USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 830 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 109 TYR OH : rot 30:sc= -1.33! USER MOD Set 1.2: A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 102 TYR OH : rot -150:sc= -5.9! USER MOD Set 2.2: A 106 GLN : amide:sc= -2.56 X(o=-8.5,f=-8.6!) USER MOD Set 3.1: A 27 THR OG1 : rot -100:sc= -2.29 USER MOD Set 3.2: A 88 ASN : amide:sc= -2.54! C(o=-4.8!,f=-5.2!) USER MOD Single : A 23 THR OG1 : rot 25:sc= 0.369 USER MOD Single : A 24 ASN : amide:sc= 0.347 K(o=0.35,f=-4.3!) USER MOD Single : A 25 GLN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.235 X(o=-0.24,f=-0.042) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0167 K(o=-0.017,f=-1.1) USER MOD Single : A 41 SER OG : rot 84:sc= 1.13 USER MOD Single : A 46 LYS NZ :NH3+ 130:sc= 1.24 (180deg=0.438) USER MOD Single : A 48 CYS SG : rot -54:sc= -9.76! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 143:sc= -1.2 (180deg=-2.92!) USER MOD Single : A 57 SER OG : rot -74:sc= 0.139 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -175:sc= 1.03 (180deg=0.936) USER MOD Single : A 66 THR OG1 : rot -48:sc= 0.941 USER MOD Single : A 71 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.2) USER MOD Single : A 72 CYS SG : rot 26:sc= -2.46! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 86:sc= 0.0958 USER MOD Single : A 82 ASN : amide:sc= -4.54! K(o=-4.5!,f=-2.4) USER MOD Single : A 86 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-0.57) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 113:sc= 0.605 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -1.84 K(o=-1.8,f=-2.6!) USER MOD Single : A 111 GLN : amide:sc= -1.84 K(o=-1.8,f=-2.9!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 23 -27.073 3.835 -6.434 1.00 0.00 N ATOM 2 CA THR A 23 -26.418 3.361 -5.187 1.00 0.00 C ATOM 3 C THR A 23 -25.059 4.025 -4.991 1.00 0.00 C ATOM 4 O THR A 23 -24.024 3.459 -5.343 1.00 0.00 O ATOM 5 CB THR A 23 -26.257 1.842 -5.269 1.00 0.00 C ATOM 6 OG1 THR A 23 -27.446 1.237 -5.745 1.00 0.00 O ATOM 7 CG2 THR A 23 -25.918 1.203 -3.940 1.00 0.00 C ATOM 0 HA THR A 23 -27.039 3.628 -4.332 1.00 0.00 H new ATOM 0 HB THR A 23 -25.427 1.677 -5.956 1.00 0.00 H new ATOM 0 HG1 THR A 23 -27.951 1.885 -6.280 1.00 0.00 H new ATOM 0 HG21 THR A 23 -25.818 0.125 -4.069 1.00 0.00 H new ATOM 0 HG22 THR A 23 -24.979 1.613 -3.568 1.00 0.00 H new ATOM 0 HG23 THR A 23 -26.713 1.410 -3.223 1.00 0.00 H new ATOM 17 N ASN A 24 -25.070 5.229 -4.428 1.00 0.00 N ATOM 18 CA ASN A 24 -23.837 5.970 -4.186 1.00 0.00 C ATOM 19 C ASN A 24 -23.135 5.466 -2.929 1.00 0.00 C ATOM 20 O ASN A 24 -21.910 5.532 -2.823 1.00 0.00 O ATOM 21 CB ASN A 24 -24.134 7.465 -4.053 1.00 0.00 C ATOM 22 CG ASN A 24 -25.051 7.772 -2.885 1.00 0.00 C ATOM 23 OD1 ASN A 24 -26.090 7.135 -2.713 1.00 0.00 O ATOM 24 ND2 ASN A 24 -24.670 8.753 -2.075 1.00 0.00 N ATOM 0 H ASN A 24 -25.918 5.712 -4.131 1.00 0.00 H new ATOM 0 HA ASN A 24 -23.175 5.811 -5.037 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.198 8.009 -3.928 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -24.591 7.825 -4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -25.247 9.005 -1.272 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -23.800 9.255 -2.256 1.00 0.00 H new ATOM 31 N GLN A 25 -23.917 4.962 -1.980 1.00 0.00 N ATOM 32 CA GLN A 25 -23.369 4.447 -0.730 1.00 0.00 C ATOM 33 C GLN A 25 -22.359 3.335 -0.994 1.00 0.00 C ATOM 34 O GLN A 25 -21.326 3.250 -0.330 1.00 0.00 O ATOM 35 CB GLN A 25 -24.493 3.928 0.167 1.00 0.00 C ATOM 36 CG GLN A 25 -24.218 4.105 1.652 1.00 0.00 C ATOM 37 CD GLN A 25 -24.892 5.335 2.226 1.00 0.00 C ATOM 38 OE1 GLN A 25 -25.662 5.245 3.183 1.00 0.00 O ATOM 39 NE2 GLN A 25 -24.606 6.494 1.644 1.00 0.00 N ATOM 0 H GLN A 25 -24.932 4.899 -2.053 1.00 0.00 H new ATOM 0 HA GLN A 25 -22.856 5.265 -0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -25.418 4.446 -0.087 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -24.653 2.870 -0.041 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -24.563 3.222 2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -23.142 4.176 1.813 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -23.962 6.522 0.853 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -25.030 7.356 1.988 1.00 0.00 H new ATOM 48 N LYS A 26 -22.662 2.484 -1.969 1.00 0.00 N ATOM 49 CA LYS A 26 -21.777 1.380 -2.320 1.00 0.00 C ATOM 50 C LYS A 26 -20.416 1.901 -2.765 1.00 0.00 C ATOM 51 O LYS A 26 -19.379 1.461 -2.267 1.00 0.00 O ATOM 52 CB LYS A 26 -22.401 0.527 -3.426 1.00 0.00 C ATOM 53 CG LYS A 26 -23.203 -0.654 -2.905 1.00 0.00 C ATOM 54 CD LYS A 26 -23.595 -1.600 -4.029 1.00 0.00 C ATOM 55 CE LYS A 26 -24.896 -2.323 -3.719 1.00 0.00 C ATOM 56 NZ LYS A 26 -25.343 -3.175 -4.855 1.00 0.00 N ATOM 0 H LYS A 26 -23.513 2.538 -2.529 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.638 0.760 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -23.050 1.156 -4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -21.610 0.158 -4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -22.617 -1.194 -2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -24.100 -0.293 -2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -23.701 -1.039 -4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -22.800 -2.329 -4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -24.765 -2.942 -2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -25.671 -1.592 -3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -26.233 -3.650 -4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -25.493 -2.582 -5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -24.615 -3.889 -5.061 1.00 0.00 H new ATOM 70 N THR A 27 -20.423 2.850 -3.695 1.00 0.00 N ATOM 71 CA THR A 27 -19.189 3.432 -4.188 1.00 0.00 C ATOM 72 C THR A 27 -18.504 4.218 -3.072 1.00 0.00 C ATOM 73 O THR A 27 -17.280 4.340 -3.042 1.00 0.00 O ATOM 74 CB THR A 27 -19.480 4.322 -5.403 1.00 0.00 C ATOM 75 OG1 THR A 27 -19.053 3.692 -6.597 1.00 0.00 O ATOM 76 CG2 THR A 27 -18.816 5.678 -5.344 1.00 0.00 C ATOM 0 H THR A 27 -21.270 3.229 -4.119 1.00 0.00 H new ATOM 0 HA THR A 27 -18.512 2.639 -4.506 1.00 0.00 H new ATOM 0 HB THR A 27 -20.560 4.470 -5.389 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.188 4.062 -6.870 1.00 0.00 H new ATOM 0 HG21 THR A 27 -19.070 6.247 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 27 -19.163 6.215 -4.461 1.00 0.00 H new ATOM 0 HG23 THR A 27 -17.735 5.552 -5.290 1.00 0.00 H new ATOM 84 N LYS A 28 -19.306 4.736 -2.144 1.00 0.00 N ATOM 85 CA LYS A 28 -18.777 5.490 -1.017 1.00 0.00 C ATOM 86 C LYS A 28 -17.916 4.582 -0.149 1.00 0.00 C ATOM 87 O LYS A 28 -16.843 4.974 0.313 1.00 0.00 O ATOM 88 CB LYS A 28 -19.918 6.086 -0.190 1.00 0.00 C ATOM 89 CG LYS A 28 -19.445 6.896 1.006 1.00 0.00 C ATOM 90 CD LYS A 28 -19.115 8.327 0.614 1.00 0.00 C ATOM 91 CE LYS A 28 -20.371 9.120 0.285 1.00 0.00 C ATOM 92 NZ LYS A 28 -20.710 10.095 1.358 1.00 0.00 N ATOM 0 H LYS A 28 -20.322 4.646 -2.153 1.00 0.00 H new ATOM 0 HA LYS A 28 -18.164 6.307 -1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -20.526 6.723 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -20.562 5.279 0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -20.218 6.897 1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.564 6.424 1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.579 8.814 1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.449 8.324 -0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -20.229 9.651 -0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -21.206 8.434 0.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.572 10.615 1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.871 9.587 2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.924 10.766 1.478 1.00 0.00 H new ATOM 106 N GLU A 29 -18.390 3.355 0.052 1.00 0.00 N ATOM 107 CA GLU A 29 -17.662 2.376 0.846 1.00 0.00 C ATOM 108 C GLU A 29 -16.298 2.110 0.222 1.00 0.00 C ATOM 109 O GLU A 29 -15.305 1.924 0.925 1.00 0.00 O ATOM 110 CB GLU A 29 -18.457 1.073 0.942 1.00 0.00 C ATOM 111 CG GLU A 29 -19.363 1.002 2.162 1.00 0.00 C ATOM 112 CD GLU A 29 -19.045 -0.178 3.059 1.00 0.00 C ATOM 113 OE1 GLU A 29 -17.848 -0.499 3.215 1.00 0.00 O ATOM 114 OE2 GLU A 29 -19.992 -0.781 3.605 1.00 0.00 O ATOM 0 H GLU A 29 -19.276 3.017 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.522 2.775 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -19.063 0.959 0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.762 0.234 0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -19.267 1.925 2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -20.401 0.936 1.835 1.00 0.00 H new ATOM 121 N LEU A 30 -16.261 2.106 -1.107 1.00 0.00 N ATOM 122 CA LEU A 30 -15.022 1.877 -1.838 1.00 0.00 C ATOM 123 C LEU A 30 -13.988 2.934 -1.465 1.00 0.00 C ATOM 124 O LEU A 30 -12.863 2.608 -1.088 1.00 0.00 O ATOM 125 CB LEU A 30 -15.294 1.887 -3.346 1.00 0.00 C ATOM 126 CG LEU A 30 -14.109 2.269 -4.237 1.00 0.00 C ATOM 127 CD1 LEU A 30 -13.030 1.199 -4.176 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.575 2.484 -5.670 1.00 0.00 C ATOM 0 H LEU A 30 -17.077 2.259 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.623 0.900 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.640 0.896 -3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.111 2.581 -3.544 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.683 3.203 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.195 1.487 -4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.681 1.093 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.440 0.249 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.723 2.755 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.023 1.565 -6.048 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.313 3.286 -5.696 1.00 0.00 H new ATOM 140 N SER A 31 -14.384 4.201 -1.552 1.00 0.00 N ATOM 141 CA SER A 31 -13.493 5.301 -1.200 1.00 0.00 C ATOM 142 C SER A 31 -12.942 5.089 0.206 1.00 0.00 C ATOM 143 O SER A 31 -11.853 5.557 0.535 1.00 0.00 O ATOM 144 CB SER A 31 -14.234 6.637 -1.278 1.00 0.00 C ATOM 145 OG SER A 31 -13.353 7.724 -1.055 1.00 0.00 O ATOM 0 H SER A 31 -15.312 4.490 -1.862 1.00 0.00 H new ATOM 0 HA SER A 31 -12.666 5.323 -1.910 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.702 6.740 -2.257 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.034 6.656 -0.538 1.00 0.00 H new ATOM 0 HG SER A 31 -13.851 8.566 -1.112 1.00 0.00 H new ATOM 151 N ASN A 32 -13.699 4.360 1.027 1.00 0.00 N ATOM 152 CA ASN A 32 -13.277 4.063 2.388 1.00 0.00 C ATOM 153 C ASN A 32 -12.084 3.118 2.357 1.00 0.00 C ATOM 154 O ASN A 32 -11.143 3.258 3.138 1.00 0.00 O ATOM 155 CB ASN A 32 -14.426 3.439 3.182 1.00 0.00 C ATOM 156 CG ASN A 32 -14.457 3.909 4.623 1.00 0.00 C ATOM 157 OD1 ASN A 32 -14.451 3.102 5.552 1.00 0.00 O ATOM 158 ND2 ASN A 32 -14.490 5.223 4.816 1.00 0.00 N ATOM 0 H ASN A 32 -14.605 3.967 0.770 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.987 4.992 2.879 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.372 3.687 2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.332 2.353 3.159 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.512 5.599 5.764 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.494 5.856 4.016 1.00 0.00 H new ATOM 165 N LEU A 33 -12.121 2.169 1.424 1.00 0.00 N ATOM 166 CA LEU A 33 -11.030 1.219 1.263 1.00 0.00 C ATOM 167 C LEU A 33 -9.844 1.930 0.633 1.00 0.00 C ATOM 168 O LEU A 33 -8.704 1.777 1.067 1.00 0.00 O ATOM 169 CB LEU A 33 -11.456 0.036 0.386 1.00 0.00 C ATOM 170 CG LEU A 33 -12.921 -0.389 0.515 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.330 -1.244 -0.673 1.00 0.00 C ATOM 172 CD2 LEU A 33 -13.146 -1.137 1.820 1.00 0.00 C ATOM 0 H LEU A 33 -12.894 2.040 0.771 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.754 0.829 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.260 0.290 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.825 -0.819 0.629 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.543 0.506 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.374 -1.538 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.206 -0.672 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.704 -2.135 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.193 -1.431 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.516 -2.026 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.890 -0.490 2.659 1.00 0.00 H new ATOM 184 N ILE A 34 -10.138 2.732 -0.383 1.00 0.00 N ATOM 185 CA ILE A 34 -9.118 3.504 -1.071 1.00 0.00 C ATOM 186 C ILE A 34 -8.495 4.506 -0.108 1.00 0.00 C ATOM 187 O ILE A 34 -7.275 4.659 -0.056 1.00 0.00 O ATOM 188 CB ILE A 34 -9.719 4.245 -2.285 1.00 0.00 C ATOM 189 CG1 ILE A 34 -10.004 3.258 -3.416 1.00 0.00 C ATOM 190 CG2 ILE A 34 -8.801 5.356 -2.771 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.720 3.880 -4.593 1.00 0.00 C ATOM 0 H ILE A 34 -11.081 2.863 -0.748 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.349 2.821 -1.431 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.655 4.704 -1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.063 2.829 -3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.606 2.436 -3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.256 5.856 -3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.647 6.078 -1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.841 4.932 -3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.890 3.122 -5.358 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.677 4.284 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.110 4.683 -5.007 1.00 0.00 H new ATOM 203 N GLU A 35 -9.344 5.179 0.662 1.00 0.00 N ATOM 204 CA GLU A 35 -8.879 6.158 1.635 1.00 0.00 C ATOM 205 C GLU A 35 -7.833 5.529 2.546 1.00 0.00 C ATOM 206 O GLU A 35 -6.871 6.182 2.955 1.00 0.00 O ATOM 207 CB GLU A 35 -10.049 6.690 2.464 1.00 0.00 C ATOM 208 CG GLU A 35 -10.722 7.909 1.853 1.00 0.00 C ATOM 209 CD GLU A 35 -10.398 9.189 2.598 1.00 0.00 C ATOM 210 OE1 GLU A 35 -9.222 9.375 2.976 1.00 0.00 O ATOM 211 OE2 GLU A 35 -11.320 10.006 2.803 1.00 0.00 O ATOM 0 H GLU A 35 -10.357 5.064 0.630 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.428 6.994 1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.789 5.898 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.691 6.945 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.410 8.009 0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.802 7.759 1.848 1.00 0.00 H new ATOM 218 N THR A 36 -8.016 4.245 2.837 1.00 0.00 N ATOM 219 CA THR A 36 -7.075 3.520 3.672 1.00 0.00 C ATOM 220 C THR A 36 -5.859 3.147 2.838 1.00 0.00 C ATOM 221 O THR A 36 -4.723 3.230 3.301 1.00 0.00 O ATOM 222 CB THR A 36 -7.741 2.275 4.280 1.00 0.00 C ATOM 223 OG1 THR A 36 -7.471 2.196 5.668 1.00 0.00 O ATOM 224 CG2 THR A 36 -7.299 0.967 3.656 1.00 0.00 C ATOM 0 H THR A 36 -8.805 3.690 2.507 1.00 0.00 H new ATOM 0 HA THR A 36 -6.754 4.152 4.500 1.00 0.00 H new ATOM 0 HB THR A 36 -8.805 2.402 4.079 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.903 1.399 6.040 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.816 0.139 4.142 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.540 0.971 2.593 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.223 0.848 3.784 1.00 0.00 H new ATOM 232 N PHE A 37 -6.110 2.761 1.588 1.00 0.00 N ATOM 233 CA PHE A 37 -5.035 2.406 0.677 1.00 0.00 C ATOM 234 C PHE A 37 -4.115 3.599 0.495 1.00 0.00 C ATOM 235 O PHE A 37 -2.896 3.459 0.470 1.00 0.00 O ATOM 236 CB PHE A 37 -5.591 1.964 -0.678 1.00 0.00 C ATOM 237 CG PHE A 37 -4.619 1.159 -1.503 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.598 0.424 -0.908 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.725 1.149 -2.882 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.710 -0.302 -1.680 1.00 0.00 C ATOM 241 CE2 PHE A 37 -3.839 0.426 -3.654 1.00 0.00 C ATOM 242 CZ PHE A 37 -2.831 -0.299 -3.053 1.00 0.00 C ATOM 0 H PHE A 37 -7.046 2.688 1.189 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.476 1.572 1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.492 1.372 -0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.888 2.847 -1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.498 0.421 0.167 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.511 1.714 -3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.923 -0.871 -1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.935 0.428 -4.730 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.137 -0.864 -3.658 1.00 0.00 H new ATOM 252 N ALA A 38 -4.714 4.781 0.391 1.00 0.00 N ATOM 253 CA ALA A 38 -3.949 6.008 0.244 1.00 0.00 C ATOM 254 C ALA A 38 -3.025 6.183 1.440 1.00 0.00 C ATOM 255 O ALA A 38 -1.873 6.592 1.299 1.00 0.00 O ATOM 256 CB ALA A 38 -4.882 7.202 0.108 1.00 0.00 C ATOM 0 H ALA A 38 -5.725 4.912 0.406 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.345 5.945 -0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.294 8.113 -0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.515 7.071 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.507 7.278 0.998 1.00 0.00 H new ATOM 262 N GLU A 39 -3.538 5.840 2.620 1.00 0.00 N ATOM 263 CA GLU A 39 -2.757 5.929 3.846 1.00 0.00 C ATOM 264 C GLU A 39 -1.700 4.828 3.849 1.00 0.00 C ATOM 265 O GLU A 39 -0.526 5.076 4.121 1.00 0.00 O ATOM 266 CB GLU A 39 -3.682 5.822 5.071 1.00 0.00 C ATOM 267 CG GLU A 39 -3.173 4.907 6.179 1.00 0.00 C ATOM 268 CD GLU A 39 -3.788 5.230 7.527 1.00 0.00 C ATOM 269 OE1 GLU A 39 -4.864 5.864 7.552 1.00 0.00 O ATOM 270 OE2 GLU A 39 -3.193 4.849 8.557 1.00 0.00 O ATOM 0 H GLU A 39 -4.490 5.499 2.750 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.253 6.894 3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.832 6.820 5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.657 5.463 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.394 3.871 5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.089 4.994 6.248 1.00 0.00 H new ATOM 277 N GLN A 40 -2.132 3.614 3.522 1.00 0.00 N ATOM 278 CA GLN A 40 -1.237 2.471 3.460 1.00 0.00 C ATOM 279 C GLN A 40 -0.163 2.710 2.404 1.00 0.00 C ATOM 280 O GLN A 40 1.001 2.360 2.595 1.00 0.00 O ATOM 281 CB GLN A 40 -2.023 1.200 3.133 1.00 0.00 C ATOM 282 CG GLN A 40 -3.147 0.908 4.114 1.00 0.00 C ATOM 283 CD GLN A 40 -2.681 0.095 5.305 1.00 0.00 C ATOM 284 OE1 GLN A 40 -1.483 -0.027 5.558 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.631 -0.465 6.043 1.00 0.00 N ATOM 0 H GLN A 40 -3.103 3.399 3.295 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.758 2.344 4.431 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.442 1.290 2.131 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.337 0.353 3.117 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.573 1.848 4.464 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.943 0.370 3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.612 -0.336 5.795 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.380 -1.024 6.858 1.00 0.00 H new ATOM 294 N SER A 41 -0.565 3.330 1.295 1.00 0.00 N ATOM 295 CA SER A 41 0.360 3.642 0.214 1.00 0.00 C ATOM 296 C SER A 41 1.433 4.587 0.729 1.00 0.00 C ATOM 297 O SER A 41 2.614 4.438 0.422 1.00 0.00 O ATOM 298 CB SER A 41 -0.382 4.277 -0.963 1.00 0.00 C ATOM 299 OG SER A 41 -1.292 3.360 -1.547 1.00 0.00 O ATOM 0 H SER A 41 -1.526 3.625 1.125 1.00 0.00 H new ATOM 0 HA SER A 41 0.824 2.720 -0.135 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.920 5.162 -0.623 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.336 4.609 -1.713 1.00 0.00 H new ATOM 0 HG SER A 41 -2.134 3.370 -1.045 1.00 0.00 H new ATOM 305 N ARG A 42 1.008 5.537 1.553 1.00 0.00 N ATOM 306 CA ARG A 42 1.919 6.486 2.160 1.00 0.00 C ATOM 307 C ARG A 42 2.765 5.743 3.174 1.00 0.00 C ATOM 308 O ARG A 42 3.973 5.937 3.276 1.00 0.00 O ATOM 309 CB ARG A 42 1.117 7.601 2.838 1.00 0.00 C ATOM 310 CG ARG A 42 1.258 7.647 4.351 1.00 0.00 C ATOM 311 CD ARG A 42 0.540 8.849 4.943 1.00 0.00 C ATOM 312 NE ARG A 42 -0.003 8.564 6.269 1.00 0.00 N ATOM 313 CZ ARG A 42 -0.788 9.400 6.943 1.00 0.00 C ATOM 314 NH1 ARG A 42 -1.124 10.573 6.421 1.00 0.00 N ATOM 315 NH2 ARG A 42 -1.240 9.063 8.144 1.00 0.00 N ATOM 0 H ARG A 42 0.031 5.667 1.814 1.00 0.00 H new ATOM 0 HA ARG A 42 2.564 6.939 1.407 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.432 8.560 2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.063 7.478 2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.853 6.732 4.783 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.314 7.686 4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.232 9.689 5.007 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.268 9.152 4.278 1.00 0.00 H new ATOM 0 HE ARG A 42 0.234 7.672 6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.780 10.838 5.498 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.726 11.210 6.943 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.986 8.163 8.551 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.842 9.704 8.661 1.00 0.00 H new ATOM 329 N VAL A 43 2.094 4.873 3.910 1.00 0.00 N ATOM 330 CA VAL A 43 2.738 4.059 4.919 1.00 0.00 C ATOM 331 C VAL A 43 3.852 3.232 4.295 1.00 0.00 C ATOM 332 O VAL A 43 4.987 3.255 4.760 1.00 0.00 O ATOM 333 CB VAL A 43 1.712 3.140 5.606 1.00 0.00 C ATOM 334 CG1 VAL A 43 2.362 1.877 6.145 1.00 0.00 C ATOM 335 CG2 VAL A 43 1.007 3.896 6.713 1.00 0.00 C ATOM 0 H VAL A 43 1.090 4.714 3.823 1.00 0.00 H new ATOM 0 HA VAL A 43 3.170 4.718 5.672 1.00 0.00 H new ATOM 0 HB VAL A 43 0.979 2.831 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.606 1.254 6.623 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.821 1.326 5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.126 2.144 6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.282 3.241 7.196 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.739 4.232 7.448 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.492 4.760 6.293 1.00 0.00 H new ATOM 345 N LEU A 44 3.534 2.517 3.224 1.00 0.00 N ATOM 346 CA LEU A 44 4.538 1.715 2.546 1.00 0.00 C ATOM 347 C LEU A 44 5.739 2.594 2.223 1.00 0.00 C ATOM 348 O LEU A 44 6.873 2.245 2.532 1.00 0.00 O ATOM 349 CB LEU A 44 3.965 1.085 1.266 1.00 0.00 C ATOM 350 CG LEU A 44 4.238 -0.418 1.058 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.487 -0.633 0.217 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.365 -1.158 2.383 1.00 0.00 C ATOM 0 H LEU A 44 2.602 2.477 2.812 1.00 0.00 H new ATOM 0 HA LEU A 44 4.849 0.901 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.886 1.239 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.367 1.627 0.410 1.00 0.00 H new ATOM 0 HG LEU A 44 3.380 -0.828 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.657 -1.701 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.355 -0.164 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.345 -0.188 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.557 -2.214 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.190 -0.737 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.439 -1.054 2.948 1.00 0.00 H new ATOM 364 N GLU A 45 5.479 3.760 1.639 1.00 0.00 N ATOM 365 CA GLU A 45 6.546 4.694 1.315 1.00 0.00 C ATOM 366 C GLU A 45 7.203 5.198 2.599 1.00 0.00 C ATOM 367 O GLU A 45 8.390 5.525 2.617 1.00 0.00 O ATOM 368 CB GLU A 45 6.000 5.857 0.468 1.00 0.00 C ATOM 369 CG GLU A 45 5.714 7.135 1.244 1.00 0.00 C ATOM 370 CD GLU A 45 6.863 8.122 1.185 1.00 0.00 C ATOM 371 OE1 GLU A 45 7.335 8.416 0.066 1.00 0.00 O ATOM 372 OE2 GLU A 45 7.290 8.602 2.256 1.00 0.00 O ATOM 0 H GLU A 45 4.544 4.077 1.383 1.00 0.00 H new ATOM 0 HA GLU A 45 7.305 4.182 0.724 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.718 6.081 -0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.081 5.532 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.815 7.605 0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.507 6.885 2.285 1.00 0.00 H new ATOM 379 N LYS A 46 6.419 5.247 3.676 1.00 0.00 N ATOM 380 CA LYS A 46 6.919 5.696 4.970 1.00 0.00 C ATOM 381 C LYS A 46 7.855 4.649 5.562 1.00 0.00 C ATOM 382 O LYS A 46 8.984 4.954 5.942 1.00 0.00 O ATOM 383 CB LYS A 46 5.748 6.005 5.920 1.00 0.00 C ATOM 384 CG LYS A 46 5.510 4.969 7.018 1.00 0.00 C ATOM 385 CD LYS A 46 4.384 5.384 7.949 1.00 0.00 C ATOM 386 CE LYS A 46 3.997 4.252 8.888 1.00 0.00 C ATOM 387 NZ LYS A 46 4.763 4.302 10.164 1.00 0.00 N ATOM 0 H LYS A 46 5.434 4.980 3.675 1.00 0.00 H new ATOM 0 HA LYS A 46 7.486 6.617 4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.927 6.973 6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.837 6.100 5.329 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.271 4.007 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.426 4.832 7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.692 6.253 8.531 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.516 5.685 7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.930 4.307 9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.174 3.296 8.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.105 4.233 10.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.434 3.508 10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.285 5.200 10.220 1.00 0.00 H new ATOM 401 N GLU A 47 7.386 3.409 5.619 1.00 0.00 N ATOM 402 CA GLU A 47 8.197 2.324 6.141 1.00 0.00 C ATOM 403 C GLU A 47 9.335 2.031 5.177 1.00 0.00 C ATOM 404 O GLU A 47 10.453 1.732 5.590 1.00 0.00 O ATOM 405 CB GLU A 47 7.348 1.067 6.346 1.00 0.00 C ATOM 406 CG GLU A 47 6.456 1.116 7.577 1.00 0.00 C ATOM 407 CD GLU A 47 7.168 1.652 8.804 1.00 0.00 C ATOM 408 OE1 GLU A 47 8.174 1.040 9.220 1.00 0.00 O ATOM 409 OE2 GLU A 47 6.719 2.682 9.349 1.00 0.00 O ATOM 0 H GLU A 47 6.453 3.134 5.311 1.00 0.00 H new ATOM 0 HA GLU A 47 8.606 2.623 7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.725 0.914 5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.009 0.203 6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.588 1.741 7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.083 0.114 7.789 1.00 0.00 H new ATOM 416 N CYS A 48 9.035 2.136 3.887 1.00 0.00 N ATOM 417 CA CYS A 48 10.024 1.895 2.847 1.00 0.00 C ATOM 418 C CYS A 48 11.131 2.940 2.906 1.00 0.00 C ATOM 419 O CYS A 48 12.299 2.627 2.675 1.00 0.00 O ATOM 420 CB CYS A 48 9.363 1.909 1.468 1.00 0.00 C ATOM 421 SG CYS A 48 8.312 0.474 1.140 1.00 0.00 S ATOM 0 H CYS A 48 8.110 2.388 3.537 1.00 0.00 H new ATOM 0 HA CYS A 48 10.464 0.912 3.016 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.764 2.814 1.373 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.140 1.959 0.705 1.00 0.00 H new ATOM 0 HG CYS A 48 8.991 -0.616 1.343 1.00 0.00 H new ATOM 427 N THR A 49 10.767 4.182 3.227 1.00 0.00 N ATOM 428 CA THR A 49 11.759 5.245 3.319 1.00 0.00 C ATOM 429 C THR A 49 12.693 4.990 4.499 1.00 0.00 C ATOM 430 O THR A 49 13.850 5.408 4.491 1.00 0.00 O ATOM 431 CB THR A 49 11.086 6.619 3.443 1.00 0.00 C ATOM 432 OG1 THR A 49 12.012 7.654 3.167 1.00 0.00 O ATOM 433 CG2 THR A 49 10.490 6.896 4.809 1.00 0.00 C ATOM 0 H THR A 49 9.809 4.470 3.424 1.00 0.00 H new ATOM 0 HA THR A 49 12.348 5.247 2.402 1.00 0.00 H new ATOM 0 HB THR A 49 10.274 6.597 2.716 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.566 8.523 3.249 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.034 7.886 4.813 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.731 6.146 5.034 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.275 6.855 5.564 1.00 0.00 H new ATOM 441 N LYS A 50 12.178 4.291 5.509 1.00 0.00 N ATOM 442 CA LYS A 50 12.961 3.969 6.693 1.00 0.00 C ATOM 443 C LYS A 50 13.860 2.759 6.443 1.00 0.00 C ATOM 444 O LYS A 50 14.889 2.598 7.099 1.00 0.00 O ATOM 445 CB LYS A 50 12.031 3.701 7.876 1.00 0.00 C ATOM 446 CG LYS A 50 11.180 4.901 8.254 1.00 0.00 C ATOM 447 CD LYS A 50 9.834 4.479 8.811 1.00 0.00 C ATOM 448 CE LYS A 50 9.985 3.626 10.061 1.00 0.00 C ATOM 449 NZ LYS A 50 9.718 4.406 11.300 1.00 0.00 N ATOM 0 H LYS A 50 11.221 3.938 5.528 1.00 0.00 H new ATOM 0 HA LYS A 50 13.599 4.822 6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.378 2.863 7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.627 3.401 8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.708 5.503 8.994 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.030 5.532 7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.243 5.365 9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.286 3.920 8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.299 2.781 10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.994 3.215 10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.831 3.789 12.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.389 5.198 11.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.747 4.777 11.274 1.00 0.00 H new ATOM 463 N ILE A 51 13.472 1.912 5.488 1.00 0.00 N ATOM 464 CA ILE A 51 14.257 0.725 5.161 1.00 0.00 C ATOM 465 C ILE A 51 15.695 1.103 4.822 1.00 0.00 C ATOM 466 O ILE A 51 15.948 2.128 4.190 1.00 0.00 O ATOM 467 CB ILE A 51 13.646 -0.061 3.976 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.247 -0.578 4.344 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.565 -1.211 3.565 1.00 0.00 C ATOM 470 CD1 ILE A 51 12.257 -1.803 5.230 1.00 0.00 C ATOM 0 H ILE A 51 12.625 2.026 4.932 1.00 0.00 H new ATOM 0 HA ILE A 51 14.245 0.086 6.044 1.00 0.00 H new ATOM 0 HB ILE A 51 13.547 0.612 3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.698 0.218 4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.704 -0.809 3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 51 14.119 -1.753 2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.534 -0.813 3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.698 -1.889 4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.232 -2.105 5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.776 -2.615 4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.770 -1.573 6.164 1.00 0.00 H new ATOM 482 N GLY A 52 16.632 0.265 5.248 1.00 0.00 N ATOM 483 CA GLY A 52 18.036 0.520 4.985 1.00 0.00 C ATOM 484 C GLY A 52 18.467 1.913 5.402 1.00 0.00 C ATOM 485 O GLY A 52 19.355 2.504 4.788 1.00 0.00 O ATOM 0 H GLY A 52 16.444 -0.589 5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 52 18.640 -0.216 5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.232 0.387 3.921 1.00 0.00 H new ATOM 489 N SER A 53 17.835 2.440 6.446 1.00 0.00 N ATOM 490 CA SER A 53 18.162 3.776 6.935 1.00 0.00 C ATOM 491 C SER A 53 18.419 3.764 8.440 1.00 0.00 C ATOM 492 O SER A 53 17.743 4.457 9.199 1.00 0.00 O ATOM 493 CB SER A 53 17.030 4.751 6.604 1.00 0.00 C ATOM 494 OG SER A 53 17.540 6.030 6.269 1.00 0.00 O ATOM 0 H SER A 53 17.098 1.966 6.968 1.00 0.00 H new ATOM 0 HA SER A 53 19.074 4.104 6.437 1.00 0.00 H new ATOM 0 HB2 SER A 53 16.442 4.362 5.773 1.00 0.00 H new ATOM 0 HB3 SER A 53 16.358 4.836 7.458 1.00 0.00 H new ATOM 0 HG SER A 53 16.797 6.634 6.060 1.00 0.00 H new ATOM 500 N LYS A 54 19.403 2.973 8.862 1.00 0.00 N ATOM 501 CA LYS A 54 19.755 2.866 10.277 1.00 0.00 C ATOM 502 C LYS A 54 18.634 2.195 11.065 1.00 0.00 C ATOM 503 O LYS A 54 18.798 1.087 11.575 1.00 0.00 O ATOM 504 CB LYS A 54 20.054 4.247 10.865 1.00 0.00 C ATOM 505 CG LYS A 54 21.139 5.005 10.119 1.00 0.00 C ATOM 506 CD LYS A 54 22.511 4.750 10.722 1.00 0.00 C ATOM 507 CE LYS A 54 22.714 5.544 12.002 1.00 0.00 C ATOM 508 NZ LYS A 54 22.196 4.818 13.195 1.00 0.00 N ATOM 0 H LYS A 54 19.972 2.395 8.243 1.00 0.00 H new ATOM 0 HA LYS A 54 20.651 2.251 10.354 1.00 0.00 H new ATOM 0 HB2 LYS A 54 19.140 4.840 10.860 1.00 0.00 H new ATOM 0 HB3 LYS A 54 20.354 4.132 11.907 1.00 0.00 H new ATOM 0 HG2 LYS A 54 21.139 4.705 9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 54 20.922 6.073 10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 54 22.626 3.686 10.931 1.00 0.00 H new ATOM 0 HD3 LYS A 54 23.282 5.018 10.000 1.00 0.00 H new ATOM 0 HE2 LYS A 54 23.776 5.751 12.136 1.00 0.00 H new ATOM 0 HE3 LYS A 54 22.210 6.507 11.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 22.825 4.989 14.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 21.240 5.159 13.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 22.161 3.798 12.993 1.00 0.00 H new ATOM 522 N ARG A 55 17.494 2.872 11.154 1.00 0.00 N ATOM 523 CA ARG A 55 16.339 2.349 11.870 1.00 0.00 C ATOM 524 C ARG A 55 16.004 0.938 11.407 1.00 0.00 C ATOM 525 O ARG A 55 15.777 0.044 12.223 1.00 0.00 O ATOM 526 CB ARG A 55 15.141 3.262 11.639 1.00 0.00 C ATOM 527 CG ARG A 55 14.891 3.581 10.174 1.00 0.00 C ATOM 528 CD ARG A 55 14.401 5.008 9.991 1.00 0.00 C ATOM 529 NE ARG A 55 15.490 5.923 9.659 1.00 0.00 N ATOM 530 CZ ARG A 55 15.371 7.249 9.661 1.00 0.00 C ATOM 531 NH1 ARG A 55 14.214 7.818 9.977 1.00 0.00 N ATOM 532 NH2 ARG A 55 16.411 8.009 9.347 1.00 0.00 N ATOM 0 H ARG A 55 17.346 3.790 10.736 1.00 0.00 H new ATOM 0 HA ARG A 55 16.578 2.314 12.933 1.00 0.00 H new ATOM 0 HB2 ARG A 55 14.251 2.792 12.057 1.00 0.00 H new ATOM 0 HB3 ARG A 55 15.295 4.194 12.184 1.00 0.00 H new ATOM 0 HG2 ARG A 55 15.810 3.435 9.607 1.00 0.00 H new ATOM 0 HG3 ARG A 55 14.154 2.887 9.770 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.651 5.035 9.200 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.912 5.343 10.906 1.00 0.00 H new ATOM 0 HE ARG A 55 16.395 5.523 9.411 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.410 7.239 10.220 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.129 8.834 9.977 1.00 0.00 H new ATOM 0 HH21 ARG A 55 17.303 7.578 9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.319 9.025 9.349 1.00 0.00 H new ATOM 546 N ASP A 56 15.975 0.763 10.086 1.00 0.00 N ATOM 547 CA ASP A 56 15.669 -0.527 9.454 1.00 0.00 C ATOM 548 C ASP A 56 15.873 -1.703 10.410 1.00 0.00 C ATOM 549 O ASP A 56 16.983 -1.950 10.880 1.00 0.00 O ATOM 550 CB ASP A 56 16.541 -0.714 8.211 1.00 0.00 C ATOM 551 CG ASP A 56 18.015 -0.835 8.548 1.00 0.00 C ATOM 552 OD1 ASP A 56 18.503 -0.039 9.376 1.00 0.00 O ATOM 553 OD2 ASP A 56 18.682 -1.727 7.981 1.00 0.00 O ATOM 0 H ASP A 56 16.163 1.512 9.419 1.00 0.00 H new ATOM 0 HA ASP A 56 14.616 -0.512 9.173 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.219 -1.608 7.677 1.00 0.00 H new ATOM 0 HB3 ASP A 56 16.394 0.130 7.538 1.00 0.00 H new ATOM 558 N SER A 57 14.791 -2.420 10.692 1.00 0.00 N ATOM 559 CA SER A 57 14.844 -3.566 11.591 1.00 0.00 C ATOM 560 C SER A 57 13.963 -4.697 11.074 1.00 0.00 C ATOM 561 O SER A 57 12.991 -4.461 10.358 1.00 0.00 O ATOM 562 CB SER A 57 14.401 -3.160 12.998 1.00 0.00 C ATOM 563 OG SER A 57 13.542 -2.034 12.957 1.00 0.00 O ATOM 0 H SER A 57 13.865 -2.227 10.310 1.00 0.00 H new ATOM 0 HA SER A 57 15.874 -3.919 11.632 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.889 -3.995 13.476 1.00 0.00 H new ATOM 0 HB3 SER A 57 15.276 -2.932 13.607 1.00 0.00 H new ATOM 0 HG SER A 57 14.067 -1.229 12.766 1.00 0.00 H new ATOM 569 N LYS A 58 14.306 -5.927 11.441 1.00 0.00 N ATOM 570 CA LYS A 58 13.546 -7.096 11.012 1.00 0.00 C ATOM 571 C LYS A 58 12.058 -6.898 11.259 1.00 0.00 C ATOM 572 O LYS A 58 11.225 -7.257 10.430 1.00 0.00 O ATOM 573 CB LYS A 58 14.030 -8.342 11.752 1.00 0.00 C ATOM 574 CG LYS A 58 15.506 -8.639 11.543 1.00 0.00 C ATOM 575 CD LYS A 58 15.978 -9.774 12.438 1.00 0.00 C ATOM 576 CE LYS A 58 17.322 -10.319 11.983 1.00 0.00 C ATOM 577 NZ LYS A 58 17.414 -11.794 12.162 1.00 0.00 N ATOM 0 H LYS A 58 15.107 -6.141 12.036 1.00 0.00 H new ATOM 0 HA LYS A 58 13.706 -7.228 9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.840 -8.218 12.818 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.445 -9.200 11.422 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.681 -8.900 10.499 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.091 -7.743 11.750 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.057 -9.420 13.466 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.239 -10.575 12.433 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.478 -10.071 10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.119 -9.835 12.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.346 -12.125 11.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.291 -12.030 13.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.669 -12.259 11.604 1.00 0.00 H new ATOM 591 N GLU A 59 11.734 -6.323 12.406 1.00 0.00 N ATOM 592 CA GLU A 59 10.344 -6.074 12.762 1.00 0.00 C ATOM 593 C GLU A 59 9.677 -5.175 11.727 1.00 0.00 C ATOM 594 O GLU A 59 8.481 -5.298 11.463 1.00 0.00 O ATOM 595 CB GLU A 59 10.251 -5.441 14.152 1.00 0.00 C ATOM 596 CG GLU A 59 9.893 -6.432 15.249 1.00 0.00 C ATOM 597 CD GLU A 59 8.594 -6.085 15.951 1.00 0.00 C ATOM 598 OE1 GLU A 59 7.526 -6.205 15.315 1.00 0.00 O ATOM 599 OE2 GLU A 59 8.646 -5.693 17.135 1.00 0.00 O ATOM 0 H GLU A 59 12.412 -6.020 13.106 1.00 0.00 H new ATOM 0 HA GLU A 59 9.820 -7.030 12.779 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.205 -4.973 14.394 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.503 -4.648 14.132 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.813 -7.430 14.819 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.700 -6.464 15.981 1.00 0.00 H new ATOM 606 N LEU A 60 10.459 -4.279 11.134 1.00 0.00 N ATOM 607 CA LEU A 60 9.939 -3.374 10.120 1.00 0.00 C ATOM 608 C LEU A 60 9.616 -4.147 8.845 1.00 0.00 C ATOM 609 O LEU A 60 8.472 -4.157 8.391 1.00 0.00 O ATOM 610 CB LEU A 60 10.946 -2.245 9.842 1.00 0.00 C ATOM 611 CG LEU A 60 11.101 -1.827 8.374 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.753 -1.448 7.776 1.00 0.00 C ATOM 613 CD2 LEU A 60 12.083 -0.672 8.252 1.00 0.00 C ATOM 0 H LEU A 60 11.451 -4.162 11.338 1.00 0.00 H new ATOM 0 HA LEU A 60 9.019 -2.920 10.488 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.648 -1.369 10.419 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.922 -2.556 10.215 1.00 0.00 H new ATOM 0 HG LEU A 60 11.494 -2.676 7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.886 -1.155 6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.078 -2.302 7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.328 -0.615 8.336 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.182 -0.387 7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.717 0.179 8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.055 -0.979 8.638 1.00 0.00 H new ATOM 625 N ARG A 61 10.625 -4.801 8.271 1.00 0.00 N ATOM 626 CA ARG A 61 10.418 -5.575 7.053 1.00 0.00 C ATOM 627 C ARG A 61 9.363 -6.648 7.287 1.00 0.00 C ATOM 628 O ARG A 61 8.621 -7.010 6.374 1.00 0.00 O ATOM 629 CB ARG A 61 11.724 -6.207 6.555 1.00 0.00 C ATOM 630 CG ARG A 61 12.662 -6.650 7.662 1.00 0.00 C ATOM 631 CD ARG A 61 13.800 -5.660 7.860 1.00 0.00 C ATOM 632 NE ARG A 61 14.481 -5.335 6.610 1.00 0.00 N ATOM 633 CZ ARG A 61 15.248 -6.188 5.933 1.00 0.00 C ATOM 634 NH1 ARG A 61 15.396 -7.439 6.349 1.00 0.00 N ATOM 635 NH2 ARG A 61 15.870 -5.787 4.834 1.00 0.00 N ATOM 0 H ARG A 61 11.581 -4.810 8.626 1.00 0.00 H new ATOM 0 HA ARG A 61 10.068 -4.892 6.279 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.483 -7.068 5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.243 -5.489 5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.104 -6.755 8.592 1.00 0.00 H new ATOM 0 HG3 ARG A 61 13.070 -7.632 7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.408 -4.745 8.305 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.520 -6.075 8.565 1.00 0.00 H new ATOM 0 HE ARG A 61 14.362 -4.395 6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.920 -7.755 7.194 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.985 -8.085 5.824 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.761 -4.827 4.508 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.458 -6.439 4.314 1.00 0.00 H new ATOM 649 N TYR A 62 9.276 -7.136 8.525 1.00 0.00 N ATOM 650 CA TYR A 62 8.279 -8.139 8.866 1.00 0.00 C ATOM 651 C TYR A 62 6.908 -7.484 8.891 1.00 0.00 C ATOM 652 O TYR A 62 5.975 -7.943 8.241 1.00 0.00 O ATOM 653 CB TYR A 62 8.585 -8.780 10.222 1.00 0.00 C ATOM 654 CG TYR A 62 9.183 -10.165 10.115 1.00 0.00 C ATOM 655 CD1 TYR A 62 8.371 -11.283 9.976 1.00 0.00 C ATOM 656 CD2 TYR A 62 10.559 -10.353 10.154 1.00 0.00 C ATOM 657 CE1 TYR A 62 8.913 -12.550 9.879 1.00 0.00 C ATOM 658 CE2 TYR A 62 11.108 -11.618 10.057 1.00 0.00 C ATOM 659 CZ TYR A 62 10.281 -12.713 9.920 1.00 0.00 C ATOM 660 OH TYR A 62 10.824 -13.973 9.823 1.00 0.00 O ATOM 0 H TYR A 62 9.879 -6.854 9.298 1.00 0.00 H new ATOM 0 HA TYR A 62 8.298 -8.928 8.115 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.273 -8.138 10.771 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.665 -8.834 10.805 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.299 -11.160 9.943 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.210 -9.498 10.262 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.267 -13.409 9.771 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.180 -11.748 10.088 1.00 0.00 H new ATOM 0 HH TYR A 62 11.801 -13.912 9.868 1.00 0.00 H new ATOM 670 N LYS A 63 6.808 -6.384 9.626 1.00 0.00 N ATOM 671 CA LYS A 63 5.563 -5.635 9.716 1.00 0.00 C ATOM 672 C LYS A 63 5.150 -5.158 8.327 1.00 0.00 C ATOM 673 O LYS A 63 3.964 -5.055 8.014 1.00 0.00 O ATOM 674 CB LYS A 63 5.743 -4.442 10.665 1.00 0.00 C ATOM 675 CG LYS A 63 4.638 -3.398 10.583 1.00 0.00 C ATOM 676 CD LYS A 63 5.125 -2.037 11.053 1.00 0.00 C ATOM 677 CE LYS A 63 6.139 -1.442 10.089 1.00 0.00 C ATOM 678 NZ LYS A 63 7.270 -0.792 10.807 1.00 0.00 N ATOM 0 H LYS A 63 7.576 -5.991 10.169 1.00 0.00 H new ATOM 0 HA LYS A 63 4.778 -6.279 10.112 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.800 -4.813 11.688 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.697 -3.961 10.447 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.281 -3.324 9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.791 -3.714 11.193 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.276 -1.361 11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.574 -2.132 12.042 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.525 -2.226 9.438 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.646 -0.710 9.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.895 -0.325 10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.898 -0.085 11.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.808 -1.511 11.331 1.00 0.00 H new ATOM 692 N ILE A 64 6.146 -4.865 7.501 1.00 0.00 N ATOM 693 CA ILE A 64 5.913 -4.395 6.150 1.00 0.00 C ATOM 694 C ILE A 64 5.339 -5.499 5.257 1.00 0.00 C ATOM 695 O ILE A 64 4.312 -5.311 4.605 1.00 0.00 O ATOM 696 CB ILE A 64 7.231 -3.850 5.547 1.00 0.00 C ATOM 697 CG1 ILE A 64 7.198 -2.322 5.507 1.00 0.00 C ATOM 698 CG2 ILE A 64 7.498 -4.418 4.161 1.00 0.00 C ATOM 699 CD1 ILE A 64 8.326 -1.699 4.709 1.00 0.00 C ATOM 0 H ILE A 64 7.132 -4.947 7.751 1.00 0.00 H new ATOM 0 HA ILE A 64 5.176 -3.593 6.197 1.00 0.00 H new ATOM 0 HB ILE A 64 8.050 -4.172 6.190 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.247 -2.001 5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.236 -1.942 6.528 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.432 -4.010 3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.574 -5.504 4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.680 -4.148 3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.230 -0.613 4.730 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.283 -1.987 5.145 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.278 -2.048 3.677 1.00 0.00 H new ATOM 711 N GLU A 65 6.024 -6.637 5.210 1.00 0.00 N ATOM 712 CA GLU A 65 5.598 -7.753 4.369 1.00 0.00 C ATOM 713 C GLU A 65 4.524 -8.612 5.033 1.00 0.00 C ATOM 714 O GLU A 65 3.765 -9.295 4.349 1.00 0.00 O ATOM 715 CB GLU A 65 6.803 -8.623 4.010 1.00 0.00 C ATOM 716 CG GLU A 65 7.766 -7.959 3.039 1.00 0.00 C ATOM 717 CD GLU A 65 7.784 -8.634 1.681 1.00 0.00 C ATOM 718 OE1 GLU A 65 6.758 -8.569 0.972 1.00 0.00 O ATOM 719 OE2 GLU A 65 8.825 -9.227 1.326 1.00 0.00 O ATOM 0 H GLU A 65 6.876 -6.812 5.743 1.00 0.00 H new ATOM 0 HA GLU A 65 5.160 -7.326 3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.340 -8.879 4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.449 -9.558 3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.488 -6.912 2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.771 -7.975 3.462 1.00 0.00 H new ATOM 726 N THR A 66 4.478 -8.605 6.360 1.00 0.00 N ATOM 727 CA THR A 66 3.513 -9.409 7.086 1.00 0.00 C ATOM 728 C THR A 66 2.337 -8.583 7.610 1.00 0.00 C ATOM 729 O THR A 66 1.383 -9.143 8.151 1.00 0.00 O ATOM 730 CB THR A 66 4.205 -10.115 8.251 1.00 0.00 C ATOM 731 OG1 THR A 66 4.306 -9.258 9.374 1.00 0.00 O ATOM 732 CG2 THR A 66 5.597 -10.616 7.922 1.00 0.00 C ATOM 0 H THR A 66 5.098 -8.051 6.951 1.00 0.00 H new ATOM 0 HA THR A 66 3.109 -10.141 6.386 1.00 0.00 H new ATOM 0 HB THR A 66 3.576 -10.978 8.470 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.660 -8.389 9.092 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.024 -11.105 8.797 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.542 -11.328 7.099 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.227 -9.775 7.633 1.00 0.00 H new ATOM 740 N GLU A 67 2.397 -7.259 7.468 1.00 0.00 N ATOM 741 CA GLU A 67 1.312 -6.411 7.958 1.00 0.00 C ATOM 742 C GLU A 67 0.954 -5.291 6.974 1.00 0.00 C ATOM 743 O GLU A 67 -0.225 -5.027 6.741 1.00 0.00 O ATOM 744 CB GLU A 67 1.676 -5.839 9.339 1.00 0.00 C ATOM 745 CG GLU A 67 1.364 -4.358 9.516 1.00 0.00 C ATOM 746 CD GLU A 67 1.356 -3.934 10.972 1.00 0.00 C ATOM 747 OE1 GLU A 67 1.894 -4.685 11.813 1.00 0.00 O ATOM 748 OE2 GLU A 67 0.812 -2.850 11.272 1.00 0.00 O ATOM 0 H GLU A 67 3.169 -6.759 7.027 1.00 0.00 H new ATOM 0 HA GLU A 67 0.423 -7.034 8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.142 -6.403 10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.741 -5.996 9.513 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.102 -3.768 8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.393 -4.139 9.072 1.00 0.00 H new ATOM 755 N LEU A 68 1.958 -4.621 6.412 1.00 0.00 N ATOM 756 CA LEU A 68 1.695 -3.526 5.478 1.00 0.00 C ATOM 757 C LEU A 68 1.231 -4.046 4.118 1.00 0.00 C ATOM 758 O LEU A 68 0.030 -4.152 3.871 1.00 0.00 O ATOM 759 CB LEU A 68 2.931 -2.634 5.314 1.00 0.00 C ATOM 760 CG LEU A 68 3.303 -1.793 6.540 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.338 -0.741 6.169 1.00 0.00 C ATOM 762 CD2 LEU A 68 2.068 -1.135 7.141 1.00 0.00 C ATOM 0 H LEU A 68 2.945 -4.812 6.582 1.00 0.00 H new ATOM 0 HA LEU A 68 0.889 -2.927 5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.782 -3.265 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.764 -1.963 4.471 1.00 0.00 H new ATOM 0 HG LEU A 68 3.734 -2.457 7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.591 -0.153 7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.235 -1.231 5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.930 -0.085 5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.357 -0.544 8.010 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.604 -0.486 6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.358 -1.904 7.446 1.00 0.00 H new ATOM 774 N ILE A 69 2.185 -4.357 3.235 1.00 0.00 N ATOM 775 CA ILE A 69 1.873 -4.852 1.893 1.00 0.00 C ATOM 776 C ILE A 69 0.630 -5.750 1.885 1.00 0.00 C ATOM 777 O ILE A 69 -0.313 -5.501 1.135 1.00 0.00 O ATOM 778 CB ILE A 69 3.078 -5.611 1.284 1.00 0.00 C ATOM 779 CG1 ILE A 69 4.040 -4.623 0.622 1.00 0.00 C ATOM 780 CG2 ILE A 69 2.621 -6.661 0.277 1.00 0.00 C ATOM 781 CD1 ILE A 69 5.489 -4.846 0.994 1.00 0.00 C ATOM 0 H ILE A 69 3.183 -4.274 3.428 1.00 0.00 H new ATOM 0 HA ILE A 69 1.659 -3.978 1.279 1.00 0.00 H new ATOM 0 HB ILE A 69 3.596 -6.127 2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.936 -4.698 -0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.754 -3.609 0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.490 -7.176 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.972 -7.383 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.073 -6.176 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.112 -4.109 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.608 -4.742 2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.793 -5.848 0.690 1.00 0.00 H new ATOM 793 N PRO A 70 0.605 -6.801 2.722 1.00 0.00 N ATOM 794 CA PRO A 70 -0.539 -7.712 2.793 1.00 0.00 C ATOM 795 C PRO A 70 -1.851 -6.958 2.926 1.00 0.00 C ATOM 796 O PRO A 70 -2.835 -7.272 2.260 1.00 0.00 O ATOM 797 CB PRO A 70 -0.277 -8.525 4.059 1.00 0.00 C ATOM 798 CG PRO A 70 1.196 -8.475 4.256 1.00 0.00 C ATOM 799 CD PRO A 70 1.675 -7.177 3.662 1.00 0.00 C ATOM 0 HA PRO A 70 -0.632 -8.320 1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.803 -8.102 4.915 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.625 -9.552 3.947 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.446 -8.530 5.316 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.679 -9.323 3.771 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.819 -6.416 4.429 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.630 -7.300 3.152 1.00 0.00 H new ATOM 807 N ASN A 71 -1.849 -5.960 3.800 1.00 0.00 N ATOM 808 CA ASN A 71 -3.036 -5.148 4.041 1.00 0.00 C ATOM 809 C ASN A 71 -3.267 -4.158 2.904 1.00 0.00 C ATOM 810 O ASN A 71 -4.404 -3.932 2.491 1.00 0.00 O ATOM 811 CB ASN A 71 -2.907 -4.399 5.368 1.00 0.00 C ATOM 812 CG ASN A 71 -3.381 -5.227 6.546 1.00 0.00 C ATOM 813 OD1 ASN A 71 -4.395 -5.919 6.466 1.00 0.00 O ATOM 814 ND2 ASN A 71 -2.646 -5.160 7.650 1.00 0.00 N ATOM 0 H ASN A 71 -1.037 -5.692 4.356 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.895 -5.817 4.090 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.866 -4.115 5.522 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.485 -3.476 5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.915 -5.696 8.475 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.812 -4.573 7.673 1.00 0.00 H new ATOM 821 N CYS A 72 -2.187 -3.571 2.397 1.00 0.00 N ATOM 822 CA CYS A 72 -2.292 -2.610 1.305 1.00 0.00 C ATOM 823 C CYS A 72 -2.870 -3.281 0.069 1.00 0.00 C ATOM 824 O CYS A 72 -3.865 -2.820 -0.491 1.00 0.00 O ATOM 825 CB CYS A 72 -0.926 -1.993 0.975 1.00 0.00 C ATOM 826 SG CYS A 72 0.113 -1.642 2.413 1.00 0.00 S ATOM 0 H CYS A 72 -1.236 -3.742 2.722 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.959 -1.810 1.625 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.388 -2.670 0.312 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.085 -1.066 0.424 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.214 -2.436 3.389 1.00 0.00 H new ATOM 832 N THR A 73 -2.252 -4.379 -0.347 1.00 0.00 N ATOM 833 CA THR A 73 -2.724 -5.113 -1.509 1.00 0.00 C ATOM 834 C THR A 73 -4.088 -5.726 -1.214 1.00 0.00 C ATOM 835 O THR A 73 -4.992 -5.681 -2.047 1.00 0.00 O ATOM 836 CB THR A 73 -1.717 -6.193 -1.911 1.00 0.00 C ATOM 837 OG1 THR A 73 -1.894 -6.563 -3.267 1.00 0.00 O ATOM 838 CG2 THR A 73 -1.817 -7.449 -1.077 1.00 0.00 C ATOM 0 H THR A 73 -1.427 -4.778 0.102 1.00 0.00 H new ATOM 0 HA THR A 73 -2.825 -4.422 -2.346 1.00 0.00 H new ATOM 0 HB THR A 73 -0.736 -5.746 -1.746 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.240 -7.253 -3.506 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.075 -8.171 -1.417 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.635 -7.206 -0.030 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.814 -7.877 -1.182 1.00 0.00 H new ATOM 846 N SER A 74 -4.249 -6.272 -0.009 1.00 0.00 N ATOM 847 CA SER A 74 -5.527 -6.851 0.385 1.00 0.00 C ATOM 848 C SER A 74 -6.609 -5.789 0.262 1.00 0.00 C ATOM 849 O SER A 74 -7.766 -6.085 -0.036 1.00 0.00 O ATOM 850 CB SER A 74 -5.468 -7.382 1.818 1.00 0.00 C ATOM 851 OG SER A 74 -6.767 -7.662 2.312 1.00 0.00 O ATOM 0 H SER A 74 -3.519 -6.324 0.701 1.00 0.00 H new ATOM 0 HA SER A 74 -5.756 -7.690 -0.272 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.861 -8.287 1.849 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.981 -6.649 2.461 1.00 0.00 H new ATOM 0 HG SER A 74 -6.702 -8.001 3.229 1.00 0.00 H new ATOM 857 N VAL A 75 -6.203 -4.538 0.470 1.00 0.00 N ATOM 858 CA VAL A 75 -7.103 -3.407 0.362 1.00 0.00 C ATOM 859 C VAL A 75 -7.451 -3.169 -1.110 1.00 0.00 C ATOM 860 O VAL A 75 -8.536 -2.685 -1.433 1.00 0.00 O ATOM 861 CB VAL A 75 -6.464 -2.148 1.008 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.413 -0.966 0.054 1.00 0.00 C ATOM 863 CG2 VAL A 75 -7.196 -1.770 2.286 1.00 0.00 C ATOM 0 H VAL A 75 -5.245 -4.288 0.716 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.026 -3.620 0.902 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.433 -2.406 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.957 -0.113 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.820 -1.231 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.425 -0.706 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.732 -0.885 2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.240 -1.557 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.141 -2.596 2.995 1.00 0.00 H new ATOM 873 N ARG A 76 -6.529 -3.546 -1.999 1.00 0.00 N ATOM 874 CA ARG A 76 -6.745 -3.411 -3.435 1.00 0.00 C ATOM 875 C ARG A 76 -7.849 -4.359 -3.873 1.00 0.00 C ATOM 876 O ARG A 76 -8.856 -3.939 -4.436 1.00 0.00 O ATOM 877 CB ARG A 76 -5.468 -3.741 -4.211 1.00 0.00 C ATOM 878 CG ARG A 76 -4.343 -2.739 -4.023 1.00 0.00 C ATOM 879 CD ARG A 76 -3.064 -3.218 -4.693 1.00 0.00 C ATOM 880 NE ARG A 76 -3.305 -3.703 -6.049 1.00 0.00 N ATOM 881 CZ ARG A 76 -2.409 -4.379 -6.764 1.00 0.00 C ATOM 882 NH1 ARG A 76 -1.214 -4.654 -6.256 1.00 0.00 N ATOM 883 NH2 ARG A 76 -2.708 -4.782 -7.991 1.00 0.00 N ATOM 0 H ARG A 76 -5.626 -3.947 -1.746 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.028 -2.380 -3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.116 -4.726 -3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.708 -3.804 -5.272 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.637 -1.776 -4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.164 -2.584 -2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.343 -2.401 -4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.619 -4.015 -4.097 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.213 -3.513 -6.473 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.978 -4.347 -5.312 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.532 -5.173 -6.809 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.625 -4.574 -8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.021 -5.300 -8.539 1.00 0.00 H new ATOM 897 N ASP A 77 -7.649 -5.649 -3.597 1.00 0.00 N ATOM 898 CA ASP A 77 -8.628 -6.672 -3.950 1.00 0.00 C ATOM 899 C ASP A 77 -10.023 -6.237 -3.520 1.00 0.00 C ATOM 900 O ASP A 77 -11.008 -6.483 -4.216 1.00 0.00 O ATOM 901 CB ASP A 77 -8.264 -8.007 -3.295 1.00 0.00 C ATOM 902 CG ASP A 77 -7.917 -9.075 -4.313 1.00 0.00 C ATOM 903 OD1 ASP A 77 -7.507 -8.714 -5.436 1.00 0.00 O ATOM 904 OD2 ASP A 77 -8.056 -10.273 -3.988 1.00 0.00 O ATOM 0 H ASP A 77 -6.816 -6.008 -3.130 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.620 -6.802 -5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.418 -7.860 -2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.100 -8.349 -2.684 1.00 0.00 H new ATOM 909 N LYS A 78 -10.091 -5.569 -2.373 1.00 0.00 N ATOM 910 CA LYS A 78 -11.356 -5.074 -1.855 1.00 0.00 C ATOM 911 C LYS A 78 -11.899 -3.993 -2.779 1.00 0.00 C ATOM 912 O LYS A 78 -13.092 -3.956 -3.085 1.00 0.00 O ATOM 913 CB LYS A 78 -11.166 -4.520 -0.439 1.00 0.00 C ATOM 914 CG LYS A 78 -11.294 -5.574 0.649 1.00 0.00 C ATOM 915 CD LYS A 78 -12.123 -5.070 1.820 1.00 0.00 C ATOM 916 CE LYS A 78 -11.298 -4.193 2.749 1.00 0.00 C ATOM 917 NZ LYS A 78 -10.496 -4.999 3.711 1.00 0.00 N ATOM 0 H LYS A 78 -9.283 -5.359 -1.786 1.00 0.00 H new ATOM 0 HA LYS A 78 -12.072 -5.895 -1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.183 -4.055 -0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.903 -3.736 -0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.755 -6.471 0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.302 -5.858 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.977 -4.504 1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.522 -5.918 2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.631 -3.565 2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.960 -3.525 3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.949 -4.363 4.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.133 -5.579 4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.845 -5.619 3.187 1.00 0.00 H new ATOM 931 N ILE A 79 -11.002 -3.128 -3.235 1.00 0.00 N ATOM 932 CA ILE A 79 -11.362 -2.052 -4.144 1.00 0.00 C ATOM 933 C ILE A 79 -11.664 -2.614 -5.528 1.00 0.00 C ATOM 934 O ILE A 79 -12.641 -2.228 -6.169 1.00 0.00 O ATOM 935 CB ILE A 79 -10.222 -1.015 -4.240 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.132 -0.211 -2.943 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.416 -0.091 -5.434 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.777 0.423 -2.716 1.00 0.00 C ATOM 0 H ILE A 79 -10.013 -3.153 -2.987 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.252 -1.558 -3.754 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.284 -1.551 -4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.892 0.570 -2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.363 -0.866 -2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.598 0.628 -5.475 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.428 -0.680 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.362 0.441 -5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.787 0.977 -1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.015 -0.355 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.552 1.104 -3.537 1.00 0.00 H new ATOM 950 N GLU A 80 -10.819 -3.535 -5.976 1.00 0.00 N ATOM 951 CA GLU A 80 -10.994 -4.162 -7.275 1.00 0.00 C ATOM 952 C GLU A 80 -12.244 -5.032 -7.275 1.00 0.00 C ATOM 953 O GLU A 80 -12.925 -5.159 -8.293 1.00 0.00 O ATOM 954 CB GLU A 80 -9.767 -5.004 -7.632 1.00 0.00 C ATOM 955 CG GLU A 80 -8.467 -4.217 -7.630 1.00 0.00 C ATOM 956 CD GLU A 80 -7.307 -5.006 -8.206 1.00 0.00 C ATOM 957 OE1 GLU A 80 -7.173 -5.043 -9.447 1.00 0.00 O ATOM 958 OE2 GLU A 80 -6.534 -5.586 -7.415 1.00 0.00 O ATOM 0 H GLU A 80 -10.005 -3.863 -5.456 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.109 -3.379 -8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.684 -5.828 -6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.914 -5.445 -8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.600 -3.301 -8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.228 -3.920 -6.609 1.00 0.00 H new ATOM 965 N SER A 81 -12.550 -5.620 -6.119 1.00 0.00 N ATOM 966 CA SER A 81 -13.730 -6.463 -5.987 1.00 0.00 C ATOM 967 C SER A 81 -14.983 -5.643 -6.254 1.00 0.00 C ATOM 968 O SER A 81 -15.949 -6.130 -6.842 1.00 0.00 O ATOM 969 CB SER A 81 -13.792 -7.081 -4.588 1.00 0.00 C ATOM 970 OG SER A 81 -13.229 -8.381 -4.579 1.00 0.00 O ATOM 0 H SER A 81 -11.998 -5.527 -5.266 1.00 0.00 H new ATOM 0 HA SER A 81 -13.669 -7.269 -6.718 1.00 0.00 H new ATOM 0 HB2 SER A 81 -13.258 -6.445 -3.882 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.828 -7.128 -4.253 1.00 0.00 H new ATOM 0 HG SER A 81 -12.261 -8.317 -4.442 1.00 0.00 H new ATOM 976 N ASN A 82 -14.948 -4.386 -5.825 1.00 0.00 N ATOM 977 CA ASN A 82 -16.067 -3.476 -6.022 1.00 0.00 C ATOM 978 C ASN A 82 -16.111 -2.997 -7.471 1.00 0.00 C ATOM 979 O ASN A 82 -15.413 -2.055 -7.844 1.00 0.00 O ATOM 980 CB ASN A 82 -15.933 -2.284 -5.075 1.00 0.00 C ATOM 981 CG ASN A 82 -17.227 -1.517 -4.913 1.00 0.00 C ATOM 982 OD1 ASN A 82 -18.293 -2.101 -4.718 1.00 0.00 O ATOM 983 ND2 ASN A 82 -17.136 -0.197 -4.996 1.00 0.00 N ATOM 0 H ASN A 82 -14.153 -3.974 -5.337 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.996 -4.002 -5.804 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.600 -2.637 -4.099 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.162 -1.612 -5.451 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.972 0.379 -4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.230 0.243 -5.159 1.00 0.00 H new ATOM 990 N ILE A 83 -16.924 -3.665 -8.287 1.00 0.00 N ATOM 991 CA ILE A 83 -17.048 -3.325 -9.703 1.00 0.00 C ATOM 992 C ILE A 83 -17.178 -1.822 -9.927 1.00 0.00 C ATOM 993 O ILE A 83 -16.761 -1.304 -10.963 1.00 0.00 O ATOM 994 CB ILE A 83 -18.256 -4.034 -10.351 1.00 0.00 C ATOM 995 CG1 ILE A 83 -18.206 -3.885 -11.874 1.00 0.00 C ATOM 996 CG2 ILE A 83 -19.561 -3.473 -9.803 1.00 0.00 C ATOM 997 CD1 ILE A 83 -16.897 -4.337 -12.487 1.00 0.00 C ATOM 0 H ILE A 83 -17.508 -4.447 -7.991 1.00 0.00 H new ATOM 0 HA ILE A 83 -16.128 -3.670 -10.175 1.00 0.00 H new ATOM 0 HB ILE A 83 -18.208 -5.095 -10.105 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -19.021 -4.460 -12.313 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -18.377 -2.840 -12.134 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -20.402 -3.985 -10.271 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -19.598 -3.626 -8.724 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -19.618 -2.406 -10.021 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -16.936 -4.202 -13.568 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -16.079 -3.745 -12.076 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -16.733 -5.390 -12.259 1.00 0.00 H new ATOM 1009 N LEU A 84 -17.755 -1.122 -8.956 1.00 0.00 N ATOM 1010 CA LEU A 84 -17.928 0.321 -9.066 1.00 0.00 C ATOM 1011 C LEU A 84 -16.604 1.004 -9.397 1.00 0.00 C ATOM 1012 O LEU A 84 -16.584 2.106 -9.944 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.508 0.891 -7.773 1.00 0.00 C ATOM 1014 CG LEU A 84 -20.019 0.718 -7.614 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.413 0.799 -6.148 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.762 1.766 -8.429 1.00 0.00 C ATOM 0 H LEU A 84 -18.109 -1.528 -8.089 1.00 0.00 H new ATOM 0 HA LEU A 84 -18.627 0.516 -9.879 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.011 0.414 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.271 1.954 -7.723 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.296 -0.268 -7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.492 0.674 -6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -19.906 0.011 -5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -20.124 1.770 -5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.836 1.629 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -20.481 2.761 -8.085 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.502 1.660 -9.482 1.00 0.00 H new ATOM 1028 N ILE A 85 -15.498 0.337 -9.075 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.177 0.880 -9.357 1.00 0.00 C ATOM 1030 C ILE A 85 -13.952 0.956 -10.863 1.00 0.00 C ATOM 1031 O ILE A 85 -13.255 1.842 -11.355 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.063 0.030 -8.709 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -11.685 0.633 -8.994 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -13.129 -1.405 -9.206 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.161 1.499 -7.872 1.00 0.00 C ATOM 0 H ILE A 85 -15.493 -0.576 -8.621 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.133 1.881 -8.928 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.219 0.030 -7.630 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.976 -0.174 -9.181 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -11.739 1.228 -9.906 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -12.336 -1.989 -8.738 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -14.097 -1.835 -8.948 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -13.001 -1.421 -10.288 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.181 1.892 -8.143 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.849 2.327 -7.699 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.074 0.904 -6.963 1.00 0.00 H new ATOM 1047 N HIS A 86 -14.560 0.024 -11.590 1.00 0.00 N ATOM 1048 CA HIS A 86 -14.440 -0.013 -13.041 1.00 0.00 C ATOM 1049 C HIS A 86 -15.518 0.849 -13.692 1.00 0.00 C ATOM 1050 O HIS A 86 -15.360 1.312 -14.822 1.00 0.00 O ATOM 1051 CB HIS A 86 -14.545 -1.453 -13.546 1.00 0.00 C ATOM 1052 CG HIS A 86 -13.372 -2.304 -13.172 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -12.236 -2.403 -13.948 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -13.160 -3.100 -12.096 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -11.377 -3.223 -13.366 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -11.914 -3.658 -12.241 1.00 0.00 N ATOM 0 H HIS A 86 -15.141 -0.716 -11.196 1.00 0.00 H new ATOM 0 HA HIS A 86 -13.463 0.387 -13.314 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -15.453 -1.904 -13.147 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.645 -1.443 -14.631 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -13.844 -3.265 -11.277 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -10.402 -3.491 -13.746 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -11.474 -4.304 -11.586 1.00 0.00 H new ATOM 1065 N GLN A 87 -16.615 1.063 -12.968 1.00 0.00 N ATOM 1066 CA GLN A 87 -17.720 1.870 -13.470 1.00 0.00 C ATOM 1067 C GLN A 87 -17.441 3.358 -13.273 1.00 0.00 C ATOM 1068 O GLN A 87 -17.749 4.177 -14.138 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.021 1.484 -12.761 1.00 0.00 C ATOM 1070 CG GLN A 87 -19.386 0.017 -12.915 1.00 0.00 C ATOM 1071 CD GLN A 87 -20.839 -0.186 -13.298 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -21.291 0.292 -14.339 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -21.580 -0.896 -12.455 1.00 0.00 N ATOM 0 H GLN A 87 -16.760 0.687 -12.031 1.00 0.00 H new ATOM 0 HA GLN A 87 -17.824 1.677 -14.538 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.930 1.718 -11.700 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.834 2.095 -13.153 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.748 -0.434 -13.674 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.185 -0.504 -11.979 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -21.164 -1.273 -11.604 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -22.565 -1.064 -12.659 1.00 0.00 H new ATOM 1082 N ASN A 88 -16.857 3.700 -12.128 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.537 5.089 -11.817 1.00 0.00 C ATOM 1084 C ASN A 88 -15.158 5.462 -12.351 1.00 0.00 C ATOM 1085 O ASN A 88 -14.137 5.037 -11.810 1.00 0.00 O ATOM 1086 CB ASN A 88 -16.593 5.321 -10.304 1.00 0.00 C ATOM 1087 CG ASN A 88 -17.896 5.959 -9.866 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -18.725 6.338 -10.694 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -18.084 6.083 -8.557 1.00 0.00 N ATOM 0 H ASN A 88 -16.596 3.034 -11.401 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.278 5.724 -12.302 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -16.466 4.369 -9.788 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -15.761 5.959 -10.006 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -18.942 6.506 -8.203 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -17.370 5.755 -7.906 1.00 0.00 H new ATOM 1096 N GLY A 89 -15.135 6.259 -13.415 1.00 0.00 N ATOM 1097 CA GLY A 89 -13.876 6.675 -14.006 1.00 0.00 C ATOM 1098 C GLY A 89 -12.957 7.354 -13.008 1.00 0.00 C ATOM 1099 O GLY A 89 -11.768 7.039 -12.935 1.00 0.00 O ATOM 0 H GLY A 89 -15.967 6.624 -13.879 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.371 5.805 -14.425 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.075 7.357 -14.833 1.00 0.00 H new ATOM 1103 N LYS A 90 -13.506 8.288 -12.238 1.00 0.00 N ATOM 1104 CA LYS A 90 -12.726 9.013 -11.241 1.00 0.00 C ATOM 1105 C LYS A 90 -12.084 8.053 -10.245 1.00 0.00 C ATOM 1106 O LYS A 90 -10.861 7.923 -10.194 1.00 0.00 O ATOM 1107 CB LYS A 90 -13.612 10.019 -10.502 1.00 0.00 C ATOM 1108 CG LYS A 90 -13.555 11.422 -11.084 1.00 0.00 C ATOM 1109 CD LYS A 90 -14.369 11.528 -12.363 1.00 0.00 C ATOM 1110 CE LYS A 90 -14.160 12.870 -13.046 1.00 0.00 C ATOM 1111 NZ LYS A 90 -15.237 13.841 -12.705 1.00 0.00 N ATOM 0 H LYS A 90 -14.488 8.561 -12.285 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.932 9.551 -11.760 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -14.643 9.667 -10.524 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.310 10.056 -9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.931 12.136 -10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.518 11.691 -11.288 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.087 10.724 -13.043 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.427 11.395 -12.135 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.194 13.281 -12.751 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.129 12.727 -14.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -15.058 14.743 -13.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.156 13.461 -13.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.250 13.998 -11.677 1.00 0.00 H new ATOM 1125 N LEU A 91 -12.916 7.382 -9.453 1.00 0.00 N ATOM 1126 CA LEU A 91 -12.428 6.435 -8.457 1.00 0.00 C ATOM 1127 C LEU A 91 -11.506 5.401 -9.087 1.00 0.00 C ATOM 1128 O LEU A 91 -10.485 5.031 -8.508 1.00 0.00 O ATOM 1129 CB LEU A 91 -13.598 5.738 -7.770 1.00 0.00 C ATOM 1130 CG LEU A 91 -14.110 6.440 -6.516 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -15.365 5.754 -6.004 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -13.029 6.466 -5.442 1.00 0.00 C ATOM 0 H LEU A 91 -13.931 7.477 -9.482 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.859 6.994 -7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -14.419 5.649 -8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.295 4.725 -7.505 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.362 7.470 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -15.720 6.265 -5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -16.138 5.789 -6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -15.139 4.715 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -13.410 6.970 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -12.746 5.445 -5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -12.157 7.001 -5.817 1.00 0.00 H new ATOM 1144 N SER A 92 -11.864 4.941 -10.281 1.00 0.00 N ATOM 1145 CA SER A 92 -11.054 3.955 -10.988 1.00 0.00 C ATOM 1146 C SER A 92 -9.585 4.357 -10.944 1.00 0.00 C ATOM 1147 O SER A 92 -8.701 3.522 -10.755 1.00 0.00 O ATOM 1148 CB SER A 92 -11.515 3.825 -12.442 1.00 0.00 C ATOM 1149 OG SER A 92 -10.830 2.776 -13.103 1.00 0.00 O ATOM 0 H SER A 92 -12.706 5.233 -10.778 1.00 0.00 H new ATOM 0 HA SER A 92 -11.176 2.990 -10.496 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.588 3.637 -12.471 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.341 4.764 -12.967 1.00 0.00 H new ATOM 0 HG SER A 92 -11.144 2.713 -14.029 1.00 0.00 H new ATOM 1155 N ALA A 93 -9.344 5.652 -11.104 1.00 0.00 N ATOM 1156 CA ALA A 93 -7.992 6.191 -11.074 1.00 0.00 C ATOM 1157 C ALA A 93 -7.475 6.290 -9.643 1.00 0.00 C ATOM 1158 O ALA A 93 -6.278 6.144 -9.396 1.00 0.00 O ATOM 1159 CB ALA A 93 -7.958 7.556 -11.743 1.00 0.00 C ATOM 0 H ALA A 93 -10.071 6.351 -11.256 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.341 5.511 -11.623 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.942 7.950 -11.715 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.282 7.461 -12.779 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.626 8.237 -11.215 1.00 0.00 H new ATOM 1165 N ASP A 94 -8.384 6.538 -8.702 1.00 0.00 N ATOM 1166 CA ASP A 94 -8.015 6.655 -7.293 1.00 0.00 C ATOM 1167 C ASP A 94 -7.119 5.499 -6.867 1.00 0.00 C ATOM 1168 O ASP A 94 -5.926 5.679 -6.633 1.00 0.00 O ATOM 1169 CB ASP A 94 -9.261 6.693 -6.405 1.00 0.00 C ATOM 1170 CG ASP A 94 -10.000 8.012 -6.502 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -10.056 8.581 -7.613 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -10.524 8.478 -5.468 1.00 0.00 O ATOM 0 H ASP A 94 -9.379 6.662 -8.889 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.466 7.589 -7.173 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.932 5.882 -6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.971 6.518 -5.369 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.705 4.312 -6.773 1.00 0.00 N ATOM 1178 CA PHE A 95 -6.968 3.121 -6.376 1.00 0.00 C ATOM 1179 C PHE A 95 -5.828 2.832 -7.353 1.00 0.00 C ATOM 1180 O PHE A 95 -4.728 2.460 -6.943 1.00 0.00 O ATOM 1181 CB PHE A 95 -7.926 1.929 -6.288 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.403 0.663 -6.910 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -7.578 0.427 -8.263 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -6.736 -0.285 -6.147 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -7.099 -0.730 -8.846 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -6.257 -1.443 -6.726 1.00 0.00 C ATOM 1187 CZ PHE A 95 -6.438 -1.667 -8.077 1.00 0.00 C ATOM 0 H PHE A 95 -8.693 4.149 -6.967 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.525 3.292 -5.395 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.152 1.737 -5.239 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.865 2.197 -6.773 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.095 1.156 -8.870 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.590 -0.115 -5.090 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.241 -0.902 -9.903 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.740 -2.174 -6.122 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.063 -2.573 -8.531 1.00 0.00 H new ATOM 1197 N LYS A 96 -6.097 3.000 -8.647 1.00 0.00 N ATOM 1198 CA LYS A 96 -5.088 2.751 -9.675 1.00 0.00 C ATOM 1199 C LYS A 96 -3.791 3.485 -9.356 1.00 0.00 C ATOM 1200 O LYS A 96 -2.701 2.934 -9.505 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.605 3.188 -11.045 1.00 0.00 C ATOM 1202 CG LYS A 96 -6.514 2.167 -11.707 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.259 2.771 -12.884 1.00 0.00 C ATOM 1204 CE LYS A 96 -6.432 2.716 -14.159 1.00 0.00 C ATOM 1205 NZ LYS A 96 -7.210 2.164 -15.302 1.00 0.00 N ATOM 0 H LYS A 96 -7.001 3.306 -9.007 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.885 1.680 -9.693 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.147 4.128 -10.937 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.755 3.383 -11.699 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.923 1.317 -12.046 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.229 1.787 -10.978 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.197 2.236 -13.035 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.515 3.807 -12.660 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.082 3.718 -14.408 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.547 2.102 -13.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.611 2.143 -16.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.523 1.198 -15.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.041 2.764 -15.479 1.00 0.00 H new ATOM 1219 N ASN A 97 -3.921 4.729 -8.914 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.762 5.544 -8.567 1.00 0.00 C ATOM 1221 C ASN A 97 -2.096 5.017 -7.302 1.00 0.00 C ATOM 1222 O ASN A 97 -0.871 5.026 -7.180 1.00 0.00 O ATOM 1223 CB ASN A 97 -3.178 7.002 -8.364 1.00 0.00 C ATOM 1224 CG ASN A 97 -2.179 7.977 -8.954 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -1.053 8.099 -8.472 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -2.587 8.679 -10.005 1.00 0.00 N ATOM 0 H ASN A 97 -4.818 5.197 -8.787 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.048 5.489 -9.389 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.154 7.165 -8.821 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.288 7.200 -7.298 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.958 9.351 -10.445 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.529 8.546 -10.372 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.916 4.558 -6.364 1.00 0.00 N ATOM 1234 CA LEU A 98 -2.413 4.025 -5.106 1.00 0.00 C ATOM 1235 C LEU A 98 -1.691 2.705 -5.333 1.00 0.00 C ATOM 1236 O LEU A 98 -0.512 2.569 -5.010 1.00 0.00 O ATOM 1237 CB LEU A 98 -3.563 3.836 -4.117 1.00 0.00 C ATOM 1238 CG LEU A 98 -4.500 5.036 -3.990 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.843 4.615 -3.414 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -3.865 6.118 -3.135 1.00 0.00 C ATOM 0 H LEU A 98 -3.932 4.545 -6.452 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.702 4.738 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.147 2.967 -4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.146 3.612 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.672 5.442 -4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.493 5.486 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.305 3.877 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.695 4.180 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.546 6.965 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.660 5.722 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.932 6.444 -3.595 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.399 1.735 -5.901 1.00 0.00 N ATOM 1253 CA LYS A 99 -1.804 0.432 -6.178 1.00 0.00 C ATOM 1254 C LYS A 99 -0.579 0.598 -7.065 1.00 0.00 C ATOM 1255 O LYS A 99 0.397 -0.140 -6.940 1.00 0.00 O ATOM 1256 CB LYS A 99 -2.815 -0.500 -6.852 1.00 0.00 C ATOM 1257 CG LYS A 99 -3.482 0.103 -8.080 1.00 0.00 C ATOM 1258 CD LYS A 99 -3.422 -0.840 -9.273 1.00 0.00 C ATOM 1259 CE LYS A 99 -2.917 -0.133 -10.521 1.00 0.00 C ATOM 1260 NZ LYS A 99 -2.760 -1.071 -11.666 1.00 0.00 N ATOM 0 H LYS A 99 -3.377 1.824 -6.177 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.505 -0.016 -5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.310 -1.422 -7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.584 -0.771 -6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.522 0.336 -7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.993 1.044 -8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.768 -1.680 -9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.414 -1.251 -9.463 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.612 0.661 -10.795 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.959 0.342 -10.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.414 -0.550 -12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.077 -1.814 -11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.679 -1.505 -11.888 1.00 0.00 H new ATOM 1274 N THR A 100 -0.635 1.587 -7.949 1.00 0.00 N ATOM 1275 CA THR A 100 0.470 1.871 -8.849 1.00 0.00 C ATOM 1276 C THR A 100 1.652 2.423 -8.063 1.00 0.00 C ATOM 1277 O THR A 100 2.758 1.885 -8.125 1.00 0.00 O ATOM 1278 CB THR A 100 0.027 2.866 -9.926 1.00 0.00 C ATOM 1279 OG1 THR A 100 -0.735 2.215 -10.926 1.00 0.00 O ATOM 1280 CG2 THR A 100 1.176 3.570 -10.615 1.00 0.00 C ATOM 0 H THR A 100 -1.438 2.206 -8.060 1.00 0.00 H new ATOM 0 HA THR A 100 0.779 0.947 -9.338 1.00 0.00 H new ATOM 0 HB THR A 100 -0.564 3.612 -9.395 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.660 2.538 -10.895 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.784 4.258 -11.364 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.756 4.127 -9.879 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.817 2.833 -11.099 1.00 0.00 H new ATOM 1288 N LYS A 101 1.410 3.494 -7.313 1.00 0.00 N ATOM 1289 CA LYS A 101 2.457 4.102 -6.509 1.00 0.00 C ATOM 1290 C LYS A 101 2.965 3.101 -5.480 1.00 0.00 C ATOM 1291 O LYS A 101 4.155 3.054 -5.177 1.00 0.00 O ATOM 1292 CB LYS A 101 1.939 5.373 -5.819 1.00 0.00 C ATOM 1293 CG LYS A 101 1.143 5.116 -4.547 1.00 0.00 C ATOM 1294 CD LYS A 101 0.853 6.408 -3.801 1.00 0.00 C ATOM 1295 CE LYS A 101 1.921 6.701 -2.759 1.00 0.00 C ATOM 1296 NZ LYS A 101 1.421 7.608 -1.689 1.00 0.00 N ATOM 0 H LYS A 101 0.502 3.954 -7.247 1.00 0.00 H new ATOM 0 HA LYS A 101 3.283 4.385 -7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.788 6.014 -5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.312 5.923 -6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.205 4.621 -4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.699 4.438 -3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.798 7.234 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.121 6.339 -3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.259 5.766 -2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.786 7.154 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.180 7.782 -0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.122 8.511 -2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.612 7.165 -1.209 1.00 0.00 H new ATOM 1310 N TYR A 102 2.045 2.293 -4.960 1.00 0.00 N ATOM 1311 CA TYR A 102 2.383 1.278 -3.970 1.00 0.00 C ATOM 1312 C TYR A 102 3.401 0.295 -4.541 1.00 0.00 C ATOM 1313 O TYR A 102 4.326 -0.130 -3.848 1.00 0.00 O ATOM 1314 CB TYR A 102 1.111 0.547 -3.515 1.00 0.00 C ATOM 1315 CG TYR A 102 1.345 -0.845 -2.964 1.00 0.00 C ATOM 1316 CD1 TYR A 102 2.135 -1.051 -1.838 1.00 0.00 C ATOM 1317 CD2 TYR A 102 0.769 -1.953 -3.573 1.00 0.00 C ATOM 1318 CE1 TYR A 102 2.345 -2.325 -1.338 1.00 0.00 C ATOM 1319 CE2 TYR A 102 0.974 -3.226 -3.077 1.00 0.00 C ATOM 1320 CZ TYR A 102 1.761 -3.405 -1.962 1.00 0.00 C ATOM 1321 OH TYR A 102 1.968 -4.671 -1.471 1.00 0.00 O ATOM 0 H TYR A 102 1.057 2.323 -5.210 1.00 0.00 H new ATOM 0 HA TYR A 102 2.833 1.763 -3.104 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.617 1.147 -2.751 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.426 0.478 -4.360 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.591 -0.205 -1.346 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.151 -1.817 -4.448 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.963 -2.471 -0.464 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.519 -4.077 -3.562 1.00 0.00 H new ATOM 0 HH TYR A 102 1.931 -5.317 -2.207 1.00 0.00 H new ATOM 1331 N GLN A 103 3.229 -0.056 -5.812 1.00 0.00 N ATOM 1332 CA GLN A 103 4.139 -0.981 -6.475 1.00 0.00 C ATOM 1333 C GLN A 103 5.551 -0.412 -6.506 1.00 0.00 C ATOM 1334 O GLN A 103 6.528 -1.132 -6.309 1.00 0.00 O ATOM 1335 CB GLN A 103 3.664 -1.267 -7.902 1.00 0.00 C ATOM 1336 CG GLN A 103 2.348 -2.024 -7.973 1.00 0.00 C ATOM 1337 CD GLN A 103 2.403 -3.200 -8.927 1.00 0.00 C ATOM 1338 OE1 GLN A 103 2.538 -4.350 -8.508 1.00 0.00 O ATOM 1339 NE2 GLN A 103 2.298 -2.917 -10.220 1.00 0.00 N ATOM 0 H GLN A 103 2.470 0.286 -6.401 1.00 0.00 H new ATOM 0 HA GLN A 103 4.147 -1.913 -5.910 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.558 -0.322 -8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.431 -1.842 -8.421 1.00 0.00 H new ATOM 0 HG2 GLN A 103 2.084 -2.381 -6.977 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.558 -1.342 -8.287 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.187 -1.949 -10.523 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.328 -3.667 -10.910 1.00 0.00 H new ATOM 1348 N SER A 104 5.651 0.888 -6.753 1.00 0.00 N ATOM 1349 CA SER A 104 6.944 1.555 -6.804 1.00 0.00 C ATOM 1350 C SER A 104 7.623 1.508 -5.443 1.00 0.00 C ATOM 1351 O SER A 104 8.844 1.391 -5.347 1.00 0.00 O ATOM 1352 CB SER A 104 6.770 3.008 -7.241 1.00 0.00 C ATOM 1353 OG SER A 104 7.822 3.416 -8.098 1.00 0.00 O ATOM 0 H SER A 104 4.853 1.500 -6.921 1.00 0.00 H new ATOM 0 HA SER A 104 7.570 1.034 -7.529 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.815 3.124 -7.753 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.742 3.653 -6.363 1.00 0.00 H new ATOM 0 HG SER A 104 7.684 4.349 -8.364 1.00 0.00 H new ATOM 1359 N LEU A 105 6.817 1.604 -4.392 1.00 0.00 N ATOM 1360 CA LEU A 105 7.328 1.577 -3.033 1.00 0.00 C ATOM 1361 C LEU A 105 7.958 0.232 -2.719 1.00 0.00 C ATOM 1362 O LEU A 105 9.092 0.162 -2.249 1.00 0.00 O ATOM 1363 CB LEU A 105 6.199 1.859 -2.043 1.00 0.00 C ATOM 1364 CG LEU A 105 5.400 3.131 -2.320 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.144 3.173 -1.463 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.262 4.357 -2.076 1.00 0.00 C ATOM 0 H LEU A 105 5.804 1.701 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 105 8.092 2.349 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.515 1.011 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.623 1.925 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 105 5.094 3.128 -3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.589 4.087 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.520 2.309 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.422 3.154 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.680 5.257 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.597 4.366 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.128 4.330 -2.737 1.00 0.00 H new ATOM 1378 N GLN A 106 7.216 -0.836 -2.980 1.00 0.00 N ATOM 1379 CA GLN A 106 7.717 -2.183 -2.716 1.00 0.00 C ATOM 1380 C GLN A 106 9.031 -2.418 -3.457 1.00 0.00 C ATOM 1381 O GLN A 106 9.958 -3.024 -2.921 1.00 0.00 O ATOM 1382 CB GLN A 106 6.697 -3.265 -3.115 1.00 0.00 C ATOM 1383 CG GLN A 106 5.445 -2.749 -3.811 1.00 0.00 C ATOM 1384 CD GLN A 106 4.652 -3.858 -4.474 1.00 0.00 C ATOM 1385 OE1 GLN A 106 4.716 -4.040 -5.690 1.00 0.00 O ATOM 1386 NE2 GLN A 106 3.901 -4.607 -3.677 1.00 0.00 N ATOM 0 H GLN A 106 6.274 -0.800 -3.370 1.00 0.00 H new ATOM 0 HA GLN A 106 7.885 -2.259 -1.642 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.190 -3.982 -3.772 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.398 -3.808 -2.219 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.813 -2.239 -3.084 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.728 -2.010 -4.561 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.878 -4.421 -2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.347 -5.369 -4.067 1.00 0.00 H new ATOM 1395 N GLN A 107 9.097 -1.937 -4.694 1.00 0.00 N ATOM 1396 CA GLN A 107 10.291 -2.096 -5.519 1.00 0.00 C ATOM 1397 C GLN A 107 11.452 -1.257 -4.994 1.00 0.00 C ATOM 1398 O GLN A 107 12.562 -1.760 -4.825 1.00 0.00 O ATOM 1399 CB GLN A 107 9.995 -1.706 -6.969 1.00 0.00 C ATOM 1400 CG GLN A 107 8.676 -2.249 -7.495 1.00 0.00 C ATOM 1401 CD GLN A 107 8.864 -3.259 -8.611 1.00 0.00 C ATOM 1402 OE1 GLN A 107 8.775 -2.920 -9.791 1.00 0.00 O ATOM 1403 NE2 GLN A 107 9.125 -4.507 -8.242 1.00 0.00 N ATOM 0 H GLN A 107 8.336 -1.433 -5.149 1.00 0.00 H new ATOM 0 HA GLN A 107 10.579 -3.146 -5.475 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.987 -0.619 -7.048 1.00 0.00 H new ATOM 0 HB3 GLN A 107 10.804 -2.066 -7.604 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.127 -2.715 -6.677 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.066 -1.422 -7.858 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.190 -4.743 -7.252 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.261 -5.230 -8.949 1.00 0.00 H new ATOM 1412 N SER A 108 11.197 0.026 -4.748 1.00 0.00 N ATOM 1413 CA SER A 108 12.234 0.925 -4.253 1.00 0.00 C ATOM 1414 C SER A 108 12.777 0.447 -2.911 1.00 0.00 C ATOM 1415 O SER A 108 13.965 0.591 -2.619 1.00 0.00 O ATOM 1416 CB SER A 108 11.683 2.346 -4.117 1.00 0.00 C ATOM 1417 OG SER A 108 11.814 3.063 -5.332 1.00 0.00 O ATOM 0 H SER A 108 10.286 0.464 -4.883 1.00 0.00 H new ATOM 0 HA SER A 108 13.052 0.926 -4.974 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.633 2.306 -3.826 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.214 2.871 -3.323 1.00 0.00 H new ATOM 0 HG SER A 108 11.453 3.967 -5.219 1.00 0.00 H new ATOM 1423 N TYR A 109 11.894 -0.116 -2.099 1.00 0.00 N ATOM 1424 CA TYR A 109 12.266 -0.611 -0.781 1.00 0.00 C ATOM 1425 C TYR A 109 12.856 -2.013 -0.868 1.00 0.00 C ATOM 1426 O TYR A 109 13.872 -2.306 -0.237 1.00 0.00 O ATOM 1427 CB TYR A 109 11.037 -0.577 0.135 1.00 0.00 C ATOM 1428 CG TYR A 109 10.754 -1.848 0.912 1.00 0.00 C ATOM 1429 CD1 TYR A 109 11.726 -2.447 1.702 1.00 0.00 C ATOM 1430 CD2 TYR A 109 9.498 -2.436 0.863 1.00 0.00 C ATOM 1431 CE1 TYR A 109 11.457 -3.597 2.415 1.00 0.00 C ATOM 1432 CE2 TYR A 109 9.220 -3.583 1.573 1.00 0.00 C ATOM 1433 CZ TYR A 109 10.203 -4.162 2.348 1.00 0.00 C ATOM 1434 OH TYR A 109 9.929 -5.308 3.058 1.00 0.00 O ATOM 0 H TYR A 109 10.909 -0.242 -2.332 1.00 0.00 H new ATOM 0 HA TYR A 109 13.039 0.033 -0.360 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.160 0.240 0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.162 -0.343 -0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.710 -2.005 1.759 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.725 -1.986 0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.226 -4.052 3.022 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.237 -4.027 1.523 1.00 0.00 H new ATOM 0 HH TYR A 109 10.479 -5.330 3.869 1.00 0.00 H new ATOM 1444 N ASN A 110 12.217 -2.881 -1.643 1.00 0.00 N ATOM 1445 CA ASN A 110 12.694 -4.250 -1.791 1.00 0.00 C ATOM 1446 C ASN A 110 14.175 -4.260 -2.147 1.00 0.00 C ATOM 1447 O ASN A 110 14.956 -5.040 -1.600 1.00 0.00 O ATOM 1448 CB ASN A 110 11.890 -4.993 -2.860 1.00 0.00 C ATOM 1449 CG ASN A 110 10.618 -5.605 -2.307 1.00 0.00 C ATOM 1450 OD1 ASN A 110 10.581 -6.062 -1.164 1.00 0.00 O ATOM 1451 ND2 ASN A 110 9.566 -5.617 -3.117 1.00 0.00 N ATOM 0 H ASN A 110 11.374 -2.664 -2.175 1.00 0.00 H new ATOM 0 HA ASN A 110 12.557 -4.763 -0.839 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.638 -4.303 -3.665 1.00 0.00 H new ATOM 0 HB3 ASN A 110 12.508 -5.778 -3.295 1.00 0.00 H new ATOM 0 HD21 ASN A 110 8.683 -6.016 -2.800 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.641 -5.227 -4.057 1.00 0.00 H new ATOM 1458 N GLN A 111 14.562 -3.374 -3.052 1.00 0.00 N ATOM 1459 CA GLN A 111 15.957 -3.279 -3.450 1.00 0.00 C ATOM 1460 C GLN A 111 16.797 -2.820 -2.269 1.00 0.00 C ATOM 1461 O GLN A 111 17.724 -3.509 -1.846 1.00 0.00 O ATOM 1462 CB GLN A 111 16.141 -2.314 -4.625 1.00 0.00 C ATOM 1463 CG GLN A 111 15.452 -0.969 -4.454 1.00 0.00 C ATOM 1464 CD GLN A 111 15.223 -0.267 -5.778 1.00 0.00 C ATOM 1465 OE1 GLN A 111 14.150 -0.370 -6.373 1.00 0.00 O ATOM 1466 NE2 GLN A 111 16.237 0.450 -6.249 1.00 0.00 N ATOM 0 H GLN A 111 13.937 -2.717 -3.520 1.00 0.00 H new ATOM 0 HA GLN A 111 16.284 -4.267 -3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 111 17.207 -2.145 -4.775 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.763 -2.789 -5.530 1.00 0.00 H new ATOM 0 HG2 GLN A 111 14.495 -1.115 -3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 111 16.057 -0.333 -3.808 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.109 0.508 -5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 111 16.144 0.943 -7.137 1.00 0.00 H new ATOM 1475 N ARG A 112 16.448 -1.655 -1.734 1.00 0.00 N ATOM 1476 CA ARG A 112 17.148 -1.083 -0.590 1.00 0.00 C ATOM 1477 C ARG A 112 17.308 -2.113 0.521 1.00 0.00 C ATOM 1478 O ARG A 112 18.362 -2.207 1.149 1.00 0.00 O ATOM 1479 CB ARG A 112 16.385 0.133 -0.062 1.00 0.00 C ATOM 1480 CG ARG A 112 16.956 1.461 -0.526 1.00 0.00 C ATOM 1481 CD ARG A 112 16.748 2.546 0.517 1.00 0.00 C ATOM 1482 NE ARG A 112 17.783 3.575 0.452 1.00 0.00 N ATOM 1483 CZ ARG A 112 17.800 4.553 -0.450 1.00 0.00 C ATOM 1484 NH1 ARG A 112 16.840 4.641 -1.362 1.00 0.00 N ATOM 1485 NH2 ARG A 112 18.779 5.448 -0.439 1.00 0.00 N ATOM 0 H ARG A 112 15.677 -1.084 -2.079 1.00 0.00 H new ATOM 0 HA ARG A 112 18.140 -0.773 -0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 112 15.345 0.064 -0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 112 16.388 0.107 1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 112 18.021 1.350 -0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.481 1.757 -1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 112 15.770 3.006 0.372 1.00 0.00 H new ATOM 0 HD3 ARG A 112 16.745 2.098 1.511 1.00 0.00 H new ATOM 0 HE ARG A 112 18.537 3.542 1.138 1.00 0.00 H new ATOM 0 HH11 ARG A 112 16.084 3.957 -1.374 1.00 0.00 H new ATOM 0 HH12 ARG A 112 16.858 5.393 -2.051 1.00 0.00 H new ATOM 0 HH21 ARG A 112 19.519 5.386 0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 112 18.792 6.198 -1.130 1.00 0.00 H new ATOM 1499 N LYS A 113 16.253 -2.884 0.758 1.00 0.00 N ATOM 1500 CA LYS A 113 16.280 -3.907 1.796 1.00 0.00 C ATOM 1501 C LYS A 113 17.357 -4.947 1.495 1.00 0.00 C ATOM 1502 O LYS A 113 17.912 -5.564 2.405 1.00 0.00 O ATOM 1503 CB LYS A 113 14.895 -4.560 1.946 1.00 0.00 C ATOM 1504 CG LYS A 113 14.622 -5.725 1.002 1.00 0.00 C ATOM 1505 CD LYS A 113 13.984 -6.895 1.733 1.00 0.00 C ATOM 1506 CE LYS A 113 12.503 -6.654 1.982 1.00 0.00 C ATOM 1507 NZ LYS A 113 11.674 -7.819 1.567 1.00 0.00 N ATOM 0 H LYS A 113 15.372 -2.821 0.248 1.00 0.00 H new ATOM 0 HA LYS A 113 16.530 -3.435 2.746 1.00 0.00 H new ATOM 0 HB2 LYS A 113 14.786 -4.911 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.132 -3.798 1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 113 13.966 -5.396 0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 113 15.555 -6.048 0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 113 14.112 -7.805 1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 113 14.493 -7.053 2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.341 -6.452 3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.182 -5.767 1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.671 -7.615 1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.809 -7.997 0.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.962 -8.660 2.107 1.00 0.00 H new ATOM 1521 N SER A 114 17.652 -5.129 0.210 1.00 0.00 N ATOM 1522 CA SER A 114 18.667 -6.086 -0.216 1.00 0.00 C ATOM 1523 C SER A 114 20.061 -5.463 -0.172 1.00 0.00 C ATOM 1524 O SER A 114 21.061 -6.167 -0.030 1.00 0.00 O ATOM 1525 CB SER A 114 18.365 -6.582 -1.631 1.00 0.00 C ATOM 1526 OG SER A 114 17.379 -7.600 -1.617 1.00 0.00 O ATOM 0 H SER A 114 17.201 -4.625 -0.554 1.00 0.00 H new ATOM 0 HA SER A 114 18.645 -6.930 0.473 1.00 0.00 H new ATOM 0 HB2 SER A 114 18.023 -5.749 -2.246 1.00 0.00 H new ATOM 0 HB3 SER A 114 19.278 -6.963 -2.089 1.00 0.00 H new ATOM 0 HG SER A 114 17.203 -7.898 -2.534 1.00 0.00 H new ATOM 1532 N LEU A 115 20.120 -4.138 -0.291 1.00 0.00 N ATOM 1533 CA LEU A 115 21.394 -3.422 -0.262 1.00 0.00 C ATOM 1534 C LEU A 115 21.743 -2.990 1.160 1.00 0.00 C ATOM 1535 O LEU A 115 22.913 -2.792 1.489 1.00 0.00 O ATOM 1536 CB LEU A 115 21.360 -2.183 -1.172 1.00 0.00 C ATOM 1537 CG LEU A 115 20.106 -2.012 -2.033 1.00 0.00 C ATOM 1538 CD1 LEU A 115 20.057 -0.618 -2.638 1.00 0.00 C ATOM 1539 CD2 LEU A 115 20.055 -3.068 -3.125 1.00 0.00 C ATOM 0 H LEU A 115 19.302 -3.539 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 115 22.157 -4.109 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 115 21.471 -1.296 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 115 22.227 -2.219 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 115 19.234 -2.140 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 115 19.158 -0.517 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 115 20.041 0.125 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 115 20.937 -0.461 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 115 19.156 -2.928 -3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 115 20.934 -2.975 -3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 115 20.038 -4.059 -2.672 1.00 0.00 H new ATOM 1551 N PHE A 116 20.721 -2.834 1.995 1.00 0.00 N ATOM 1552 CA PHE A 116 20.918 -2.411 3.377 1.00 0.00 C ATOM 1553 C PHE A 116 20.424 -3.467 4.367 1.00 0.00 C ATOM 1554 O PHE A 116 19.383 -3.293 5.002 1.00 0.00 O ATOM 1555 CB PHE A 116 20.187 -1.091 3.626 1.00 0.00 C ATOM 1556 CG PHE A 116 20.749 0.066 2.850 1.00 0.00 C ATOM 1557 CD1 PHE A 116 20.377 0.280 1.533 1.00 0.00 C ATOM 1558 CD2 PHE A 116 21.649 0.939 3.439 1.00 0.00 C ATOM 1559 CE1 PHE A 116 20.892 1.344 0.817 1.00 0.00 C ATOM 1560 CE2 PHE A 116 22.168 2.005 2.728 1.00 0.00 C ATOM 1561 CZ PHE A 116 21.788 2.207 1.415 1.00 0.00 C ATOM 0 H PHE A 116 19.747 -2.994 1.739 1.00 0.00 H new ATOM 0 HA PHE A 116 21.988 -2.277 3.534 1.00 0.00 H new ATOM 0 HB2 PHE A 116 19.135 -1.214 3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 116 20.229 -0.858 4.690 1.00 0.00 H new ATOM 0 HD1 PHE A 116 19.676 -0.392 1.060 1.00 0.00 H new ATOM 0 HD2 PHE A 116 21.949 0.785 4.465 1.00 0.00 H new ATOM 0 HE1 PHE A 116 20.594 1.500 -0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 116 22.869 2.679 3.198 1.00 0.00 H new ATOM 0 HZ PHE A 116 22.192 3.039 0.857 1.00 0.00 H new ATOM 1571 N PRO A 117 21.169 -4.575 4.523 1.00 0.00 N ATOM 1572 CA PRO A 117 20.799 -5.648 5.452 1.00 0.00 C ATOM 1573 C PRO A 117 20.783 -5.165 6.899 1.00 0.00 C ATOM 1574 O PRO A 117 20.885 -3.967 7.163 1.00 0.00 O ATOM 1575 CB PRO A 117 21.897 -6.703 5.256 1.00 0.00 C ATOM 1576 CG PRO A 117 22.550 -6.357 3.961 1.00 0.00 C ATOM 1577 CD PRO A 117 22.425 -4.868 3.818 1.00 0.00 C ATOM 0 HA PRO A 117 19.796 -6.026 5.256 1.00 0.00 H new ATOM 0 HB2 PRO A 117 22.614 -6.681 6.076 1.00 0.00 H new ATOM 0 HB3 PRO A 117 21.476 -7.708 5.228 1.00 0.00 H new ATOM 0 HG2 PRO A 117 23.596 -6.663 3.958 1.00 0.00 H new ATOM 0 HG3 PRO A 117 22.066 -6.871 3.131 1.00 0.00 H new ATOM 0 HD2 PRO A 117 23.271 -4.347 4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 117 22.381 -4.565 2.772 1.00 0.00 H new ATOM 1585 N LEU A 118 20.660 -6.101 7.834 1.00 0.00 N ATOM 1586 CA LEU A 118 20.638 -5.764 9.253 1.00 0.00 C ATOM 1587 C LEU A 118 21.649 -6.607 10.024 1.00 0.00 C ATOM 1588 O LEU A 118 22.488 -7.284 9.430 1.00 0.00 O ATOM 1589 CB LEU A 118 19.236 -5.970 9.835 1.00 0.00 C ATOM 1590 CG LEU A 118 18.079 -5.579 8.912 1.00 0.00 C ATOM 1591 CD1 LEU A 118 16.902 -6.519 9.111 1.00 0.00 C ATOM 1592 CD2 LEU A 118 17.657 -4.138 9.161 1.00 0.00 C ATOM 0 H LEU A 118 20.574 -7.098 7.635 1.00 0.00 H new ATOM 0 HA LEU A 118 20.910 -4.713 9.353 1.00 0.00 H new ATOM 0 HB2 LEU A 118 19.124 -7.020 10.106 1.00 0.00 H new ATOM 0 HB3 LEU A 118 19.155 -5.393 10.756 1.00 0.00 H new ATOM 0 HG LEU A 118 18.420 -5.663 7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 118 16.088 -6.228 8.448 1.00 0.00 H new ATOM 0 HD12 LEU A 118 17.209 -7.540 8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 118 16.564 -6.465 10.146 1.00 0.00 H new ATOM 0 HD21 LEU A 118 16.834 -3.880 8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 118 17.335 -4.027 10.196 1.00 0.00 H new ATOM 0 HD23 LEU A 118 18.500 -3.474 8.970 1.00 0.00 H new ATOM 1604 N LYS A 119 21.564 -6.563 11.349 1.00 0.00 N ATOM 1605 CA LYS A 119 22.473 -7.324 12.199 1.00 0.00 C ATOM 1606 C LYS A 119 21.975 -8.754 12.383 1.00 0.00 C ATOM 1607 O LYS A 119 22.823 -9.663 12.508 1.00 0.00 O ATOM 1608 CB LYS A 119 22.621 -6.644 13.561 1.00 0.00 C ATOM 1609 CG LYS A 119 23.691 -5.565 13.588 1.00 0.00 C ATOM 1610 CD LYS A 119 24.151 -5.274 15.007 1.00 0.00 C ATOM 1611 CE LYS A 119 25.187 -4.162 15.039 1.00 0.00 C ATOM 1612 NZ LYS A 119 26.122 -4.306 16.189 1.00 0.00 N ATOM 1613 OXT LYS A 119 20.743 -8.954 12.401 1.00 0.00 O ATOM 0 H LYS A 119 20.875 -6.009 11.858 1.00 0.00 H new ATOM 0 HA LYS A 119 23.447 -7.357 11.710 1.00 0.00 H new ATOM 0 HB2 LYS A 119 21.665 -6.203 13.844 1.00 0.00 H new ATOM 0 HB3 LYS A 119 22.858 -7.399 14.311 1.00 0.00 H new ATOM 0 HG2 LYS A 119 24.543 -5.880 12.985 1.00 0.00 H new ATOM 0 HG3 LYS A 119 23.301 -4.653 13.136 1.00 0.00 H new ATOM 0 HD2 LYS A 119 23.294 -4.992 15.618 1.00 0.00 H new ATOM 0 HD3 LYS A 119 24.572 -6.178 15.447 1.00 0.00 H new ATOM 0 HE2 LYS A 119 25.754 -4.167 14.108 1.00 0.00 H new ATOM 0 HE3 LYS A 119 24.683 -3.198 15.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 26.812 -3.528 16.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 25.585 -4.276 17.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 26.623 -5.215 16.118 1.00 0.00 H new TER 1627 LYS A 119