 0.00 C ATOM 373 O ALA A 24 -20.605 6.462 -5.840 1.00 0.00 O ATOM 374 CB ALA A 24 -17.954 6.798 -4.306 1.00 0.00 C ATOM 0 H ALA A 24 -16.891 4.680 -4.877 1.00 0.00 H new ATOM 0 HA ALA A 24 -19.481 5.347 -3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.618 7.660 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -17.423 6.678 -3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -17.234 6.954 -5.110 1.00 0.00 H new ATOM 380 N ARG A 25 -19.155 5.179 -6.973 1.00 0.00 N ATOM 381 CA ARG A 25 -19.856 5.348 -8.245 1.00 0.00 C ATOM 382 C ARG A 25 -21.159 4.555 -8.316 1.00 0.00 C ATOM 383 O ARG A 25 -22.172 5.060 -8.799 1.00 0.00 O ATOM 384 CB ARG A 25 -18.953 4.941 -9.407 1.00 0.00 C ATOM 385 CG ARG A 25 -18.516 3.484 -9.369 1.00 0.00 C ATOM 386 CD ARG A 25 -17.091 3.333 -9.873 1.00 0.00 C ATOM 387 NE ARG A 25 -17.033 3.256 -11.333 1.00 0.00 N ATOM 388 CZ ARG A 25 -16.440 2.273 -12.011 1.00 0.00 C ATOM 389 NH1 ARG A 25 -15.841 1.273 -11.374 1.00 0.00 N ATOM 390 NH2 ARG A 25 -16.445 2.291 -13.337 1.00 0.00 N ATOM 0 H ARG A 25 -18.322 4.592 -7.022 1.00 0.00 H new ATOM 0 HA ARG A 25 -20.111 6.405 -8.318 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -19.477 5.128 -10.344 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -18.067 5.576 -9.405 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -18.588 3.105 -8.350 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -19.188 2.882 -9.981 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -16.493 4.178 -9.530 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -16.648 2.434 -9.444 1.00 0.00 H new ATOM 0 HE ARG A 25 -17.475 4.004 -11.867 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -15.831 1.251 -10.354 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -15.391 0.527 -11.905 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -16.902 3.055 -13.835 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.992 1.541 -13.859 1.00 0.00 H new ATOM 404 N PHE A 26 -21.125 3.308 -7.868 1.00 0.00 N ATOM 405 CA PHE A 26 -22.304 2.451 -7.921 1.00 0.00 C ATOM 406 C PHE A 26 -22.775 2.060 -6.523 1.00 0.00 C ATOM 407 O PHE A 26 -23.437 1.037 -6.346 1.00 0.00 O ATOM 408 CB PHE A 26 -21.972 1.204 -8.750 1.00 0.00 C ATOM 409 CG PHE A 26 -23.057 0.165 -8.798 1.00 0.00 C ATOM 410 CD1 PHE A 26 -24.393 0.526 -8.856 1.00 0.00 C ATOM 411 CD2 PHE A 26 -22.730 -1.181 -8.790 1.00 0.00 C ATOM 412 CE1 PHE A 26 -25.383 -0.439 -8.906 1.00 0.00 C ATOM 413 CE2 PHE A 26 -23.712 -2.150 -8.838 1.00 0.00 C ATOM 414 CZ PHE A 26 -25.041 -1.779 -8.896 1.00 0.00 C ATOM 0 H PHE A 26 -20.298 2.867 -7.465 1.00 0.00 H new ATOM 0 HA PHE A 26 -23.120 3.000 -8.390 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -21.742 1.515 -9.769 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -21.069 0.747 -8.345 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -24.665 1.571 -8.862 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -21.692 -1.477 -8.746 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -26.422 -0.146 -8.953 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -23.442 -3.196 -8.830 1.00 0.00 H new ATOM 0 HZ PHE A 26 -25.812 -2.534 -8.933 1.00 0.00 H new ATOM 424 N LYS A 27 -22.430 2.873 -5.525 1.00 0.00 N ATOM 425 CA LYS A 27 -22.823 2.589 -4.148 1.00 0.00 C ATOM 426 C LYS A 27 -22.520 1.133 -3.819 1.00 0.00 C ATOM 427 O LYS A 27 -23.427 0.340 -3.567 1.00 0.00 O ATOM 428 CB LYS A 27 -24.313 2.879 -3.946 1.00 0.00 C ATOM 429 CG LYS A 27 -24.646 3.420 -2.565 1.00 0.00 C ATOM 430 CD LYS A 27 -24.423 2.372 -1.488 1.00 0.00 C ATOM 431 CE LYS A 27 -23.036 2.489 -0.877 1.00 0.00 C ATOM 432 NZ LYS A 27 -22.845 3.789 -0.177 1.00 0.00 N ATOM 0 H LYS A 27 -21.884 3.726 -5.644 1.00 0.00 H new ATOM 0 HA LYS A 27 -22.254 3.233 -3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.640 3.598 -4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.879 1.963 -4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.029 4.294 -2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -25.684 3.750 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.176 2.484 -0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -24.551 1.377 -1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -22.879 1.671 -0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -22.285 2.384 -1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -22.163 3.669 0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -22.484 4.496 -0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -23.755 4.112 0.209 1.00 0.00 H new ATOM 446 N ASN A 28 -21.230 0.799 -3.863 1.00 0.00 N ATOM 447 CA ASN A 28 -20.743 -0.558 -3.613 1.00 0.00 C ATOM 448 C ASN A 28 -20.345 -1.213 -4.933 1.00 0.00 C ATOM 449 O ASN A 28 -20.691 -2.364 -5.200 1.00 0.00 O ATOM 450 CB ASN A 28 -21.782 -1.424 -2.887 1.00 0.00 C ATOM 451 CG ASN A 28 -21.165 -2.653 -2.250 1.00 0.00 C ATOM 452 OD1 ASN A 28 -20.495 -2.563 -1.222 1.00 0.00 O ATOM 453 ND2 ASN A 28 -21.387 -3.812 -2.860 1.00 0.00 N ATOM 0 H ASN A 28 -20.489 1.467 -4.075 1.00 0.00 H new ATOM 0 HA ASN A 28 -19.874 -0.482 -2.960 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -22.275 -0.828 -2.119 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -22.552 -1.732 -3.594 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -20.996 -4.673 -2.477 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -21.949 -3.841 -3.711 1.00 0.00 H new ATOM 460 N ASP A 29 -19.610 -0.462 -5.757 1.00 0.00 N ATOM 461 CA ASP A 29 -19.151 -0.955 -7.057 1.00 0.00 C ATOM 462 C ASP A 29 -17.978 -1.922 -6.905 1.00 0.00 C ATOM 463 O ASP A 29 -17.365 -2.317 -7.893 1.00 0.00 O ATOM 464 CB ASP A 29 -18.736 0.215 -7.950 1.00 0.00 C ATOM 465 CG ASP A 29 -19.021 -0.046 -9.417 1.00 0.00 C ATOM 466 OD1 ASP A 29 -19.747 -1.016 -9.718 1.00 0.00 O ATOM 467 OD2 ASP A 29 -18.516 0.720 -10.264 1.00 0.00 O ATOM 0 H ASP A 29 -19.320 0.493 -5.546 1.00 0.00 H new ATOM 0 HA ASP A 29 -19.981 -1.491 -7.518 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -19.265 1.114 -7.635 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.671 0.409 -7.819 1.00 0.00 H new ATOM 472 N ARG A 30 -17.673 -2.281 -5.659 1.00 0.00 N ATOM 473 CA ARG A 30 -16.571 -3.198 -5.327 1.00 0.00 C ATOM 474 C ARG A 30 -16.137 -4.049 -6.519 1.00 0.00 C ATOM 475 O ARG A 30 -14.964 -4.047 -6.894 1.00 0.00 O ATOM 476 CB ARG A 30 -16.982 -4.112 -4.169 1.00 0.00 C ATOM 477 CG ARG A 30 -15.890 -5.079 -3.737 1.00 0.00 C ATOM 478 CD ARG A 30 -14.604 -4.348 -3.382 1.00 0.00 C ATOM 479 NE ARG A 30 -14.104 -4.727 -2.063 1.00 0.00 N ATOM 480 CZ ARG A 30 -13.669 -5.947 -1.756 1.00 0.00 C ATOM 481 NH1 ARG A 30 -13.676 -6.910 -2.670 1.00 0.00 N ATOM 482 NH2 ARG A 30 -13.228 -6.206 -0.533 1.00 0.00 N ATOM 0 H ARG A 30 -18.184 -1.945 -4.843 1.00 0.00 H new ATOM 0 HA ARG A 30 -15.720 -2.582 -5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -17.269 -3.497 -3.316 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -17.864 -4.681 -4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -16.232 -5.654 -2.876 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -15.695 -5.791 -4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.845 -4.565 -4.133 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.780 -3.273 -3.408 1.00 0.00 H new ATOM 0 HE ARG A 30 -14.087 -4.014 -1.334 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.016 -6.716 -3.612 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.342 -7.843 -2.430 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.222 -5.470 0.173 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.895 -7.141 -0.298 1.00 0.00 H new ATOM 496 N VAL A 31 -17.083 -4.772 -7.116 1.00 0.00 N ATOM 497 CA VAL A 31 -16.781 -5.619 -8.268 1.00 0.00 C ATOM 498 C VAL A 31 -15.957 -4.848 -9.295 1.00 0.00 C ATOM 499 O VAL A 31 -14.855 -5.259 -9.659 1.00 0.00 O ATOM 500 CB VAL A 31 -18.065 -6.150 -8.938 1.00 0.00 C ATOM 501 CG1 VAL A 31 -17.731 -6.972 -10.175 1.00 0.00 C ATOM 502 CG2 VAL A 31 -18.876 -6.975 -7.951 1.00 0.00 C ATOM 0 H VAL A 31 -18.060 -4.788 -6.823 1.00 0.00 H new ATOM 0 HA VAL A 31 -16.207 -6.470 -7.901 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.665 -5.296 -9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -18.652 -7.336 -10.630 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.194 -6.350 -10.891 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -17.108 -7.820 -9.891 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.779 -7.342 -8.439 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -18.280 -7.820 -7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -19.152 -6.355 -7.098 1.00 0.00 H new ATOM 512 N LYS A 32 -16.494 -3.720 -9.744 1.00 0.00 N ATOM 513 CA LYS A 32 -15.803 -2.880 -10.712 1.00 0.00 C ATOM 514 C LYS A 32 -14.656 -2.123 -10.045 1.00 0.00 C ATOM 515 O LYS A 32 -13.696 -1.726 -10.707 1.00 0.00 O ATOM 516 CB LYS A 32 -16.779 -1.892 -11.352 1.00 0.00 C ATOM 517 CG LYS A 32 -17.906 -2.561 -12.123 1.00 0.00 C ATOM 518 CD LYS A 32 -17.784 -2.316 -13.619 1.00 0.00 C ATOM 519 CE LYS A 32 -18.683 -3.251 -14.412 1.00 0.00 C ATOM 520 NZ LYS A 32 -17.920 -4.387 -15.000 1.00 0.00 N ATOM 0 H LYS A 32 -17.406 -3.367 -9.453 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.391 -3.523 -11.490 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -17.208 -1.262 -10.573 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -16.229 -1.236 -12.026 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -17.895 -3.633 -11.927 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -18.865 -2.182 -11.769 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -18.046 -1.282 -13.842 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -16.748 -2.456 -13.928 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -19.468 -3.638 -13.762 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -19.175 -2.693 -15.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -18.568 -5.002 -15.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -17.187 -4.019 -15.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -17.471 -4.935 -14.238 1.00 0.00 H new ATOM 534 N ALA A 33 -14.759 -1.925 -8.730 1.00 0.00 N ATOM 535 CA ALA A 33 -13.728 -1.218 -7.981 1.00 0.00 C ATOM 536 C ALA A 33 -12.442 -2.033 -7.917 1.00 0.00 C ATOM 537 O ALA A 33 -11.395 -1.599 -8.398 1.00 0.00 O ATOM 538 CB ALA A 33 -14.221 -0.902 -6.577 1.00 0.00 C ATOM 0 H ALA A 33 -15.546 -2.245 -8.165 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.512 -0.284 -8.500 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.441 -0.374 -6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.111 -0.276 -6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.464 -1.830 -6.059 1.00 0.00 H new ATOM 544 N LEU A 34 -12.530 -3.216 -7.319 1.00 0.00 N ATOM 545 CA LEU A 34 -11.374 -4.095 -7.190 1.00 0.00 C ATOM 546 C LEU A 34 -10.777 -4.420 -8.556 1.00 0.00 C ATOM 547 O LEU A 34 -9.581 -4.684 -8.673 1.00 0.00 O ATOM 548 CB LEU A 34 -11.767 -5.387 -6.472 1.00 0.00 C ATOM 549 CG LEU A 34 -10.698 -5.959 -5.540 1.00 0.00 C ATOM 550 CD1 LEU A 34 -11.342 -6.646 -4.346 1.00 0.00 C ATOM 551 CD2 LEU A 34 -9.799 -6.928 -6.294 1.00 0.00 C ATOM 0 H LEU A 34 -13.390 -3.588 -6.916 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.619 -3.574 -6.601 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.672 -5.202 -5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.016 -6.140 -7.220 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.085 -5.136 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.566 -7.047 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -11.944 -5.925 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.979 -7.459 -4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.044 -7.326 -5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.399 -7.747 -6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.310 -6.406 -7.116 1.00 0.00 H new ATOM 563 N LYS A 35 -11.617 -4.400 -9.587 1.00 0.00 N ATOM 564 CA LYS A 35 -11.163 -4.696 -10.941 1.00 0.00 C ATOM 565 C LYS A 35 -10.583 -3.455 -11.604 1.00 0.00 C ATOM 566 O LYS A 35 -9.466 -3.490 -12.121 1.00 0.00 O ATOM 567 CB LYS A 35 -12.308 -5.279 -11.774 1.00 0.00 C ATOM 568 CG LYS A 35 -12.115 -6.745 -12.152 1.00 0.00 C ATOM 569 CD LYS A 35 -11.458 -7.549 -11.035 1.00 0.00 C ATOM 570 CE LYS A 35 -12.361 -7.655 -9.817 1.00 0.00 C ATOM 571 NZ LYS A 35 -12.000 -8.817 -8.958 1.00 0.00 N ATOM 0 H LYS A 35 -12.611 -4.183 -9.511 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.370 -5.442 -10.881 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.239 -5.178 -11.215 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.417 -4.691 -12.685 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.082 -7.186 -12.394 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.502 -6.808 -13.051 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.217 -8.548 -11.398 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.517 -7.077 -10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.293 -6.737 -9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.397 -7.751 -10.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.639 -8.854 -8.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.089 -9.696 -9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.019 -8.713 -8.628 1.00 0.00 H new ATOM 585 N ALA A 36 -11.321 -2.348 -11.564 1.00 0.00 N ATOM 586 CA ALA A 36 -10.831 -1.101 -12.142 1.00 0.00 C ATOM 587 C ALA A 36 -9.431 -0.809 -11.608 1.00 0.00 C ATOM 588 O ALA A 36 -8.613 -0.166 -12.266 1.00 0.00 O ATOM 589 CB ALA A 36 -11.777 0.046 -11.818 1.00 0.00 C ATOM 0 H ALA A 36 -12.248 -2.289 -11.143 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.785 -1.203 -13.226 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.395 0.968 -12.257 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.764 -0.170 -12.228 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.851 0.163 -10.737 1.00 0.00 H new ATOM 595 N MET A 37 -9.175 -1.313 -10.404 1.00 0.00 N ATOM 596 CA MET A 37 -7.895 -1.155 -9.737 1.00 0.00 C ATOM 597 C MET A 37 -6.932 -2.267 -10.161 1.00 0.00 C ATOM 598 O MET A 37 -5.799 -2.001 -10.567 1.00 0.00 O ATOM 599 CB MET A 37 -8.118 -1.192 -8.222 1.00 0.00 C ATOM 600 CG MET A 37 -6.945 -0.695 -7.394 1.00 0.00 C ATOM 601 SD MET A 37 -6.564 -1.795 -6.014 1.00 0.00 S ATOM 602 CE MET A 37 -4.918 -1.247 -5.581 1.00 0.00 C ATOM 0 H MET A 37 -9.857 -1.845 -9.864 1.00 0.00 H new ATOM 0 HA MET A 37 -7.452 -0.199 -10.018 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.995 -0.590 -7.983 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.345 -2.216 -7.927 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.067 -0.600 -8.033 1.00 0.00 H new ATOM 0 HG3 MET A 37 -7.170 0.300 -7.011 1.00 0.00 H new ATOM 0 HE1 MET A 37 -4.835 -1.164 -4.497 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.187 -1.968 -5.947 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.727 -0.274 -6.035 1.00 0.00 H new ATOM 612 N GLU A 38 -7.393 -3.517 -10.072 1.00 0.00 N ATOM 613 CA GLU A 38 -6.570 -4.662 -10.446 1.00 0.00 C ATOM 614 C GLU A 38 -6.206 -4.624 -11.927 1.00 0.00 C ATOM 615 O GLU A 38 -5.029 -4.589 -12.286 1.00 0.00 O ATOM 616 CB GLU A 38 -7.299 -5.968 -10.123 1.00 0.00 C ATOM 617 CG GLU A 38 -6.393 -7.188 -10.135 1.00 0.00 C ATOM 618 CD GLU A 38 -7.070 -8.412 -10.720 1.00 0.00 C ATOM 619 OE1 GLU A 38 -7.310 -8.429 -11.946 1.00 0.00 O ATOM 620 OE2 GLU A 38 -7.361 -9.354 -9.953 1.00 0.00 O ATOM 0 H GLU A 38 -8.329 -3.758 -9.745 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.648 -4.612 -9.867 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.765 -5.881 -9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.102 -6.115 -10.845 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.495 -6.964 -10.711 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.071 -7.407 -9.117 1.00 0.00 H new ATOM 627 N MET A 39 -7.223 -4.638 -12.784 1.00 0.00 N ATOM 628 CA MET A 39 -7.008 -4.611 -14.228 1.00 0.00 C ATOM 629 C MET A 39 -6.144 -3.422 -14.637 1.00 0.00 C ATOM 630 O MET A 39 -5.422 -3.482 -15.631 1.00 0.00 O ATOM 631 CB MET A 39 -8.347 -4.555 -14.964 1.00 0.00 C ATOM 632 CG MET A 39 -9.388 -5.516 -14.411 1.00 0.00 C ATOM 633 SD MET A 39 -10.026 -6.651 -15.660 1.00 0.00 S ATOM 634 CE MET A 39 -8.500 -7.259 -16.375 1.00 0.00 C ATOM 0 H MET A 39 -8.203 -4.668 -12.504 1.00 0.00 H new ATOM 0 HA MET A 39 -6.484 -5.526 -14.503 1.00 0.00 H new ATOM 0 HB2 MET A 39 -8.739 -3.539 -14.911 1.00 0.00 H new ATOM 0 HB3 MET A 39 -8.182 -4.779 -16.018 1.00 0.00 H new ATOM 0 HG2 MET A 39 -8.949 -6.090 -13.595 1.00 0.00 H new ATOM 0 HG3 MET A 39 -10.215 -4.945 -13.989 1.00 0.00 H new ATOM 0 HE1 MET A 39 -8.637 -8.289 -16.704 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.226 -6.639 -17.228 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.707 -7.219 -15.628 1.00 0.00 H new ATOM 644 N THR A 40 -6.224 -2.341 -13.868 1.00 0.00 N ATOM 645 CA THR A 40 -5.447 -1.141 -14.160 1.00 0.00 C ATOM 646 C THR A 40 -4.112 -1.142 -13.413 1.00 0.00 C ATOM 647 O THR A 40 -3.315 -0.215 -13.557 1.00 0.00 O ATOM 648 CB THR A 40 -6.247 0.109 -13.792 1.00 0.00 C ATOM 649 OG1 THR A 40 -7.494 0.122 -14.464 1.00 0.00 O ATOM 650 CG2 THR A 40 -5.531 1.398 -14.130 1.00 0.00 C ATOM 0 H THR A 40 -6.817 -2.271 -13.041 1.00 0.00 H new ATOM 0 HA THR A 40 -5.236 -1.135 -15.229 1.00 0.00 H new ATOM 0 HB THR A 40 -6.381 0.059 -12.711 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.197 -0.187 -13.855 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.153 2.246 -13.843 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.586 1.442 -13.589 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.337 1.436 -15.202 1.00 0.00 H new ATOM 658 N TRP A 41 -3.876 -2.174 -12.606 1.00 0.00 N ATOM 659 CA TRP A 41 -2.644 -2.271 -11.836 1.00 0.00 C ATOM 660 C TRP A 41 -1.618 -3.185 -12.517 1.00 0.00 C ATOM 661 O TRP A 41 -0.429 -2.870 -12.559 1.00 0.00 O ATOM 662 CB TRP A 41 -2.984 -2.761 -10.402 1.00 0.00 C ATOM 663 CG TRP A 41 -2.093 -3.851 -9.869 1.00 0.00 C ATOM 664 CD1 TRP A 41 -1.752 -5.004 -10.498 1.00 0.00 C ATOM 665 CD2 TRP A 41 -1.469 -3.910 -8.583 1.00 0.00 C ATOM 666 NE1 TRP A 41 -0.885 -5.724 -9.742 1.00 0.00 N ATOM 667 CE2 TRP A 41 -0.709 -5.092 -8.543 1.00 0.00 C ATOM 668 CE3 TRP A 41 -1.458 -3.071 -7.477 1.00 0.00 C ATOM 669 CZ2 TRP A 41 0.054 -5.452 -7.435 1.00 0.00 C ATOM 670 CZ3 TRP A 41 -0.711 -3.426 -6.374 1.00 0.00 C ATOM 671 CH2 TRP A 41 0.039 -4.608 -6.359 1.00 0.00 C ATOM 0 H TRP A 41 -4.522 -2.952 -12.470 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.182 -1.285 -11.778 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.935 -1.910 -9.723 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.014 -3.118 -10.392 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.120 -5.307 -11.467 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -0.437 -6.596 -10.023 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.027 -2.153 -7.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.635 -6.362 -7.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.704 -2.782 -5.507 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.617 -4.858 -5.481 1.00 0.00 H new ATOM 682 N ASN A 42 -2.076 -4.331 -13.013 1.00 0.00 N ATOM 683 CA ASN A 42 -1.186 -5.304 -13.650 1.00 0.00 C ATOM 684 C ASN A 42 -0.923 -4.935 -15.092 1.00 0.00 C ATOM 685 O ASN A 42 0.178 -5.122 -15.610 1.00 0.00 O ATOM 686 CB ASN A 42 -1.793 -6.707 -13.574 1.00 0.00 C ATOM 687 CG ASN A 42 -1.327 -7.474 -12.352 1.00 0.00 C ATOM 688 OD1 ASN A 42 -0.160 -7.850 -12.249 1.00 0.00 O ATOM 689 ND2 ASN A 42 -2.241 -7.710 -11.417 1.00 0.00 N ATOM 0 H ASN A 42 -3.057 -4.611 -12.987 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.237 -5.295 -13.114 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.880 -6.629 -13.558 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.527 -7.264 -14.472 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.986 -8.222 -10.572 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.198 -7.380 -11.544 1.00 0.00 H new ATOM 696 N ASN A 43 -1.943 -4.400 -15.728 1.00 0.00 N ATOM 697 CA ASN A 43 -1.836 -3.984 -17.119 1.00 0.00 C ATOM 698 C ASN A 43 -0.737 -2.945 -17.284 1.00 0.00 C ATOM 699 O ASN A 43 -0.205 -2.748 -18.377 1.00 0.00 O ATOM 700 CB ASN A 43 -3.166 -3.415 -17.614 1.00 0.00 C ATOM 701 CG ASN A 43 -3.390 -1.964 -17.220 1.00 0.00 C ATOM 702 OD1 ASN A 43 -3.115 -1.634 -15.965 1.00 0.00 O flip ATOM 703 ND2 ASN A 43 -3.809 -1.148 -18.040 1.00 0.00 N flip ATOM 0 H ASN A 43 -2.859 -4.241 -15.308 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.584 -4.861 -17.715 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.206 -3.498 -18.700 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.981 -4.021 -17.218 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.009 -1.442 -18.996 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.957 -0.177 -17.764 1.00 0.00 H new ATOM 710 N MET A 44 -0.417 -2.275 -16.188 1.00 0.00 N ATOM 711 CA MET A 44 0.603 -1.240 -16.195 1.00 0.00 C ATOM 712 C MET A 44 1.970 -1.773 -15.789 1.00 0.00 C ATOM 713 O MET A 44 2.982 -1.080 -15.879 1.00 0.00 O ATOM 714 CB MET A 44 0.191 -0.090 -15.287 1.00 0.00 C ATOM 715 CG MET A 44 1.210 1.034 -15.249 1.00 0.00 C ATOM 716 SD MET A 44 0.651 2.515 -16.114 1.00 0.00 S ATOM 717 CE MET A 44 1.557 2.372 -17.653 1.00 0.00 C ATOM 0 H MET A 44 -0.852 -2.431 -15.279 1.00 0.00 H new ATOM 0 HA MET A 44 0.691 -0.878 -17.219 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.766 0.307 -15.625 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.040 -0.469 -14.276 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.428 1.286 -14.211 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.142 0.688 -15.696 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.316 3.218 -18.297 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.627 2.366 -17.446 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.279 1.444 -18.154 1.00 0.00 H new ATOM 727 N GLU A 45 1.989 -3.010 -15.364 1.00 0.00 N ATOM 728 CA GLU A 45 3.225 -3.664 -14.956 1.00 0.00 C ATOM 729 C GLU A 45 3.907 -2.919 -13.801 1.00 0.00 C ATOM 730 O GLU A 45 3.268 -2.167 -13.064 1.00 0.00 O ATOM 731 CB GLU A 45 4.175 -3.768 -16.153 1.00 0.00 C ATOM 732 CG GLU A 45 4.893 -5.105 -16.244 1.00 0.00 C ATOM 733 CD GLU A 45 4.190 -6.084 -17.163 1.00 0.00 C ATOM 734 OE1 GLU A 45 4.104 -5.803 -18.377 1.00 0.00 O ATOM 735 OE2 GLU A 45 3.724 -7.133 -16.669 1.00 0.00 O ATOM 0 H GLU A 45 1.158 -3.597 -15.288 1.00 0.00 H new ATOM 0 HA GLU A 45 2.976 -4.664 -14.600 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.610 -3.605 -17.071 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.915 -2.971 -16.089 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.910 -4.943 -16.601 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.971 -5.540 -15.248 1.00 0.00 H new ATOM 742 N LYS A 46 5.208 -3.158 -13.648 1.00 0.00 N ATOM 743 CA LYS A 46 6.018 -2.552 -12.589 1.00 0.00 C ATOM 744 C LYS A 46 5.723 -1.067 -12.370 1.00 0.00 C ATOM 745 O LYS A 46 5.866 -0.561 -11.258 1.00 0.00 O ATOM 746 CB LYS A 46 7.496 -2.715 -12.930 1.00 0.00 C ATOM 747 CG LYS A 46 8.418 -2.609 -11.726 1.00 0.00 C ATOM 748 CD LYS A 46 9.552 -3.620 -11.800 1.00 0.00 C ATOM 749 CE LYS A 46 10.704 -3.108 -12.650 1.00 0.00 C ATOM 750 NZ LYS A 46 10.768 -3.795 -13.970 1.00 0.00 N ATOM 0 H LYS A 46 5.735 -3.782 -14.259 1.00 0.00 H new ATOM 0 HA LYS A 46 5.762 -3.070 -11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.645 -3.684 -13.406 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.777 -1.955 -13.659 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.831 -1.602 -11.670 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.845 -2.770 -10.813 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.911 -3.839 -10.794 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.179 -4.556 -12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.592 -2.035 -12.804 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.643 -3.257 -12.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.566 -3.418 -14.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.900 -4.816 -13.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.882 -3.631 -14.490 1.00 0.00 H new ATOM 764 N LYS A 47 5.334 -0.362 -13.425 1.00 0.00 N ATOM 765 CA LYS A 47 5.052 1.063 -13.323 1.00 0.00 C ATOM 766 C LYS A 47 4.097 1.352 -12.174 1.00 0.00 C ATOM 767 O LYS A 47 4.457 1.992 -11.188 1.00 0.00 O ATOM 768 CB LYS A 47 4.446 1.557 -14.632 1.00 0.00 C ATOM 769 CG LYS A 47 4.977 2.905 -15.085 1.00 0.00 C ATOM 770 CD LYS A 47 4.559 4.020 -14.139 1.00 0.00 C ATOM 771 CE LYS A 47 3.318 4.740 -14.640 1.00 0.00 C ATOM 772 NZ LYS A 47 2.747 5.648 -13.607 1.00 0.00 N ATOM 0 H LYS A 47 5.207 -0.753 -14.358 1.00 0.00 H new ATOM 0 HA LYS A 47 5.988 1.586 -13.128 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.640 0.820 -15.412 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.364 1.623 -14.518 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.065 2.867 -15.144 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.610 3.122 -16.088 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.366 3.606 -13.150 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.376 4.733 -14.032 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.567 5.316 -15.531 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.567 4.007 -14.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.277 6.451 -14.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.054 5.127 -13.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.510 6.001 -12.995 1.00 0.00 H new ATOM 786 N GLU A 48 2.877 0.872 -12.325 1.00 0.00 N ATOM 787 CA GLU A 48 1.838 1.064 -11.317 1.00 0.00 C ATOM 788 C GLU A 48 2.141 0.266 -10.053 1.00 0.00 C ATOM 789 O GLU A 48 2.568 0.813 -9.037 1.00 0.00 O ATOM 790 CB GLU A 48 0.483 0.628 -11.888 1.00 0.00 C ATOM 791 CG GLU A 48 -0.479 1.778 -12.165 1.00 0.00 C ATOM 792 CD GLU A 48 0.114 2.878 -13.027 1.00 0.00 C ATOM 793 OE1 GLU A 48 1.346 3.078 -12.982 1.00 0.00 O ATOM 794 OE2 GLU A 48 -0.659 3.546 -13.745 1.00 0.00 O ATOM 0 H GLU A 48 2.574 0.341 -13.142 1.00 0.00 H new ATOM 0 HA GLU A 48 1.808 2.121 -11.054 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.652 0.079 -12.815 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.013 -0.064 -11.189 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.369 1.385 -12.656 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.801 2.207 -11.216 1.00 0.00 H new ATOM 801 N LYS A 49 1.896 -1.034 -10.142 1.00 0.00 N ATOM 802 CA LYS A 49 2.103 -1.976 -9.042 1.00 0.00 C ATOM 803 C LYS A 49 3.248 -1.576 -8.103 1.00 0.00 C ATOM 804 O LYS A 49 3.021 -1.164 -6.963 1.00 0.00 O ATOM 805 CB LYS A 49 2.370 -3.365 -9.629 1.00 0.00 C ATOM 806 CG LYS A 49 1.354 -3.771 -10.690 1.00 0.00 C ATOM 807 CD LYS A 49 1.403 -5.259 -10.994 1.00 0.00 C ATOM 808 CE LYS A 49 2.473 -5.591 -12.009 1.00 0.00 C ATOM 809 NZ LYS A 49 2.038 -6.661 -12.951 1.00 0.00 N ATOM 0 H LYS A 49 1.542 -1.474 -10.992 1.00 0.00 H new ATOM 0 HA LYS A 49 1.198 -1.973 -8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.369 -3.383 -10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.360 -4.101 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.353 -3.504 -10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.542 -3.209 -11.605 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.591 -5.812 -10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.433 -5.585 -11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.728 -4.694 -12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.377 -5.910 -11.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.856 -7.247 -13.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.319 -7.256 -12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.635 -6.228 -13.806 1.00 0.00 H new ATOM 823 N LEU A 50 4.473 -1.735 -8.581 1.00 0.00 N ATOM 824 CA LEU A 50 5.665 -1.433 -7.792 1.00 0.00 C ATOM 825 C LEU A 50 5.623 -0.049 -7.147 1.00 0.00 C ATOM 826 O LEU A 50 5.786 0.080 -5.936 1.00 0.00 O ATOM 827 CB LEU A 50 6.914 -1.553 -8.668 1.00 0.00 C ATOM 828 CG LEU A 50 7.938 -2.585 -8.195 1.00 0.00 C ATOM 829 CD1 LEU A 50 8.456 -2.227 -6.811 1.00 0.00 C ATOM 830 CD2 LEU A 50 7.327 -3.978 -8.196 1.00 0.00 C ATOM 0 H LEU A 50 4.672 -2.075 -9.522 1.00 0.00 H new ATOM 0 HA LEU A 50 5.697 -2.162 -6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.605 -1.808 -9.682 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.399 -0.578 -8.718 1.00 0.00 H new ATOM 0 HG LEU A 50 8.780 -2.579 -8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.184 -2.973 -6.491 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.931 -1.246 -6.843 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.625 -2.205 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.069 -4.701 -7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.467 -3.999 -7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.006 -4.234 -9.206 1.00 0.00 H new ATOM 842 N MET A 51 5.442 0.985 -7.956 1.00 0.00 N ATOM 843 CA MET A 51 5.429 2.355 -7.437 1.00 0.00 C ATOM 844 C MET A 51 4.331 2.573 -6.398 1.00 0.00 C ATOM 845 O MET A 51 4.479 3.403 -5.495 1.00 0.00 O ATOM 846 CB MET A 51 5.281 3.368 -8.567 1.00 0.00 C ATOM 847 CG MET A 51 6.349 3.243 -9.643 1.00 0.00 C ATOM 848 SD MET A 51 6.097 4.393 -11.009 1.00 0.00 S ATOM 849 CE MET A 51 6.266 5.963 -10.165 1.00 0.00 C ATOM 0 H MET A 51 5.303 0.909 -8.964 1.00 0.00 H new ATOM 0 HA MET A 51 6.389 2.507 -6.943 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.300 3.247 -9.026 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.315 4.374 -8.148 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.329 3.421 -9.199 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.354 2.223 -10.028 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.455 6.750 -10.895 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.347 6.185 -9.622 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.098 5.911 -9.463 1.00 0.00 H new ATOM 859 N TRP A 52 3.244 1.817 -6.498 1.00 0.00 N ATOM 860 CA TRP A 52 2.161 1.943 -5.531 1.00 0.00 C ATOM 861 C TRP A 52 2.679 1.517 -4.179 1.00 0.00 C ATOM 862 O TRP A 52 2.305 2.063 -3.141 1.00 0.00 O ATOM 863 CB TRP A 52 0.966 1.079 -5.922 1.00 0.00 C ATOM 864 CG TRP A 52 0.281 1.531 -7.172 1.00 0.00 C ATOM 865 CD1 TRP A 52 0.705 2.492 -8.043 1.00 0.00 C ATOM 866 CD2 TRP A 52 -0.954 1.034 -7.691 1.00 0.00 C ATOM 867 NE1 TRP A 52 -0.187 2.616 -9.078 1.00 0.00 N ATOM 868 CE2 TRP A 52 -1.217 1.729 -8.884 1.00 0.00 C ATOM 869 CE3 TRP A 52 -1.860 0.066 -7.263 1.00 0.00 C ATOM 870 CZ2 TRP A 52 -2.353 1.478 -9.654 1.00 0.00 C ATOM 871 CZ3 TRP A 52 -2.984 -0.180 -8.026 1.00 0.00 C ATOM 872 CH2 TRP A 52 -3.222 0.521 -9.209 1.00 0.00 C ATOM 0 H TRP A 52 3.090 1.121 -7.227 1.00 0.00 H new ATOM 0 HA TRP A 52 1.825 2.980 -5.504 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.300 0.050 -6.053 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.246 1.078 -5.104 1.00 0.00 H new ATOM 0 HD1 TRP A 52 1.610 3.070 -7.934 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.099 3.261 -9.863 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -1.686 -0.483 -6.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -2.539 2.020 -10.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.692 -0.928 -7.702 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -4.110 0.303 -9.784 1.00 0.00 H new ATOM 883 N ILE A 53 3.571 0.540 -4.219 1.00 0.00 N ATOM 884 CA ILE A 53 4.195 0.021 -3.027 1.00 0.00 C ATOM 885 C ILE A 53 4.797 1.154 -2.204 1.00 0.00 C ATOM 886 O ILE A 53 4.370 1.420 -1.087 1.00 0.00 O ATOM 887 CB ILE A 53 5.300 -0.990 -3.393 1.00 0.00 C ATOM 888 CG1 ILE A 53 4.740 -2.096 -4.292 1.00 0.00 C ATOM 889 CG2 ILE A 53 5.917 -1.585 -2.146 1.00 0.00 C ATOM 890 CD1 ILE A 53 5.772 -3.125 -4.700 1.00 0.00 C ATOM 0 H ILE A 53 3.878 0.089 -5.081 1.00 0.00 H new ATOM 0 HA ILE A 53 3.430 -0.483 -2.437 1.00 0.00 H new ATOM 0 HB ILE A 53 6.079 -0.459 -3.941 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.925 -2.598 -3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.315 -1.644 -5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.694 -2.295 -2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.354 -0.790 -1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.148 -2.099 -1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.304 -3.877 -5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.576 -2.636 -5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.179 -3.604 -3.810 1.00 0.00 H new ATOM 902 N LYS A 54 5.791 1.813 -2.782 1.00 0.00 N ATOM 903 CA LYS A 54 6.492 2.919 -2.138 1.00 0.00 C ATOM 904 C LYS A 54 5.566 4.011 -1.642 1.00 0.00 C ATOM 905 O LYS A 54 5.880 4.673 -0.657 1.00 0.00 O ATOM 906 CB LYS A 54 7.504 3.505 -3.116 1.00 0.00 C ATOM 907 CG LYS A 54 8.847 3.840 -2.486 1.00 0.00 C ATOM 908 CD LYS A 54 9.842 4.333 -3.525 1.00 0.00 C ATOM 909 CE LYS A 54 10.628 3.183 -4.135 1.00 0.00 C ATOM 910 NZ LYS A 54 10.088 2.784 -5.464 1.00 0.00 N ATOM 0 H LYS A 54 6.137 1.596 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 54 6.991 2.514 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.662 2.796 -3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.086 4.409 -3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.711 4.604 -1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.247 2.957 -1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.312 4.870 -4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.530 5.041 -3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.673 3.473 -4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.601 2.327 -3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.152 1.751 -5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.093 3.079 -5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.641 3.243 -6.216 1.00 0.00 H new ATOM 924 N LYS A 55 4.431 4.214 -2.290 1.00 0.00 N ATOM 925 CA LYS A 55 3.523 5.240 -1.836 1.00 0.00 C ATOM 926 C LYS A 55 3.042 4.890 -0.429 1.00 0.00 C ATOM 927 O LYS A 55 3.193 5.679 0.506 1.00 0.00 O ATOM 928 CB LYS A 55 2.362 5.378 -2.808 1.00 0.00 C ATOM 929 CG LYS A 55 1.987 6.820 -3.129 1.00 0.00 C ATOM 930 CD LYS A 55 1.807 7.657 -1.870 1.00 0.00 C ATOM 931 CE LYS A 55 0.388 8.191 -1.753 1.00 0.00 C ATOM 932 NZ LYS A 55 -0.061 8.275 -0.336 1.00 0.00 N ATOM 0 H LYS A 55 4.126 3.693 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 55 4.033 6.203 -1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.616 4.865 -3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.491 4.872 -2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.762 7.266 -3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.064 6.834 -3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.043 7.053 -0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.510 8.490 -1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.334 9.179 -2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.290 7.545 -2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.982 7.803 -0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.636 7.807 0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.151 9.273 -0.059 1.00 0.00 H new ATOM 946 N ALA A 56 2.511 3.680 -0.269 1.00 0.00 N ATOM 947 CA ALA A 56 2.066 3.228 1.041 1.00 0.00 C ATOM 948 C ALA A 56 3.241 2.668 1.839 1.00 0.00 C ATOM 949 O ALA A 56 3.186 2.586 3.064 1.00 0.00 O ATOM 950 CB ALA A 56 0.967 2.193 0.931 1.00 0.00 C ATOM 0 H ALA A 56 2.381 3.004 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 56 1.658 4.092 1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.661 1.880 1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.113 2.623 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.335 1.330 0.377 1.00 0.00 H new ATOM 956 N ALA A 57 4.319 2.316 1.137 1.00 0.00 N ATOM 957 CA ALA A 57 5.520 1.809 1.791 1.00 0.00 C ATOM 958 C ALA A 57 6.183 2.972 2.480 1.00 0.00 C ATOM 959 O ALA A 57 6.674 2.864 3.604 1.00 0.00 O ATOM 960 CB ALA A 57 6.484 1.170 0.802 1.00 0.00 C ATOM 0 H ALA A 57 4.383 2.373 0.121 1.00 0.00 H new ATOM 0 HA ALA A 57 5.242 1.031 2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.363 0.807 1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.992 0.336 0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.788 1.909 0.061 1.00 0.00 H new ATOM 966 N GLU A 58 6.119 4.114 1.808 1.00 0.00 N ATOM 967 CA GLU A 58 6.634 5.342 2.359 1.00 0.00 C ATOM 968 C GLU A 58 5.742 5.697 3.533 1.00 0.00 C ATOM 969 O GLU A 58 6.168 6.293 4.522 1.00 0.00 O ATOM 970 CB GLU A 58 6.597 6.435 1.293 1.00 0.00 C ATOM 971 CG GLU A 58 6.524 7.840 1.854 1.00 0.00 C ATOM 972 CD GLU A 58 7.600 8.118 2.886 1.00 0.00 C ATOM 973 OE1 GLU A 58 8.751 7.682 2.676 1.00 0.00 O ATOM 974 OE2 GLU A 58 7.290 8.771 3.904 1.00 0.00 O ATOM 0 H GLU A 58 5.712 4.206 0.877 1.00 0.00 H new ATOM 0 HA GLU A 58 7.669 5.238 2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.486 6.350 0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.736 6.268 0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.616 8.557 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.545 7.995 2.306 1.00 0.00 H new ATOM 981 N ASP A 59 4.488 5.281 3.392 1.00 0.00 N ATOM 982 CA ASP A 59 3.469 5.493 4.414 1.00 0.00 C ATOM 983 C ASP A 59 3.621 4.475 5.545 1.00 0.00 C ATOM 984 O ASP A 59 3.232 4.733 6.684 1.00 0.00 O ATOM 985 CB ASP A 59 2.085 5.359 3.787 1.00 0.00 C ATOM 986 CG ASP A 59 1.736 6.537 2.899 1.00 0.00 C ATOM 987 OD1 ASP A 59 2.668 7.182 2.376 1.00 0.00 O ATOM 988 OD2 ASP A 59 0.531 6.817 2.732 1.00 0.00 O ATOM 0 H ASP A 59 4.149 4.787 2.566 1.00 0.00 H new ATOM 0 HA ASP A 59 3.591 6.494 4.828 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.042 4.441 3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.339 5.269 4.576 1.00 0.00 H new ATOM 993 N GLN A 60 4.187 3.314 5.215 1.00 0.00 N ATOM 994 CA GLN A 60 4.393 2.243 6.188 1.00 0.00 C ATOM 995 C GLN A 60 5.508 2.591 7.176 1.00 0.00 C ATOM 996 O GLN A 60 5.793 1.824 8.096 1.00 0.00 O ATOM 997 CB GLN A 60 4.718 0.935 5.463 1.00 0.00 C ATOM 998 CG GLN A 60 4.873 -0.260 6.391 1.00 0.00 C ATOM 999 CD GLN A 60 6.252 -0.887 6.312 1.00 0.00 C ATOM 1000 OE1 GLN A 60 6.390 -2.110 6.305 1.00 0.00 O ATOM 1001 NE2 GLN A 60 7.282 -0.050 6.252 1.00 0.00 N ATOM 0 H GLN A 60 4.513 3.091 4.274 1.00 0.00 H new ATOM 0 HA GLN A 60 3.471 2.121 6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.927 0.724 4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.640 1.064 4.896 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.679 0.054 7.417 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.123 -1.010 6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.122 0.957 6.260 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.233 -0.415 6.197 1.00 0.00 H new ATOM 1010 N LYS A 61 6.129 3.752 6.989 1.00 0.00 N ATOM 1011 CA LYS A 61 7.196 4.200 7.861 1.00 0.00 C ATOM 1012 C LYS A 61 6.701 4.329 9.294 1.00 0.00 C ATOM 1013 O LYS A 61 7.319 3.824 10.226 1.00 0.00 O ATOM 1014 CB LYS A 61 7.706 5.549 7.370 1.00 0.00 C ATOM 1015 CG LYS A 61 9.212 5.605 7.179 1.00 0.00 C ATOM 1016 CD LYS A 61 9.745 7.017 7.361 1.00 0.00 C ATOM 1017 CE LYS A 61 9.501 7.528 8.773 1.00 0.00 C ATOM 1018 NZ LYS A 61 8.300 8.406 8.849 1.00 0.00 N ATOM 0 H LYS A 61 5.905 4.400 6.234 1.00 0.00 H new ATOM 0 HA LYS A 61 8.002 3.467 7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.220 5.787 6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.411 6.319 8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.695 4.938 7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.467 5.244 6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.814 7.034 7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.265 7.683 6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.375 6.682 9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.376 8.080 9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.541 9.281 9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.980 8.640 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.539 7.910 9.356 1.00 0.00 H new ATOM 1032 N ARG A 62 5.578 5.014 9.454 1.00 0.00 N ATOM 1033 CA ARG A 62 4.987 5.223 10.773 1.00 0.00 C ATOM 1034 C ARG A 62 4.568 3.898 11.400 1.00 0.00 C ATOM 1035 O ARG A 62 4.554 3.753 12.621 1.00 0.00 O ATOM 1036 CB ARG A 62 3.778 6.153 10.668 1.00 0.00 C ATOM 1037 CG ARG A 62 4.125 7.623 10.846 1.00 0.00 C ATOM 1038 CD ARG A 62 3.421 8.491 9.814 1.00 0.00 C ATOM 1039 NE ARG A 62 1.977 8.536 10.030 1.00 0.00 N ATOM 1040 CZ ARG A 62 1.118 9.095 9.181 1.00 0.00 C ATOM 1041 NH1 ARG A 62 1.553 9.658 8.060 1.00 0.00 N ATOM 1042 NH2 ARG A 62 -0.180 9.093 9.453 1.00 0.00 N ATOM 0 H ARG A 62 5.055 5.436 8.687 1.00 0.00 H new ATOM 0 HA ARG A 62 5.740 5.683 11.412 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.307 6.015 9.695 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.044 5.868 11.421 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.843 7.946 11.848 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.203 7.756 10.760 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.825 9.502 9.855 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.626 8.105 8.815 1.00 0.00 H new ATOM 0 HE ARG A 62 1.605 8.114 10.881 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.550 9.664 7.846 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.890 10.085 7.413 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.520 8.663 10.313 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.838 9.522 8.802 1.00 0.00 H new ATOM 1056 N TYR A 63 4.218 2.940 10.554 1.00 0.00 N ATOM 1057 CA TYR A 63 3.782 1.629 11.013 1.00 0.00 C ATOM 1058 C TYR A 63 4.962 0.774 11.475 1.00 0.00 C ATOM 1059 O TYR A 63 4.869 0.067 12.478 1.00 0.00 O ATOM 1060 CB TYR A 63 3.002 0.939 9.886 1.00 0.00 C ATOM 1061 CG TYR A 63 2.892 -0.563 10.006 1.00 0.00 C ATOM 1062 CD1 TYR A 63 2.766 -1.183 11.243 1.00 0.00 C ATOM 1063 CD2 TYR A 63 2.902 -1.359 8.869 1.00 0.00 C ATOM 1064 CE1 TYR A 63 2.656 -2.557 11.342 1.00 0.00 C ATOM 1065 CE2 TYR A 63 2.791 -2.731 8.960 1.00 0.00 C ATOM 1066 CZ TYR A 63 2.668 -3.326 10.198 1.00 0.00 C ATOM 1067 OH TYR A 63 2.558 -4.695 10.291 1.00 0.00 O ATOM 0 H TYR A 63 4.228 3.047 9.540 1.00 0.00 H new ATOM 0 HA TYR A 63 3.131 1.754 11.878 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.997 1.359 9.851 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.480 1.178 8.936 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.754 -0.582 12.140 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.998 -0.897 7.898 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.561 -3.026 12.310 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.800 -3.336 8.066 1.00 0.00 H new ATOM 0 HH TYR A 63 2.582 -5.087 9.393 1.00 0.00 H new ATOM 1077 N GLU A 64 6.061 0.835 10.740 1.00 0.00 N ATOM 1078 CA GLU A 64 7.248 0.054 11.082 1.00 0.00 C ATOM 1079 C GLU A 64 8.180 0.817 12.023 1.00 0.00 C ATOM 1080 O GLU A 64 8.771 0.234 12.932 1.00 0.00 O ATOM 1081 CB GLU A 64 8.006 -0.343 9.815 1.00 0.00 C ATOM 1082 CG GLU A 64 8.299 -1.832 9.724 1.00 0.00 C ATOM 1083 CD GLU A 64 7.090 -2.640 9.295 1.00 0.00 C ATOM 1084 OE1 GLU A 64 5.957 -2.235 9.629 1.00 0.00 O ATOM 1085 OE2 GLU A 64 7.277 -3.676 8.624 1.00 0.00 O ATOM 0 H GLU A 64 6.160 1.413 9.906 1.00 0.00 H new ATOM 0 HA GLU A 64 6.908 -0.843 11.600 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.424 -0.042 8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.946 0.207 9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.111 -1.996 9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.645 -2.190 10.694 1.00 0.00 H new ATOM 1092 N ARG A 65 8.324 2.117 11.793 1.00 0.00 N ATOM 1093 CA ARG A 65 9.201 2.944 12.615 1.00 0.00 C ATOM 1094 C ARG A 65 8.760 2.956 14.076 1.00 0.00 C ATOM 1095 O ARG A 65 9.565 3.223 14.968 1.00 0.00 O ATOM 1096 CB ARG A 65 9.256 4.376 12.075 1.00 0.00 C ATOM 1097 CG ARG A 65 8.086 5.242 12.515 1.00 0.00 C ATOM 1098 CD ARG A 65 8.161 6.631 11.904 1.00 0.00 C ATOM 1099 NE ARG A 65 7.247 7.567 12.556 1.00 0.00 N ATOM 1100 CZ ARG A 65 7.372 8.891 12.494 1.00 0.00 C ATOM 1101 NH1 ARG A 65 8.371 9.439 11.812 1.00 0.00 N ATOM 1102 NH2 ARG A 65 6.497 9.669 13.114 1.00 0.00 N ATOM 0 H ARG A 65 7.846 2.621 11.046 1.00 0.00 H new ATOM 0 HA ARG A 65 10.198 2.505 12.567 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.185 4.843 12.403 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.283 4.343 10.986 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.150 4.766 12.224 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.079 5.321 13.602 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.181 7.007 11.982 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.923 6.573 10.842 1.00 0.00 H new ATOM 0 HE ARG A 65 6.467 7.183 13.090 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.047 8.845 11.332 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.462 10.454 11.768 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.727 9.254 13.639 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.593 10.683 13.066 1.00 0.00 H new ATOM 1116 N GLU A 66 7.484 2.671 14.329 1.00 0.00 N ATOM 1117 CA GLU A 66 6.980 2.661 15.685 1.00 0.00 C ATOM 1118 C GLU A 66 7.777 1.696 16.537 1.00 0.00 C ATOM 1119 O GLU A 66 8.591 2.100 17.367 1.00 0.00 O ATOM 1120 CB GLU A 66 5.514 2.278 15.721 1.00 0.00 C ATOM 1121 CG GLU A 66 4.840 2.829 16.947 1.00 0.00 C ATOM 1122 CD GLU A 66 5.099 1.995 18.187 1.00 0.00 C ATOM 1123 OE1 GLU A 66 5.121 0.752 18.072 1.00 0.00 O ATOM 1124 OE2 GLU A 66 5.278 2.586 19.272 1.00 0.00 O ATOM 0 H GLU A 66 6.792 2.447 13.614 1.00 0.00 H new ATOM 0 HA GLU A 66 7.086 3.669 16.086 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.015 2.654 14.828 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.418 1.192 15.707 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.188 3.847 17.121 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.766 2.885 16.771 1.00 0.00 H new ATOM 1131 N LEU A 67 7.548 0.414 16.307 1.00 0.00 N ATOM 1132 CA LEU A 67 8.244 -0.623 17.021 1.00 0.00 C ATOM 1133 C LEU A 67 9.742 -0.407 16.891 1.00 0.00 C ATOM 1134 O LEU A 67 10.505 -0.616 17.834 1.00 0.00 O ATOM 1135 CB LEU A 67 7.845 -1.994 16.475 1.00 0.00 C ATOM 1136 CG LEU A 67 6.698 -2.019 15.452 1.00 0.00 C ATOM 1137 CD1 LEU A 67 7.201 -1.661 14.062 1.00 0.00 C ATOM 1138 CD2 LEU A 67 6.023 -3.382 15.445 1.00 0.00 C ATOM 0 H LEU A 67 6.875 0.072 15.621 1.00 0.00 H new ATOM 0 HA LEU A 67 7.973 -0.585 18.076 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.723 -2.446 16.014 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.565 -2.628 17.316 1.00 0.00 H new ATOM 0 HG LEU A 67 5.962 -1.270 15.746 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.370 -1.686 13.357 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.634 -0.661 14.078 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.960 -2.380 13.754 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.213 -3.383 14.715 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.752 -4.148 15.179 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.620 -3.593 16.435 1.00 0.00 H new ATOM 1150 N SER A 68 10.142 0.045 15.710 1.00 0.00 N ATOM 1151 CA SER A 68 11.540 0.337 15.423 1.00 0.00 C ATOM 1152 C SER A 68 12.155 1.151 16.556 1.00 0.00 C ATOM 1153 O SER A 68 13.308 0.943 16.935 1.00 0.00 O ATOM 1154 CB SER A 68 11.646 1.122 14.116 1.00 0.00 C ATOM 1155 OG SER A 68 12.980 1.142 13.637 1.00 0.00 O ATOM 0 H SER A 68 9.511 0.219 14.928 1.00 0.00 H new ATOM 0 HA SER A 68 12.081 -0.604 15.329 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.994 0.674 13.366 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.298 2.143 14.273 1.00 0.00 H new ATOM 0 HG SER A 68 13.019 1.649 12.799 1.00 0.00 H new ATOM 1161 N GLU A 69 11.369 2.082 17.089 1.00 0.00 N ATOM 1162 CA GLU A 69 11.822 2.936 18.179 1.00 0.00 C ATOM 1163 C GLU A 69 11.909 2.154 19.487 1.00 0.00 C ATOM 1164 O GLU A 69 12.796 2.392 20.306 1.00 0.00 O ATOM 1165 CB GLU A 69 10.876 4.127 18.347 1.00 0.00 C ATOM 1166 CG GLU A 69 11.302 5.359 17.565 1.00 0.00 C ATOM 1167 CD GLU A 69 12.247 6.249 18.349 1.00 0.00 C ATOM 1168 OE1 GLU A 69 13.320 5.760 18.759 1.00 0.00 O ATOM 1169 OE2 GLU A 69 11.912 7.434 18.554 1.00 0.00 O ATOM 0 H GLU A 69 10.413 2.263 16.782 1.00 0.00 H new ATOM 0 HA GLU A 69 12.818 3.302 17.929 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.876 3.833 18.029 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.812 4.383 19.405 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.786 5.048 16.639 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.417 5.931 17.286 1.00 0.00 H new ATOM 1176 N MET A 70 10.979 1.221 19.676 1.00 0.00 N ATOM 1177 CA MET A 70 10.946 0.403 20.885 1.00 0.00 C ATOM 1178 C MET A 70 12.278 -0.307 21.103 1.00 0.00 C ATOM 1179 O MET A 70 12.713 -0.499 22.239 1.00 0.00 O ATOM 1180 CB MET A 70 9.815 -0.624 20.798 1.00 0.00 C ATOM 1181 CG MET A 70 8.643 -0.312 21.711 1.00 0.00 C ATOM 1182 SD MET A 70 7.455 -1.665 21.805 1.00 0.00 S ATOM 1183 CE MET A 70 8.176 -2.658 23.110 1.00 0.00 C ATOM 0 H MET A 70 10.238 1.013 19.007 1.00 0.00 H new ATOM 0 HA MET A 70 10.766 1.063 21.734 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.460 -0.676 19.769 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.209 -1.609 21.049 1.00 0.00 H new ATOM 0 HG2 MET A 70 9.016 -0.091 22.711 1.00 0.00 H new ATOM 0 HG3 MET A 70 8.138 0.585 21.353 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.554 -3.535 23.286 1.00 0.00 H new ATOM 0 HE2 MET A 70 9.176 -2.976 22.815 1.00 0.00 H new ATOM 0 HE3 MET A 70 8.238 -2.068 24.024 1.00 0.00 H new ATOM 1193 N ARG A 71 12.917 -0.696 20.008 1.00 0.00 N ATOM 1194 CA ARG A 71 14.199 -1.388 20.075 1.00 0.00 C ATOM 1195 C ARG A 71 15.361 -0.410 19.924 1.00 0.00 C ATOM 1196 O ARG A 71 16.427 -0.772 19.425 1.00 0.00 O ATOM 1197 CB ARG A 71 14.278 -2.462 18.989 1.00 0.00 C ATOM 1198 CG ARG A 71 15.393 -3.471 19.213 1.00 0.00 C ATOM 1199 CD ARG A 71 14.904 -4.897 19.015 1.00 0.00 C ATOM 1200 NE ARG A 71 15.799 -5.874 19.631 1.00 0.00 N ATOM 1201 CZ ARG A 71 15.911 -6.052 20.945 1.00 0.00 C ATOM 1202 NH1 ARG A 71 15.187 -5.322 21.785 1.00 0.00 N ATOM 1203 NH2 ARG A 71 16.748 -6.963 21.422 1.00 0.00 N ATOM 0 H ARG A 71 12.569 -0.544 19.061 1.00 0.00 H new ATOM 0 HA ARG A 71 14.275 -1.861 21.054 1.00 0.00 H new ATOM 0 HB2 ARG A 71 13.325 -2.990 18.941 1.00 0.00 H new ATOM 0 HB3 ARG A 71 14.424 -1.980 18.022 1.00 0.00 H new ATOM 0 HG2 ARG A 71 16.213 -3.268 18.524 1.00 0.00 H new ATOM 0 HG3 ARG A 71 15.789 -3.358 20.222 1.00 0.00 H new ATOM 0 HD2 ARG A 71 13.906 -5.000 19.441 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.818 -5.106 17.949 1.00 0.00 H new ATOM 0 HE ARG A 71 16.372 -6.454 19.018 1.00 0.00 H new ATOM 0 HH11 ARG A 71 14.541 -4.620 21.424 1.00 0.00 H new ATOM 0 HH12 ARG A 71 15.277 -5.463 22.791 1.00 0.00 H new ATOM 0 HH21 ARG A 71 17.306 -7.528 20.782 1.00 0.00 H new ATOM 0 HH22 ARG A 71 16.834 -7.099 22.429 1.00 0.00 H new ATOM 1217 N ALA A 72 15.151 0.828 20.359 1.00 0.00 N ATOM 1218 CA ALA A 72 16.185 1.851 20.271 1.00 0.00 C ATOM 1219 C ALA A 72 16.011 2.921 21.345 1.00 0.00 C ATOM 1220 O ALA A 72 16.044 4.117 21.050 1.00 0.00 O ATOM 1221 CB ALA A 72 16.180 2.477 18.884 1.00 0.00 C ATOM 0 H ALA A 72 14.276 1.146 20.775 1.00 0.00 H new ATOM 0 HA ALA A 72 17.149 1.372 20.443 1.00 0.00 H new ATOM 0 HB1 ALA A 72 16.956 3.241 18.827 1.00 0.00 H new ATOM 0 HB2 ALA A 72 16.373 1.707 18.137 1.00 0.00 H new ATOM 0 HB3 ALA A 72 15.208 2.932 18.694 1.00 0.00 H new ATOM 1227 N PRO A 73 15.847 2.512 22.618 1.00 0.00 N ATOM 1228 CA PRO A 73 15.699 3.458 23.722 1.00 0.00 C ATOM 1229 C PRO A 73 16.875 4.427 23.775 1.00 0.00 C ATOM 1230 O PRO A 73 16.687 5.637 23.904 1.00 0.00 O ATOM 1231 CB PRO A 73 15.669 2.573 24.973 1.00 0.00 C ATOM 1232 CG PRO A 73 15.290 1.217 24.482 1.00 0.00 C ATOM 1233 CD PRO A 73 15.820 1.113 23.078 1.00 0.00 C ATOM 0 HA PRO A 73 14.806 4.075 23.622 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.641 2.556 25.467 1.00 0.00 H new ATOM 0 HB3 PRO A 73 14.948 2.944 25.701 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.716 0.440 25.117 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.208 1.085 24.500 1.00 0.00 H new ATOM 0 HD2 PRO A 73 16.813 0.664 23.056 1.00 0.00 H new ATOM 0 HD3 PRO A 73 15.177 0.496 22.450 1.00 0.00 H new ATOM 1241 N PRO A 74 18.114 3.906 23.664 1.00 0.00 N ATOM 1242 CA PRO A 74 19.316 4.720 23.686 1.00 0.00 C ATOM 1243 C PRO A 74 19.749 5.143 22.286 1.00 0.00 C ATOM 1244 O PRO A 74 20.941 5.209 21.986 1.00 0.00 O ATOM 1245 CB PRO A 74 20.335 3.767 24.297 1.00 0.00 C ATOM 1246 CG PRO A 74 19.934 2.418 23.791 1.00 0.00 C ATOM 1247 CD PRO A 74 18.449 2.478 23.502 1.00 0.00 C ATOM 0 HA PRO A 74 19.188 5.654 24.233 1.00 0.00 H new ATOM 0 HB2 PRO A 74 21.350 4.021 23.990 1.00 0.00 H new ATOM 0 HB3 PRO A 74 20.312 3.806 25.386 1.00 0.00 H new ATOM 0 HG2 PRO A 74 20.492 2.162 22.890 1.00 0.00 H new ATOM 0 HG3 PRO A 74 20.152 1.648 24.531 1.00 0.00 H new ATOM 0 HD2 PRO A 74 18.223 2.126 22.495 1.00 0.00 H new ATOM 0 HD3 PRO A 74 17.882 1.854 24.192 1.00 0.00 H new ATOM 1255 N ALA A 75 18.770 5.420 21.432 1.00 0.00 N ATOM 1256 CA ALA A 75 19.040 5.827 20.061 1.00 0.00 C ATOM 1257 C ALA A 75 19.015 7.345 19.918 1.00 0.00 C ATOM 1258 O ALA A 75 18.555 7.876 18.908 1.00 0.00 O ATOM 1259 CB ALA A 75 18.028 5.187 19.125 1.00 0.00 C ATOM 0 H ALA A 75 17.779 5.369 21.668 1.00 0.00 H new ATOM 0 HA ALA A 75 20.040 5.487 19.793 1.00 0.00 H new ATOM 0 HB1 ALA A 75 18.235 5.495 18.100 1.00 0.00 H new ATOM 0 HB2 ALA A 75 18.099 4.102 19.199 1.00 0.00 H new ATOM 0 HB3 ALA A 75 17.023 5.504 19.404 1.00 0.00 H new ATOM 1265 N ALA A 76 19.515 8.037 20.936 1.00 0.00 N ATOM 1266 CA ALA A 76 19.552 9.494 20.923 1.00 0.00 C ATOM 1267 C ALA A 76 20.686 10.024 21.796 1.00 0.00 C ATOM 1268 O ALA A 76 20.632 11.156 22.279 1.00 0.00 O ATOM 1269 CB ALA A 76 18.218 10.060 21.387 1.00 0.00 C ATOM 0 H ALA A 76 19.900 7.612 21.780 1.00 0.00 H new ATOM 0 HA ALA A 76 19.736 9.818 19.899 1.00 0.00 H new ATOM 0 HB1 ALA A 76 18.260 11.149 21.372 1.00 0.00 H new ATOM 0 HB2 ALA A 76 17.426 9.718 20.720 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.011 9.719 22.401 1.00 0.00 H new ATOM 1275 N THR A 77 21.712 9.201 21.994 1.00 0.00 N ATOM 1276 CA THR A 77 22.860 9.589 22.809 1.00 0.00 C ATOM 1277 C THR A 77 23.867 8.447 22.906 1.00 0.00 C ATOM 1278 O THR A 77 25.077 8.666 22.837 1.00 0.00 O ATOM 1279 CB THR A 77 22.404 10.003 24.211 1.00 0.00 C ATOM 1280 OG1 THR A 77 21.121 9.476 24.498 1.00 0.00 O ATOM 1281 CG2 THR A 77 22.336 11.504 24.399 1.00 0.00 C ATOM 0 H THR A 77 21.772 8.261 21.602 1.00 0.00 H new ATOM 0 HA THR A 77 23.344 10.439 22.328 1.00 0.00 H new ATOM 0 HB THR A 77 23.156 9.601 24.889 1.00 0.00 H new ATOM 0 HG1 THR A 77 20.849 9.750 25.398 1.00 0.00 H new ATOM 0 HG21 THR A 77 22.006 11.729 25.413 1.00 0.00 H new ATOM 0 HG22 THR A 77 23.323 11.936 24.234 1.00 0.00 H new ATOM 0 HG23 THR A 77 21.630 11.928 23.685 1.00 0.00 H new ATOM 1289 N ASN A 78 23.361 7.229 23.067 1.00 0.00 N ATOM 1290 CA ASN A 78 24.217 6.052 23.175 1.00 0.00 C ATOM 1291 C ASN A 78 24.097 5.174 21.932 1.00 0.00 C ATOM 1292 O ASN A 78 23.970 3.953 22.031 1.00 0.00 O ATOM 1293 CB ASN A 78 23.854 5.246 24.424 1.00 0.00 C ATOM 1294 CG ASN A 78 25.078 4.797 25.198 1.00 0.00 C ATOM 1295 OD1 ASN A 78 25.285 5.199 26.343 1.00 0.00 O ATOM 1296 ND2 ASN A 78 25.897 3.959 24.574 1.00 0.00 N ATOM 0 H ASN A 78 22.362 7.030 23.126 1.00 0.00 H new ATOM 0 HA ASN A 78 25.250 6.390 23.257 1.00 0.00 H new ATOM 0 HB2 ASN A 78 23.220 5.851 25.072 1.00 0.00 H new ATOM 0 HB3 ASN A 78 23.271 4.372 24.133 1.00 0.00 H new ATOM 0 HD21 ASN A 78 26.737 3.622 25.044 1.00 0.00 H new ATOM 0 HD22 ASN A 78 25.686 3.652 23.625 1.00 0.00 H new ATOM 1303 N SER A 79 24.140 5.803 20.763 1.00 0.00 N ATOM 1304 CA SER A 79 24.038 5.079 19.501 1.00 0.00 C ATOM 1305 C SER A 79 24.967 5.682 18.452 1.00 0.00 C ATOM 1306 O SER A 79 25.786 4.981 17.857 1.00 0.00 O ATOM 1307 CB SER A 79 22.596 5.096 18.992 1.00 0.00 C ATOM 1308 OG SER A 79 22.422 4.186 17.920 1.00 0.00 O ATOM 0 H SER A 79 24.245 6.813 20.663 1.00 0.00 H new ATOM 0 HA SER A 79 24.340 4.047 19.678 1.00 0.00 H new ATOM 0 HB2 SER A 79 21.917 4.839 19.805 1.00 0.00 H new ATOM 0 HB3 SER A 79 22.335 6.102 18.665 1.00 0.00 H new ATOM 0 HG SER A 79 21.491 4.215 17.614 1.00 0.00 H new ATOM 1314 N SER A 80 24.834 6.985 18.231 1.00 0.00 N ATOM 1315 CA SER A 80 25.662 7.683 17.255 1.00 0.00 C ATOM 1316 C SER A 80 27.117 7.731 17.712 1.00 0.00 C ATOM 1317 O SER A 80 28.036 7.567 16.910 1.00 0.00 O ATOM 1318 CB SER A 80 25.136 9.102 17.031 1.00 0.00 C ATOM 1319 OG SER A 80 25.031 9.396 15.648 1.00 0.00 O ATOM 0 H SER A 80 24.161 7.579 18.715 1.00 0.00 H new ATOM 0 HA SER A 80 25.614 7.134 16.315 1.00 0.00 H new ATOM 0 HB2 SER A 80 24.160 9.210 17.504 1.00 0.00 H new ATOM 0 HB3 SER A 80 25.803 9.820 17.509 1.00 0.00 H new ATOM 0 HG SER A 80 24.691 10.308 15.532 1.00 0.00 H new ATOM 1325 N LYS A 81 27.317 7.957 19.006 1.00 0.00 N ATOM 1326 CA LYS A 81 28.659 8.026 19.572 1.00 0.00 C ATOM 1327 C LYS A 81 28.764 7.170 20.830 1.00 0.00 C ATOM 1328 O LYS A 81 27.809 6.496 21.215 1.00 0.00 O ATOM 1329 CB LYS A 81 29.026 9.476 19.895 1.00 0.00 C ATOM 1330 CG LYS A 81 29.663 10.216 18.729 1.00 0.00 C ATOM 1331 CD LYS A 81 30.873 11.023 19.173 1.00 0.00 C ATOM 1332 CE LYS A 81 32.159 10.226 19.026 1.00 0.00 C ATOM 1333 NZ LYS A 81 33.288 11.075 18.554 1.00 0.00 N ATOM 0 H LYS A 81 26.566 8.096 19.683 1.00 0.00 H new ATOM 0 HA LYS A 81 29.358 7.638 18.831 1.00 0.00 H new ATOM 0 HB2 LYS A 81 28.127 10.009 20.206 1.00 0.00 H new ATOM 0 HB3 LYS A 81 29.713 9.489 20.741 1.00 0.00 H new ATOM 0 HG2 LYS A 81 29.963 9.501 17.963 1.00 0.00 H new ATOM 0 HG3 LYS A 81 28.929 10.881 18.274 1.00 0.00 H new ATOM 0 HD2 LYS A 81 30.940 11.936 18.581 1.00 0.00 H new ATOM 0 HD3 LYS A 81 30.748 11.326 20.213 1.00 0.00 H new ATOM 0 HE2 LYS A 81 32.419 9.776 19.984 1.00 0.00 H new ATOM 0 HE3 LYS A 81 32.001 9.408 18.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 34.146 10.494 18.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 33.051 11.484 17.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 33.456 11.840 19.238 1.00 0.00 H new ATOM 1347 N LYS A 82 29.931 7.203 21.466 1.00 0.00 N ATOM 1348 CA LYS A 82 30.160 6.429 22.681 1.00 0.00 C ATOM 1349 C LYS A 82 30.119 7.327 23.913 1.00 0.00 C ATOM 1350 O LYS A 82 31.159 7.727 24.437 1.00 0.00 O ATOM 1351 CB LYS A 82 31.507 5.708 22.605 1.00 0.00 C ATOM 1352 CG LYS A 82 31.433 4.351 21.925 1.00 0.00 C ATOM 1353 CD LYS A 82 32.378 3.351 22.572 1.00 0.00 C ATOM 1354 CE LYS A 82 31.770 1.959 22.619 1.00 0.00 C ATOM 1355 NZ LYS A 82 32.359 1.060 21.587 1.00 0.00 N ATOM 0 H LYS A 82 30.732 7.757 21.161 1.00 0.00 H new ATOM 0 HA LYS A 82 29.364 5.689 22.766 1.00 0.00 H new ATOM 0 HB2 LYS A 82 32.216 6.337 22.067 1.00 0.00 H new ATOM 0 HB3 LYS A 82 31.898 5.579 23.614 1.00 0.00 H new ATOM 0 HG2 LYS A 82 30.412 3.973 21.975 1.00 0.00 H new ATOM 0 HG3 LYS A 82 31.682 4.458 20.869 1.00 0.00 H new ATOM 0 HD2 LYS A 82 33.315 3.321 22.015 1.00 0.00 H new ATOM 0 HD3 LYS A 82 32.619 3.678 23.583 1.00 0.00 H new ATOM 0 HE2 LYS A 82 31.926 1.528 23.608 1.00 0.00 H new ATOM 0 HE3 LYS A 82 30.693 2.028 22.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 31.918 0.121 21.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 32.188 1.458 20.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 33.383 0.973 21.746 1.00 0.00 H new ATOM 1369 N LEU A 83 28.911 7.639 24.372 1.00 0.00 N ATOM 1370 CA LEU A 83 28.734 8.488 25.544 1.00 0.00 C ATOM 1371 C LEU A 83 29.356 9.863 25.318 1.00 0.00 C ATOM 1372 O LEU A 83 30.499 10.109 25.702 1.00 0.00 O ATOM 1373 CB LEU A 83 29.357 7.830 26.776 1.00 0.00 C ATOM 1374 CG LEU A 83 28.483 6.776 27.458 1.00 0.00 C ATOM 1375 CD1 LEU A 83 27.168 7.388 27.915 1.00 0.00 C ATOM 1376 CD2 LEU A 83 28.231 5.606 26.520 1.00 0.00 C ATOM 0 H LEU A 83 28.040 7.316 23.950 1.00 0.00 H new ATOM 0 HA LEU A 83 27.664 8.615 25.711 1.00 0.00 H new ATOM 0 HB2 LEU A 83 30.299 7.365 26.484 1.00 0.00 H new ATOM 0 HB3 LEU A 83 29.596 8.607 27.502 1.00 0.00 H new ATOM 0 HG LEU A 83 29.012 6.405 28.336 1.00 0.00 H new ATOM 0 HD11 LEU A 83 26.559 6.624 28.398 1.00 0.00 H new ATOM 0 HD12 LEU A 83 27.368 8.193 28.622 1.00 0.00 H new ATOM 0 HD13 LEU A 83 26.633 7.787 27.053 1.00 0.00 H new ATOM 0 HD21 LEU A 83 27.608 4.866 27.021 1.00 0.00 H new ATOM 0 HD22 LEU A 83 27.723 5.961 25.624 1.00 0.00 H new ATOM 0 HD23 LEU A 83 29.182 5.151 26.242 1.00 0.00 H new ATOM 1388 N GLU A 84 28.595 10.755 24.693 1.00 0.00 N ATOM 1389 CA GLU A 84 29.070 12.106 24.416 1.00 0.00 C ATOM 1390 C GLU A 84 30.317 12.073 23.537 1.00 0.00 C ATOM 1391 CB GLU A 84 29.370 12.842 25.725 1.00 0.00 C ATOM 1392 CG GLU A 84 28.289 13.832 26.126 1.00 0.00 C ATOM 1393 CD GLU A 84 28.219 14.042 27.626 1.00 0.00 C ATOM 1394 OE1 GLU A 84 27.920 13.069 28.349 1.00 0.00 O ATOM 1395 OE2 GLU A 84 28.463 15.181 28.077 1.00 0.00 O ATOM 0 H GLU A 84 27.646 10.567 24.369 1.00 0.00 H new ATOM 0 HA GLU A 84 28.285 12.640 23.881 1.00 0.00 H new ATOM 0 HB2 GLU A 84 29.496 12.110 26.523 1.00 0.00 H new ATOM 0 HB3 GLU A 84 30.318 13.371 25.626 1.00 0.00 H new ATOM 0 HG2 GLU A 84 28.477 14.788 25.637 1.00 0.00 H new ATOM 0 HG3 GLU A 84 27.324 13.475 25.767 1.00 0.00 H new TER 1402 GLU A 84