USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1005 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 112 THR OG1 : rot 1:sc= 0.219 USER MOD Set 1.2: A 115 ASN : amide:sc= 0.306 K(o=0.53,f=-0.31) USER MOD Set 2.1: A 40 SER OG : rot 180:sc= -0.0201 USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= 0.00367 USER MOD Single : A 7 CYS SG : rot -11:sc= 0.449 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.22 X(o=-2.2,f=-2.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.94 K(o=-1.9,f=-5.6!) USER MOD Single : A 20 SER OG : rot 168:sc= 1.23 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0251 USER MOD Single : A 29 THR OG1 : rot 23:sc= -0.686 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -107:sc= 0.981 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 106:sc= 1.27 USER MOD Single : A 54 THR OG1 : rot -130:sc= -0.828 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-1.8) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00302 USER MOD Single : A 73 THR OG1 : rot 130:sc= -1.92 USER MOD Single : A 75 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.2!) USER MOD Single : A 76 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.44) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0.539 K(o=0.54,f=-6.4!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.564 K(o=-0.56,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.06) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 140:sc= -0.238 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.981 USER MOD Single : A 124 MET CE :methyl -158:sc= -3.96! (180deg=-5.44!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N CYS A 7 -16.324 6.116 2.938 1.00 2.12 N ATOM 93 CA CYS A 7 -15.137 6.408 2.045 1.00 1.90 C ATOM 94 C CYS A 7 -15.489 7.332 0.883 1.00 1.54 C ATOM 95 O CYS A 7 -15.583 6.916 -0.254 1.00 1.37 O ATOM 96 CB CYS A 7 -14.606 5.092 1.478 1.00 2.70 C ATOM 97 SG CYS A 7 -15.926 3.853 1.476 1.00 3.11 S ATOM 0 HA CYS A 7 -14.387 6.912 2.655 1.00 1.90 H new ATOM 0 HB2 CYS A 7 -14.236 5.245 0.464 1.00 2.70 H new ATOM 0 HB3 CYS A 7 -13.765 4.740 2.075 1.00 2.70 H new ATOM 0 HG CYS A 7 -16.936 4.294 2.166 1.00 3.11 H new ATOM 102 N ASP A 8 -15.690 8.583 1.170 1.00 1.97 N ATOM 103 CA ASP A 8 -16.048 9.548 0.093 1.00 1.84 C ATOM 104 C ASP A 8 -14.776 10.153 -0.511 1.00 1.15 C ATOM 105 O ASP A 8 -14.309 9.724 -1.548 1.00 1.15 O ATOM 106 CB ASP A 8 -16.929 10.657 0.674 1.00 2.53 C ATOM 107 CG ASP A 8 -18.386 10.412 0.276 1.00 3.17 C ATOM 108 OD1 ASP A 8 -18.697 10.583 -0.891 1.00 2.55 O ATOM 109 OD2 ASP A 8 -19.165 10.058 1.146 1.00 4.49 O ATOM 0 H ASP A 8 -15.622 8.983 2.106 1.00 1.97 H new ATOM 0 HA ASP A 8 -16.596 9.026 -0.691 1.00 1.84 H new ATOM 0 HB2 ASP A 8 -16.836 10.679 1.760 1.00 2.53 H new ATOM 0 HB3 ASP A 8 -16.599 11.629 0.306 1.00 2.53 H new ATOM 114 N ILE A 9 -14.218 11.152 0.118 1.00 0.87 N ATOM 115 CA ILE A 9 -12.985 11.786 -0.434 1.00 0.32 C ATOM 116 C ILE A 9 -11.728 11.101 0.118 1.00 0.39 C ATOM 117 O ILE A 9 -10.649 11.246 -0.424 1.00 0.48 O ATOM 118 CB ILE A 9 -12.963 13.266 -0.050 1.00 0.84 C ATOM 119 CG1 ILE A 9 -14.239 13.939 -0.557 1.00 0.61 C ATOM 120 CG2 ILE A 9 -11.744 13.941 -0.684 1.00 1.64 C ATOM 121 CD1 ILE A 9 -14.791 14.868 0.525 1.00 0.59 C ATOM 0 H ILE A 9 -14.562 11.556 0.989 1.00 0.87 H new ATOM 0 HA ILE A 9 -12.993 11.679 -1.519 1.00 0.32 H new ATOM 0 HB ILE A 9 -12.906 13.360 1.034 1.00 0.84 H new ATOM 0 HG12 ILE A 9 -14.028 14.505 -1.464 1.00 0.61 H new ATOM 0 HG13 ILE A 9 -14.982 13.185 -0.817 1.00 0.61 H new ATOM 0 HG21 ILE A 9 -11.729 14.996 -0.410 1.00 1.64 H new ATOM 0 HG22 ILE A 9 -10.834 13.460 -0.325 1.00 1.64 H new ATOM 0 HG23 ILE A 9 -11.800 13.849 -1.769 1.00 1.64 H new ATOM 0 HD11 ILE A 9 -15.701 15.348 0.163 1.00 0.59 H new ATOM 0 HD12 ILE A 9 -15.017 14.289 1.421 1.00 0.59 H new ATOM 0 HD13 ILE A 9 -14.049 15.630 0.763 1.00 0.59 H new ATOM 133 N THR A 10 -11.844 10.370 1.193 1.00 0.37 N ATOM 134 CA THR A 10 -10.645 9.698 1.768 1.00 0.43 C ATOM 135 C THR A 10 -10.176 8.576 0.840 1.00 0.43 C ATOM 136 O THR A 10 -8.995 8.318 0.712 1.00 0.48 O ATOM 137 CB THR A 10 -11.003 9.109 3.133 1.00 0.48 C ATOM 138 OG1 THR A 10 -11.287 10.163 4.042 1.00 0.70 O ATOM 139 CG2 THR A 10 -9.830 8.280 3.658 1.00 0.37 C ATOM 0 H THR A 10 -12.716 10.209 1.697 1.00 0.37 H new ATOM 0 HA THR A 10 -9.844 10.429 1.877 1.00 0.43 H new ATOM 0 HB THR A 10 -11.880 8.469 3.034 1.00 0.48 H new ATOM 0 HG1 THR A 10 -11.518 9.787 4.917 1.00 0.70 H new ATOM 0 HG21 THR A 10 -10.087 7.861 4.631 1.00 0.37 H new ATOM 0 HG22 THR A 10 -9.615 7.471 2.960 1.00 0.37 H new ATOM 0 HG23 THR A 10 -8.951 8.916 3.758 1.00 0.37 H new ATOM 147 N LEU A 11 -11.088 7.896 0.203 1.00 0.39 N ATOM 148 CA LEU A 11 -10.689 6.781 -0.701 1.00 0.37 C ATOM 149 C LEU A 11 -10.066 7.336 -1.990 1.00 0.45 C ATOM 150 O LEU A 11 -9.019 6.894 -2.415 1.00 0.68 O ATOM 151 CB LEU A 11 -11.921 5.940 -1.046 1.00 0.35 C ATOM 152 CG LEU A 11 -11.619 4.460 -0.789 1.00 0.30 C ATOM 153 CD1 LEU A 11 -11.406 4.230 0.709 1.00 0.40 C ATOM 154 CD2 LEU A 11 -12.796 3.607 -1.269 1.00 0.46 C ATOM 0 H LEU A 11 -12.092 8.064 0.269 1.00 0.39 H new ATOM 0 HA LEU A 11 -9.951 6.160 -0.194 1.00 0.37 H new ATOM 0 HB2 LEU A 11 -12.772 6.258 -0.444 1.00 0.35 H new ATOM 0 HB3 LEU A 11 -12.196 6.090 -2.090 1.00 0.35 H new ATOM 0 HG LEU A 11 -10.717 4.178 -1.332 1.00 0.30 H new ATOM 0 HD11 LEU A 11 -11.191 3.177 0.888 1.00 0.40 H new ATOM 0 HD12 LEU A 11 -10.568 4.835 1.054 1.00 0.40 H new ATOM 0 HD13 LEU A 11 -12.307 4.514 1.253 1.00 0.40 H new ATOM 0 HD21 LEU A 11 -12.581 2.554 -1.086 1.00 0.46 H new ATOM 0 HD22 LEU A 11 -13.697 3.893 -0.727 1.00 0.46 H new ATOM 0 HD23 LEU A 11 -12.949 3.766 -2.336 1.00 0.46 H new ATOM 166 N GLN A 12 -10.700 8.288 -2.622 1.00 0.27 N ATOM 167 CA GLN A 12 -10.130 8.843 -3.887 1.00 0.34 C ATOM 168 C GLN A 12 -8.708 9.355 -3.638 1.00 0.35 C ATOM 169 O GLN A 12 -7.805 9.110 -4.418 1.00 0.39 O ATOM 170 CB GLN A 12 -11.015 9.982 -4.405 1.00 0.34 C ATOM 171 CG GLN A 12 -11.150 11.068 -3.337 1.00 1.30 C ATOM 172 CD GLN A 12 -12.151 12.122 -3.812 1.00 1.70 C ATOM 173 OE1 GLN A 12 -13.345 11.900 -3.786 1.00 2.01 O ATOM 174 NE2 GLN A 12 -11.712 13.271 -4.250 1.00 2.11 N ATOM 0 H GLN A 12 -11.581 8.704 -2.321 1.00 0.27 H new ATOM 0 HA GLN A 12 -10.096 8.053 -4.638 1.00 0.34 H new ATOM 0 HB2 GLN A 12 -10.584 10.405 -5.312 1.00 0.34 H new ATOM 0 HB3 GLN A 12 -12.000 9.597 -4.670 1.00 0.34 H new ATOM 0 HG2 GLN A 12 -11.484 10.630 -2.397 1.00 1.30 H new ATOM 0 HG3 GLN A 12 -10.181 11.530 -3.147 1.00 1.30 H new ATOM 0 HE21 GLN A 12 -10.710 13.459 -4.272 1.00 2.11 H new ATOM 0 HE22 GLN A 12 -12.371 13.981 -4.570 1.00 2.11 H new ATOM 183 N GLU A 13 -8.493 10.053 -2.559 1.00 0.32 N ATOM 184 CA GLU A 13 -7.122 10.560 -2.269 1.00 0.34 C ATOM 185 C GLU A 13 -6.204 9.364 -2.020 1.00 0.33 C ATOM 186 O GLU A 13 -5.042 9.368 -2.382 1.00 0.33 O ATOM 187 CB GLU A 13 -7.152 11.453 -1.026 1.00 0.33 C ATOM 188 CG GLU A 13 -6.482 12.792 -1.343 1.00 0.57 C ATOM 189 CD GLU A 13 -4.966 12.659 -1.184 1.00 1.98 C ATOM 190 OE1 GLU A 13 -4.496 11.536 -1.099 1.00 3.11 O ATOM 191 OE2 GLU A 13 -4.302 13.681 -1.149 1.00 2.50 O ATOM 0 H GLU A 13 -9.203 10.294 -1.868 1.00 0.32 H new ATOM 0 HA GLU A 13 -6.755 11.144 -3.113 1.00 0.34 H new ATOM 0 HB2 GLU A 13 -8.181 11.616 -0.707 1.00 0.33 H new ATOM 0 HB3 GLU A 13 -6.636 10.963 -0.200 1.00 0.33 H new ATOM 0 HG2 GLU A 13 -6.725 13.100 -2.360 1.00 0.57 H new ATOM 0 HG3 GLU A 13 -6.861 13.566 -0.676 1.00 0.57 H new ATOM 198 N ILE A 14 -6.723 8.336 -1.409 1.00 0.33 N ATOM 199 CA ILE A 14 -5.896 7.128 -1.137 1.00 0.33 C ATOM 200 C ILE A 14 -5.501 6.469 -2.463 1.00 0.36 C ATOM 201 O ILE A 14 -4.515 5.764 -2.543 1.00 0.35 O ATOM 202 CB ILE A 14 -6.704 6.144 -0.285 1.00 0.29 C ATOM 203 CG1 ILE A 14 -6.211 6.209 1.162 1.00 0.27 C ATOM 204 CG2 ILE A 14 -6.525 4.720 -0.819 1.00 0.39 C ATOM 205 CD1 ILE A 14 -7.406 6.125 2.116 1.00 0.26 C ATOM 0 H ILE A 14 -7.689 8.281 -1.085 1.00 0.33 H new ATOM 0 HA ILE A 14 -4.992 7.414 -0.598 1.00 0.33 H new ATOM 0 HB ILE A 14 -7.760 6.412 -0.330 1.00 0.29 H new ATOM 0 HG12 ILE A 14 -5.518 5.391 1.358 1.00 0.27 H new ATOM 0 HG13 ILE A 14 -5.664 7.137 1.329 1.00 0.27 H new ATOM 0 HG21 ILE A 14 -7.103 4.027 -0.208 1.00 0.39 H new ATOM 0 HG22 ILE A 14 -6.874 4.672 -1.850 1.00 0.39 H new ATOM 0 HG23 ILE A 14 -5.471 4.446 -0.780 1.00 0.39 H new ATOM 0 HD11 ILE A 14 -7.053 6.171 3.146 1.00 0.26 H new ATOM 0 HD12 ILE A 14 -8.082 6.958 1.926 1.00 0.26 H new ATOM 0 HD13 ILE A 14 -7.934 5.185 1.955 1.00 0.26 H new ATOM 217 N ILE A 15 -6.260 6.690 -3.505 1.00 0.45 N ATOM 218 CA ILE A 15 -5.922 6.076 -4.819 1.00 0.52 C ATOM 219 C ILE A 15 -4.742 6.822 -5.440 1.00 0.59 C ATOM 220 O ILE A 15 -3.779 6.225 -5.876 1.00 0.65 O ATOM 221 CB ILE A 15 -7.132 6.173 -5.751 1.00 0.58 C ATOM 222 CG1 ILE A 15 -7.880 4.841 -5.755 1.00 0.66 C ATOM 223 CG2 ILE A 15 -6.665 6.495 -7.174 1.00 0.82 C ATOM 224 CD1 ILE A 15 -8.471 4.587 -4.369 1.00 1.66 C ATOM 0 H ILE A 15 -7.099 7.270 -3.500 1.00 0.45 H new ATOM 0 HA ILE A 15 -5.656 5.029 -4.674 1.00 0.52 H new ATOM 0 HB ILE A 15 -7.793 6.965 -5.399 1.00 0.58 H new ATOM 0 HG12 ILE A 15 -8.673 4.859 -6.503 1.00 0.66 H new ATOM 0 HG13 ILE A 15 -7.203 4.032 -6.028 1.00 0.66 H new ATOM 0 HG21 ILE A 15 -7.530 6.563 -7.834 1.00 0.82 H new ATOM 0 HG22 ILE A 15 -6.132 7.446 -7.176 1.00 0.82 H new ATOM 0 HG23 ILE A 15 -6.001 5.706 -7.526 1.00 0.82 H new ATOM 0 HD11 ILE A 15 -9.005 3.637 -4.370 1.00 1.66 H new ATOM 0 HD12 ILE A 15 -7.669 4.551 -3.632 1.00 1.66 H new ATOM 0 HD13 ILE A 15 -9.161 5.391 -4.115 1.00 1.66 H new ATOM 236 N LYS A 16 -4.811 8.124 -5.486 1.00 0.58 N ATOM 237 CA LYS A 16 -3.693 8.910 -6.084 1.00 0.64 C ATOM 238 C LYS A 16 -2.373 8.529 -5.406 1.00 0.61 C ATOM 239 O LYS A 16 -1.382 8.256 -6.057 1.00 0.58 O ATOM 240 CB LYS A 16 -3.956 10.405 -5.884 1.00 0.71 C ATOM 241 CG LYS A 16 -4.941 10.897 -6.947 1.00 0.33 C ATOM 242 CD LYS A 16 -6.211 11.412 -6.264 1.00 1.15 C ATOM 243 CE LYS A 16 -7.420 11.146 -7.162 1.00 1.39 C ATOM 244 NZ LYS A 16 -7.775 12.392 -7.898 1.00 1.17 N ATOM 0 H LYS A 16 -5.592 8.678 -5.136 1.00 0.58 H new ATOM 0 HA LYS A 16 -3.628 8.690 -7.150 1.00 0.64 H new ATOM 0 HB2 LYS A 16 -4.360 10.584 -4.888 1.00 0.71 H new ATOM 0 HB3 LYS A 16 -3.022 10.962 -5.953 1.00 0.71 H new ATOM 0 HG2 LYS A 16 -4.487 11.691 -7.540 1.00 0.33 H new ATOM 0 HG3 LYS A 16 -5.187 10.087 -7.633 1.00 0.33 H new ATOM 0 HD2 LYS A 16 -6.344 10.918 -5.302 1.00 1.15 H new ATOM 0 HD3 LYS A 16 -6.121 12.480 -6.064 1.00 1.15 H new ATOM 0 HE2 LYS A 16 -7.194 10.346 -7.867 1.00 1.39 H new ATOM 0 HE3 LYS A 16 -8.266 10.812 -6.562 1.00 1.39 H new ATOM 0 HZ1 LYS A 16 -8.597 12.212 -8.509 1.00 1.17 H new ATOM 0 HZ2 LYS A 16 -8.007 13.143 -7.217 1.00 1.17 H new ATOM 0 HZ3 LYS A 16 -6.969 12.692 -8.482 1.00 1.17 H new ATOM 258 N THR A 17 -2.356 8.505 -4.104 1.00 0.61 N ATOM 259 CA THR A 17 -1.103 8.141 -3.378 1.00 0.59 C ATOM 260 C THR A 17 -0.714 6.701 -3.723 1.00 0.52 C ATOM 261 O THR A 17 0.446 6.387 -3.924 1.00 0.48 O ATOM 262 CB THR A 17 -1.341 8.266 -1.871 1.00 0.60 C ATOM 263 OG1 THR A 17 -1.438 9.640 -1.523 1.00 1.30 O ATOM 264 CG2 THR A 17 -0.179 7.628 -1.108 1.00 0.76 C ATOM 0 H THR A 17 -3.155 8.721 -3.508 1.00 0.61 H new ATOM 0 HA THR A 17 -0.296 8.811 -3.675 1.00 0.59 H new ATOM 0 HB THR A 17 -2.267 7.754 -1.608 1.00 0.60 H new ATOM 0 HG1 THR A 17 -1.592 9.723 -0.559 1.00 1.30 H new ATOM 0 HG21 THR A 17 -0.354 7.720 -0.036 1.00 0.76 H new ATOM 0 HG22 THR A 17 -0.104 6.574 -1.374 1.00 0.76 H new ATOM 0 HG23 THR A 17 0.750 8.135 -1.369 1.00 0.76 H new ATOM 272 N LEU A 18 -1.675 5.825 -3.799 1.00 0.52 N ATOM 273 CA LEU A 18 -1.367 4.406 -4.134 1.00 0.48 C ATOM 274 C LEU A 18 -0.670 4.349 -5.498 1.00 0.39 C ATOM 275 O LEU A 18 0.101 3.453 -5.775 1.00 0.33 O ATOM 276 CB LEU A 18 -2.682 3.609 -4.185 1.00 0.56 C ATOM 277 CG LEU A 18 -2.424 2.101 -4.369 1.00 0.24 C ATOM 278 CD1 LEU A 18 -2.139 1.791 -5.838 1.00 0.93 C ATOM 279 CD2 LEU A 18 -1.235 1.648 -3.518 1.00 1.03 C ATOM 0 H LEU A 18 -2.662 6.030 -3.644 1.00 0.52 H new ATOM 0 HA LEU A 18 -0.710 3.976 -3.378 1.00 0.48 H new ATOM 0 HB2 LEU A 18 -3.244 3.773 -3.265 1.00 0.56 H new ATOM 0 HB3 LEU A 18 -3.299 3.976 -5.005 1.00 0.56 H new ATOM 0 HG LEU A 18 -3.316 1.563 -4.048 1.00 0.24 H new ATOM 0 HD11 LEU A 18 -1.958 0.723 -5.956 1.00 0.93 H new ATOM 0 HD12 LEU A 18 -2.996 2.083 -6.444 1.00 0.93 H new ATOM 0 HD13 LEU A 18 -1.259 2.346 -6.163 1.00 0.93 H new ATOM 0 HD21 LEU A 18 -1.070 0.580 -3.663 1.00 1.03 H new ATOM 0 HD22 LEU A 18 -0.343 2.197 -3.818 1.00 1.03 H new ATOM 0 HD23 LEU A 18 -1.445 1.844 -2.466 1.00 1.03 H new ATOM 291 N ASN A 19 -0.944 5.296 -6.354 1.00 0.61 N ATOM 292 CA ASN A 19 -0.310 5.294 -7.702 1.00 0.51 C ATOM 293 C ASN A 19 1.143 5.768 -7.600 1.00 0.55 C ATOM 294 O ASN A 19 2.016 5.260 -8.275 1.00 0.62 O ATOM 295 CB ASN A 19 -1.088 6.234 -8.626 1.00 0.68 C ATOM 296 CG ASN A 19 -1.758 5.422 -9.735 1.00 0.54 C ATOM 297 OD1 ASN A 19 -2.162 4.295 -9.521 1.00 1.52 O ATOM 298 ND2 ASN A 19 -1.895 5.949 -10.921 1.00 0.19 N ATOM 0 H ASN A 19 -1.581 6.072 -6.177 1.00 0.61 H new ATOM 0 HA ASN A 19 -0.326 4.281 -8.105 1.00 0.51 H new ATOM 0 HB2 ASN A 19 -1.840 6.781 -8.057 1.00 0.68 H new ATOM 0 HB3 ASN A 19 -0.415 6.974 -9.059 1.00 0.68 H new ATOM 0 HD21 ASN A 19 -2.341 5.416 -11.668 1.00 0.19 H new ATOM 0 HD22 ASN A 19 -1.556 6.894 -11.101 1.00 0.19 H new ATOM 305 N SER A 20 1.410 6.744 -6.774 1.00 0.65 N ATOM 306 CA SER A 20 2.811 7.249 -6.652 1.00 0.79 C ATOM 307 C SER A 20 3.725 6.147 -6.108 1.00 0.73 C ATOM 308 O SER A 20 4.898 6.099 -6.423 1.00 0.87 O ATOM 309 CB SER A 20 2.852 8.451 -5.709 1.00 0.98 C ATOM 310 OG SER A 20 1.826 8.327 -4.736 1.00 1.56 O ATOM 0 H SER A 20 0.724 7.212 -6.181 1.00 0.65 H new ATOM 0 HA SER A 20 3.159 7.550 -7.640 1.00 0.79 H new ATOM 0 HB2 SER A 20 3.825 8.510 -5.221 1.00 0.98 H new ATOM 0 HB3 SER A 20 2.722 9.374 -6.274 1.00 0.98 H new ATOM 0 HG SER A 20 1.968 8.986 -4.025 1.00 1.56 H new ATOM 316 N LEU A 21 3.214 5.264 -5.292 1.00 0.57 N ATOM 317 CA LEU A 21 4.086 4.179 -4.746 1.00 0.59 C ATOM 318 C LEU A 21 4.502 3.234 -5.879 1.00 0.61 C ATOM 319 O LEU A 21 5.526 2.583 -5.810 1.00 0.64 O ATOM 320 CB LEU A 21 3.335 3.384 -3.674 1.00 0.48 C ATOM 321 CG LEU A 21 4.074 3.502 -2.340 1.00 1.35 C ATOM 322 CD1 LEU A 21 4.197 4.976 -1.951 1.00 2.00 C ATOM 323 CD2 LEU A 21 3.290 2.751 -1.261 1.00 1.88 C ATOM 0 H LEU A 21 2.243 5.245 -4.982 1.00 0.57 H new ATOM 0 HA LEU A 21 4.972 4.632 -4.300 1.00 0.59 H new ATOM 0 HB2 LEU A 21 2.317 3.761 -3.573 1.00 0.48 H new ATOM 0 HB3 LEU A 21 3.259 2.337 -3.969 1.00 0.48 H new ATOM 0 HG LEU A 21 5.071 3.071 -2.435 1.00 1.35 H new ATOM 0 HD11 LEU A 21 4.724 5.059 -1.000 1.00 2.00 H new ATOM 0 HD12 LEU A 21 4.753 5.510 -2.721 1.00 2.00 H new ATOM 0 HD13 LEU A 21 3.202 5.411 -1.854 1.00 2.00 H new ATOM 0 HD21 LEU A 21 3.813 2.832 -0.308 1.00 1.88 H new ATOM 0 HD22 LEU A 21 2.294 3.184 -1.167 1.00 1.88 H new ATOM 0 HD23 LEU A 21 3.203 1.701 -1.539 1.00 1.88 H new ATOM 335 N THR A 22 3.716 3.146 -6.920 1.00 0.59 N ATOM 336 CA THR A 22 4.073 2.238 -8.048 1.00 0.60 C ATOM 337 C THR A 22 5.139 2.885 -8.944 1.00 0.62 C ATOM 338 O THR A 22 5.743 2.223 -9.762 1.00 0.77 O ATOM 339 CB THR A 22 2.824 1.947 -8.883 1.00 0.57 C ATOM 340 OG1 THR A 22 1.734 1.661 -8.020 1.00 1.15 O ATOM 341 CG2 THR A 22 3.091 0.747 -9.791 1.00 1.14 C ATOM 0 H THR A 22 2.844 3.663 -7.037 1.00 0.59 H new ATOM 0 HA THR A 22 4.472 1.311 -7.636 1.00 0.60 H new ATOM 0 HB THR A 22 2.581 2.816 -9.494 1.00 0.57 H new ATOM 0 HG1 THR A 22 0.933 1.476 -8.554 1.00 1.15 H new ATOM 0 HG21 THR A 22 2.203 0.537 -10.387 1.00 1.14 H new ATOM 0 HG22 THR A 22 3.928 0.970 -10.453 1.00 1.14 H new ATOM 0 HG23 THR A 22 3.333 -0.124 -9.182 1.00 1.14 H new ATOM 349 N GLU A 23 5.376 4.167 -8.805 1.00 0.50 N ATOM 350 CA GLU A 23 6.404 4.837 -9.658 1.00 0.51 C ATOM 351 C GLU A 23 7.726 4.073 -9.565 1.00 0.57 C ATOM 352 O GLU A 23 8.407 3.866 -10.549 1.00 0.66 O ATOM 353 CB GLU A 23 6.610 6.274 -9.174 1.00 0.57 C ATOM 354 CG GLU A 23 5.376 7.112 -9.520 1.00 1.62 C ATOM 355 CD GLU A 23 5.445 8.452 -8.786 1.00 1.87 C ATOM 356 OE1 GLU A 23 5.219 8.462 -7.586 1.00 3.00 O ATOM 357 OE2 GLU A 23 5.723 9.447 -9.436 1.00 1.45 O ATOM 0 H GLU A 23 4.902 4.777 -8.138 1.00 0.50 H new ATOM 0 HA GLU A 23 6.064 4.847 -10.694 1.00 0.51 H new ATOM 0 HB2 GLU A 23 6.780 6.285 -8.097 1.00 0.57 H new ATOM 0 HB3 GLU A 23 7.496 6.703 -9.641 1.00 0.57 H new ATOM 0 HG2 GLU A 23 5.326 7.277 -10.596 1.00 1.62 H new ATOM 0 HG3 GLU A 23 4.469 6.577 -9.237 1.00 1.62 H new ATOM 364 N GLN A 24 8.085 3.642 -8.389 1.00 0.56 N ATOM 365 CA GLN A 24 9.354 2.878 -8.226 1.00 0.63 C ATOM 366 C GLN A 24 9.013 1.419 -7.926 1.00 0.69 C ATOM 367 O GLN A 24 9.276 0.917 -6.850 1.00 0.77 O ATOM 368 CB GLN A 24 10.158 3.461 -7.062 1.00 0.74 C ATOM 369 CG GLN A 24 11.203 4.438 -7.603 1.00 0.19 C ATOM 370 CD GLN A 24 12.505 3.686 -7.886 1.00 1.52 C ATOM 371 OE1 GLN A 24 12.647 3.061 -8.918 1.00 2.60 O ATOM 372 NE2 GLN A 24 13.468 3.721 -7.006 1.00 1.99 N ATOM 0 H GLN A 24 7.553 3.786 -7.531 1.00 0.56 H new ATOM 0 HA GLN A 24 9.946 2.944 -9.139 1.00 0.63 H new ATOM 0 HB2 GLN A 24 9.493 3.972 -6.366 1.00 0.74 H new ATOM 0 HB3 GLN A 24 10.646 2.660 -6.506 1.00 0.74 H new ATOM 0 HG2 GLN A 24 10.837 4.910 -8.515 1.00 0.19 H new ATOM 0 HG3 GLN A 24 11.380 5.235 -6.881 1.00 0.19 H new ATOM 0 HE21 GLN A 24 13.348 4.246 -6.140 1.00 1.99 H new ATOM 0 HE22 GLN A 24 14.340 3.223 -7.185 1.00 1.99 H new ATOM 381 N LYS A 25 8.415 0.737 -8.862 1.00 0.66 N ATOM 382 CA LYS A 25 8.044 -0.684 -8.619 1.00 0.74 C ATOM 383 C LYS A 25 9.083 -1.614 -9.250 1.00 0.72 C ATOM 384 O LYS A 25 8.752 -2.492 -10.022 1.00 0.91 O ATOM 385 CB LYS A 25 6.668 -0.964 -9.233 1.00 0.92 C ATOM 386 CG LYS A 25 6.689 -0.622 -10.725 1.00 1.73 C ATOM 387 CD LYS A 25 5.593 -1.413 -11.444 1.00 2.40 C ATOM 388 CE LYS A 25 6.202 -2.667 -12.071 1.00 3.30 C ATOM 389 NZ LYS A 25 6.240 -2.514 -13.554 1.00 4.69 N ATOM 0 H LYS A 25 8.168 1.101 -9.782 1.00 0.66 H new ATOM 0 HA LYS A 25 8.011 -0.865 -7.545 1.00 0.74 H new ATOM 0 HB2 LYS A 25 6.404 -2.012 -9.094 1.00 0.92 H new ATOM 0 HB3 LYS A 25 5.906 -0.373 -8.725 1.00 0.92 H new ATOM 0 HG2 LYS A 25 6.533 0.447 -10.866 1.00 1.73 H new ATOM 0 HG3 LYS A 25 7.664 -0.861 -11.150 1.00 1.73 H new ATOM 0 HD2 LYS A 25 4.807 -1.689 -10.741 1.00 2.40 H new ATOM 0 HD3 LYS A 25 5.129 -0.796 -12.214 1.00 2.40 H new ATOM 0 HE2 LYS A 25 7.209 -2.827 -11.685 1.00 3.30 H new ATOM 0 HE3 LYS A 25 5.614 -3.544 -11.800 1.00 3.30 H new ATOM 0 HZ1 LYS A 25 6.654 -3.367 -13.981 1.00 4.69 H new ATOM 0 HZ2 LYS A 25 5.273 -2.381 -13.914 1.00 4.69 H new ATOM 0 HZ3 LYS A 25 6.819 -1.687 -13.803 1.00 4.69 H new ATOM 403 N THR A 26 10.335 -1.436 -8.929 1.00 0.55 N ATOM 404 CA THR A 26 11.381 -2.322 -9.516 1.00 0.64 C ATOM 405 C THR A 26 12.550 -2.461 -8.540 1.00 0.60 C ATOM 406 O THR A 26 12.811 -3.529 -8.022 1.00 0.78 O ATOM 407 CB THR A 26 11.883 -1.721 -10.832 1.00 0.74 C ATOM 408 OG1 THR A 26 10.813 -1.675 -11.766 1.00 1.32 O ATOM 409 CG2 THR A 26 13.014 -2.585 -11.394 1.00 2.02 C ATOM 0 H THR A 26 10.678 -0.720 -8.289 1.00 0.55 H new ATOM 0 HA THR A 26 10.952 -3.306 -9.705 1.00 0.64 H new ATOM 0 HB THR A 26 12.256 -0.713 -10.652 1.00 0.74 H new ATOM 0 HG1 THR A 26 11.131 -1.289 -12.609 1.00 1.32 H new ATOM 0 HG21 THR A 26 13.369 -2.155 -12.330 1.00 2.02 H new ATOM 0 HG22 THR A 26 13.834 -2.622 -10.677 1.00 2.02 H new ATOM 0 HG23 THR A 26 12.645 -3.595 -11.575 1.00 2.02 H new ATOM 417 N LEU A 27 13.261 -1.397 -8.288 1.00 0.50 N ATOM 418 CA LEU A 27 14.414 -1.481 -7.348 1.00 0.49 C ATOM 419 C LEU A 27 13.900 -1.606 -5.915 1.00 0.36 C ATOM 420 O LEU A 27 14.345 -2.444 -5.160 1.00 0.47 O ATOM 421 CB LEU A 27 15.276 -0.224 -7.482 1.00 0.47 C ATOM 422 CG LEU A 27 16.688 -0.622 -7.912 1.00 0.39 C ATOM 423 CD1 LEU A 27 17.467 0.625 -8.334 1.00 1.10 C ATOM 424 CD2 LEU A 27 17.406 -1.299 -6.742 1.00 1.58 C ATOM 0 H LEU A 27 13.094 -0.475 -8.691 1.00 0.50 H new ATOM 0 HA LEU A 27 15.016 -2.357 -7.590 1.00 0.49 H new ATOM 0 HB2 LEU A 27 14.838 0.454 -8.214 1.00 0.47 H new ATOM 0 HB3 LEU A 27 15.310 0.310 -6.533 1.00 0.47 H new ATOM 0 HG LEU A 27 16.628 -1.313 -8.753 1.00 0.39 H new ATOM 0 HD11 LEU A 27 18.473 0.339 -8.640 1.00 1.10 H new ATOM 0 HD12 LEU A 27 16.957 1.107 -9.168 1.00 1.10 H new ATOM 0 HD13 LEU A 27 17.526 1.318 -7.495 1.00 1.10 H new ATOM 0 HD21 LEU A 27 18.413 -1.583 -7.048 1.00 1.58 H new ATOM 0 HD22 LEU A 27 17.464 -0.608 -5.901 1.00 1.58 H new ATOM 0 HD23 LEU A 27 16.853 -2.189 -6.442 1.00 1.58 H new ATOM 436 N CYS A 28 12.960 -0.792 -5.532 1.00 0.21 N ATOM 437 CA CYS A 28 12.425 -0.892 -4.144 1.00 0.25 C ATOM 438 C CYS A 28 11.516 -2.122 -4.024 1.00 0.22 C ATOM 439 O CYS A 28 11.147 -2.521 -2.937 1.00 0.37 O ATOM 440 CB CYS A 28 11.633 0.369 -3.800 1.00 0.29 C ATOM 441 SG CYS A 28 12.153 0.971 -2.173 1.00 0.75 S ATOM 0 H CYS A 28 12.540 -0.066 -6.113 1.00 0.21 H new ATOM 0 HA CYS A 28 13.258 -0.992 -3.448 1.00 0.25 H new ATOM 0 HB2 CYS A 28 11.801 1.136 -4.556 1.00 0.29 H new ATOM 0 HB3 CYS A 28 10.565 0.153 -3.797 1.00 0.29 H new ATOM 446 N THR A 29 11.158 -2.737 -5.123 1.00 0.34 N ATOM 447 CA THR A 29 10.288 -3.943 -5.049 1.00 0.47 C ATOM 448 C THR A 29 11.146 -5.207 -4.907 1.00 0.72 C ATOM 449 O THR A 29 10.654 -6.311 -5.039 1.00 0.82 O ATOM 450 CB THR A 29 9.440 -4.043 -6.315 1.00 0.71 C ATOM 451 OG1 THR A 29 10.268 -3.874 -7.456 1.00 0.83 O ATOM 452 CG2 THR A 29 8.368 -2.956 -6.289 1.00 0.70 C ATOM 0 H THR A 29 11.431 -2.455 -6.064 1.00 0.34 H new ATOM 0 HA THR A 29 9.637 -3.855 -4.179 1.00 0.47 H new ATOM 0 HB THR A 29 8.963 -5.022 -6.361 1.00 0.71 H new ATOM 0 HG1 THR A 29 11.195 -4.092 -7.223 1.00 0.83 H new ATOM 0 HG21 THR A 29 7.760 -3.023 -7.191 1.00 0.70 H new ATOM 0 HG22 THR A 29 7.734 -3.091 -5.413 1.00 0.70 H new ATOM 0 HG23 THR A 29 8.844 -1.976 -6.245 1.00 0.70 H new ATOM 460 N GLU A 30 12.421 -5.068 -4.633 1.00 0.90 N ATOM 461 CA GLU A 30 13.289 -6.268 -4.477 1.00 1.23 C ATOM 462 C GLU A 30 13.287 -6.722 -3.008 1.00 1.29 C ATOM 463 O GLU A 30 14.292 -7.154 -2.481 1.00 1.64 O ATOM 464 CB GLU A 30 14.716 -5.912 -4.904 1.00 1.43 C ATOM 465 CG GLU A 30 15.297 -4.885 -3.930 1.00 2.70 C ATOM 466 CD GLU A 30 16.410 -5.534 -3.104 1.00 3.55 C ATOM 467 OE1 GLU A 30 17.285 -6.141 -3.699 1.00 3.36 O ATOM 468 OE2 GLU A 30 16.367 -5.413 -1.891 1.00 4.51 O ATOM 0 H GLU A 30 12.894 -4.173 -4.511 1.00 0.90 H new ATOM 0 HA GLU A 30 12.910 -7.078 -5.100 1.00 1.23 H new ATOM 0 HB2 GLU A 30 15.337 -6.808 -4.919 1.00 1.43 H new ATOM 0 HB3 GLU A 30 14.714 -5.509 -5.917 1.00 1.43 H new ATOM 0 HG2 GLU A 30 15.690 -4.029 -4.479 1.00 2.70 H new ATOM 0 HG3 GLU A 30 14.514 -4.509 -3.272 1.00 2.70 H new ATOM 475 N LEU A 31 12.160 -6.639 -2.350 1.00 1.00 N ATOM 476 CA LEU A 31 12.071 -7.068 -0.929 1.00 1.15 C ATOM 477 C LEU A 31 10.784 -7.878 -0.772 1.00 1.18 C ATOM 478 O LEU A 31 9.729 -7.332 -0.514 1.00 1.84 O ATOM 479 CB LEU A 31 12.019 -5.839 -0.013 1.00 1.09 C ATOM 480 CG LEU A 31 13.287 -4.995 -0.187 1.00 1.07 C ATOM 481 CD1 LEU A 31 12.899 -3.535 -0.429 1.00 1.04 C ATOM 482 CD2 LEU A 31 14.140 -5.091 1.081 1.00 1.79 C ATOM 0 H LEU A 31 11.288 -6.287 -2.745 1.00 1.00 H new ATOM 0 HA LEU A 31 12.941 -7.665 -0.656 1.00 1.15 H new ATOM 0 HB2 LEU A 31 11.139 -5.239 -0.247 1.00 1.09 H new ATOM 0 HB3 LEU A 31 11.923 -6.154 1.026 1.00 1.09 H new ATOM 0 HG LEU A 31 13.857 -5.366 -1.039 1.00 1.07 H new ATOM 0 HD11 LEU A 31 13.800 -2.935 -0.553 1.00 1.04 H new ATOM 0 HD12 LEU A 31 12.290 -3.465 -1.330 1.00 1.04 H new ATOM 0 HD13 LEU A 31 12.330 -3.164 0.423 1.00 1.04 H new ATOM 0 HD21 LEU A 31 15.042 -4.491 0.959 1.00 1.79 H new ATOM 0 HD22 LEU A 31 13.570 -4.719 1.932 1.00 1.79 H new ATOM 0 HD23 LEU A 31 14.416 -6.131 1.256 1.00 1.79 H new ATOM 494 N THR A 32 10.873 -9.169 -0.966 1.00 0.65 N ATOM 495 CA THR A 32 9.674 -10.066 -0.874 1.00 0.60 C ATOM 496 C THR A 32 8.766 -9.666 0.295 1.00 0.55 C ATOM 497 O THR A 32 9.219 -9.214 1.328 1.00 0.64 O ATOM 498 CB THR A 32 10.142 -11.510 -0.683 1.00 0.64 C ATOM 499 OG1 THR A 32 11.223 -11.539 0.238 1.00 0.78 O ATOM 500 CG2 THR A 32 10.599 -12.079 -2.027 1.00 0.70 C ATOM 0 H THR A 32 11.743 -9.652 -1.189 1.00 0.65 H new ATOM 0 HA THR A 32 9.101 -9.971 -1.796 1.00 0.60 H new ATOM 0 HB THR A 32 9.320 -12.111 -0.296 1.00 0.64 H new ATOM 0 HG1 THR A 32 11.522 -12.464 0.362 1.00 0.78 H new ATOM 0 HG21 THR A 32 10.933 -13.108 -1.892 1.00 0.70 H new ATOM 0 HG22 THR A 32 9.769 -12.056 -2.733 1.00 0.70 H new ATOM 0 HG23 THR A 32 11.422 -11.479 -2.415 1.00 0.70 H new ATOM 508 N VAL A 33 7.481 -9.831 0.127 1.00 0.42 N ATOM 509 CA VAL A 33 6.521 -9.466 1.206 1.00 0.37 C ATOM 510 C VAL A 33 5.423 -10.541 1.262 1.00 0.33 C ATOM 511 O VAL A 33 5.705 -11.708 1.093 1.00 0.64 O ATOM 512 CB VAL A 33 5.926 -8.089 0.891 1.00 0.29 C ATOM 513 CG1 VAL A 33 7.057 -7.072 0.720 1.00 0.22 C ATOM 514 CG2 VAL A 33 5.115 -8.167 -0.405 1.00 0.25 C ATOM 0 H VAL A 33 7.053 -10.206 -0.719 1.00 0.42 H new ATOM 0 HA VAL A 33 7.018 -9.416 2.175 1.00 0.37 H new ATOM 0 HB VAL A 33 5.276 -7.779 1.710 1.00 0.29 H new ATOM 0 HG11 VAL A 33 6.635 -6.092 0.496 1.00 0.22 H new ATOM 0 HG12 VAL A 33 7.637 -7.015 1.641 1.00 0.22 H new ATOM 0 HG13 VAL A 33 7.706 -7.383 -0.099 1.00 0.22 H new ATOM 0 HG21 VAL A 33 4.692 -7.188 -0.629 1.00 0.25 H new ATOM 0 HG22 VAL A 33 5.765 -8.477 -1.223 1.00 0.25 H new ATOM 0 HG23 VAL A 33 4.310 -8.892 -0.287 1.00 0.25 H new ATOM 524 N THR A 34 4.183 -10.182 1.495 1.00 0.35 N ATOM 525 CA THR A 34 3.115 -11.221 1.547 1.00 0.35 C ATOM 526 C THR A 34 2.149 -11.017 0.375 1.00 0.32 C ATOM 527 O THR A 34 1.793 -9.905 0.037 1.00 0.35 O ATOM 528 CB THR A 34 2.355 -11.104 2.877 1.00 0.47 C ATOM 529 OG1 THR A 34 2.669 -12.221 3.696 1.00 0.47 O ATOM 530 CG2 THR A 34 0.845 -11.068 2.622 1.00 0.49 C ATOM 0 H THR A 34 3.870 -9.224 1.650 1.00 0.35 H new ATOM 0 HA THR A 34 3.562 -12.212 1.475 1.00 0.35 H new ATOM 0 HB THR A 34 2.652 -10.182 3.377 1.00 0.47 H new ATOM 0 HG1 THR A 34 2.187 -12.149 4.546 1.00 0.47 H new ATOM 0 HG21 THR A 34 0.317 -10.985 3.572 1.00 0.49 H new ATOM 0 HG22 THR A 34 0.602 -10.209 1.996 1.00 0.49 H new ATOM 0 HG23 THR A 34 0.539 -11.984 2.116 1.00 0.49 H new ATOM 538 N ASP A 35 1.716 -12.083 -0.243 1.00 0.32 N ATOM 539 CA ASP A 35 0.768 -11.950 -1.385 1.00 0.42 C ATOM 540 C ASP A 35 -0.655 -12.201 -0.885 1.00 0.56 C ATOM 541 O ASP A 35 -0.968 -13.261 -0.382 1.00 0.59 O ATOM 542 CB ASP A 35 1.124 -12.975 -2.465 1.00 0.55 C ATOM 543 CG ASP A 35 -0.154 -13.483 -3.137 1.00 0.68 C ATOM 544 OD1 ASP A 35 -0.713 -14.449 -2.648 1.00 1.73 O ATOM 545 OD2 ASP A 35 -0.551 -12.897 -4.130 1.00 0.93 O ATOM 0 H ASP A 35 1.978 -13.040 -0.006 1.00 0.32 H new ATOM 0 HA ASP A 35 0.835 -10.947 -1.807 1.00 0.42 H new ATOM 0 HB2 ASP A 35 1.781 -12.522 -3.207 1.00 0.55 H new ATOM 0 HB3 ASP A 35 1.670 -13.809 -2.023 1.00 0.55 H new ATOM 550 N ILE A 36 -1.518 -11.230 -1.008 1.00 0.70 N ATOM 551 CA ILE A 36 -2.915 -11.414 -0.525 1.00 0.89 C ATOM 552 C ILE A 36 -3.901 -11.394 -1.702 1.00 1.00 C ATOM 553 O ILE A 36 -5.092 -11.245 -1.513 1.00 1.10 O ATOM 554 CB ILE A 36 -3.257 -10.287 0.454 1.00 0.80 C ATOM 555 CG1 ILE A 36 -3.865 -9.108 -0.308 1.00 0.76 C ATOM 556 CG2 ILE A 36 -1.982 -9.823 1.162 1.00 0.76 C ATOM 557 CD1 ILE A 36 -3.664 -7.825 0.500 1.00 0.61 C ATOM 0 H ILE A 36 -1.317 -10.319 -1.421 1.00 0.70 H new ATOM 0 HA ILE A 36 -2.995 -12.379 -0.025 1.00 0.89 H new ATOM 0 HB ILE A 36 -3.974 -10.655 1.188 1.00 0.80 H new ATOM 0 HG12 ILE A 36 -3.395 -9.012 -1.287 1.00 0.76 H new ATOM 0 HG13 ILE A 36 -4.927 -9.280 -0.480 1.00 0.76 H new ATOM 0 HG21 ILE A 36 -2.224 -9.021 1.859 1.00 0.76 H new ATOM 0 HG22 ILE A 36 -1.545 -10.659 1.708 1.00 0.76 H new ATOM 0 HG23 ILE A 36 -1.268 -9.459 0.424 1.00 0.76 H new ATOM 0 HD11 ILE A 36 -4.096 -6.983 -0.041 1.00 0.61 H new ATOM 0 HD12 ILE A 36 -4.154 -7.924 1.469 1.00 0.61 H new ATOM 0 HD13 ILE A 36 -2.598 -7.652 0.649 1.00 0.61 H new ATOM 569 N PHE A 37 -3.428 -11.550 -2.912 1.00 1.03 N ATOM 570 CA PHE A 37 -4.360 -11.544 -4.075 1.00 1.21 C ATOM 571 C PHE A 37 -4.433 -12.951 -4.668 1.00 1.36 C ATOM 572 O PHE A 37 -4.451 -13.131 -5.869 1.00 1.58 O ATOM 573 CB PHE A 37 -3.855 -10.566 -5.137 1.00 1.17 C ATOM 574 CG PHE A 37 -3.895 -9.162 -4.585 1.00 1.02 C ATOM 575 CD1 PHE A 37 -5.120 -8.589 -4.222 1.00 0.94 C ATOM 576 CD2 PHE A 37 -2.709 -8.433 -4.433 1.00 0.97 C ATOM 577 CE1 PHE A 37 -5.159 -7.288 -3.707 1.00 0.80 C ATOM 578 CE2 PHE A 37 -2.748 -7.133 -3.917 1.00 0.83 C ATOM 579 CZ PHE A 37 -3.973 -6.560 -3.555 1.00 0.74 C ATOM 0 H PHE A 37 -2.443 -11.680 -3.142 1.00 1.03 H new ATOM 0 HA PHE A 37 -5.351 -11.233 -3.745 1.00 1.21 H new ATOM 0 HB2 PHE A 37 -2.838 -10.824 -5.431 1.00 1.17 H new ATOM 0 HB3 PHE A 37 -4.472 -10.634 -6.033 1.00 1.17 H new ATOM 0 HD1 PHE A 37 -6.035 -9.151 -4.339 1.00 0.94 H new ATOM 0 HD2 PHE A 37 -1.764 -8.874 -4.714 1.00 0.97 H new ATOM 0 HE1 PHE A 37 -6.104 -6.846 -3.427 1.00 0.80 H new ATOM 0 HE2 PHE A 37 -1.833 -6.572 -3.798 1.00 0.83 H new ATOM 0 HZ PHE A 37 -4.003 -5.556 -3.158 1.00 0.74 H new ATOM 589 N ALA A 38 -4.476 -13.951 -3.831 1.00 1.33 N ATOM 590 CA ALA A 38 -4.546 -15.349 -4.341 1.00 1.47 C ATOM 591 C ALA A 38 -5.898 -15.961 -3.969 1.00 1.53 C ATOM 592 O ALA A 38 -6.467 -16.732 -4.714 1.00 1.76 O ATOM 593 CB ALA A 38 -3.422 -16.175 -3.714 1.00 1.46 C ATOM 0 H ALA A 38 -4.466 -13.860 -2.815 1.00 1.33 H new ATOM 0 HA ALA A 38 -4.435 -15.347 -5.425 1.00 1.47 H new ATOM 0 HB1 ALA A 38 -3.472 -17.198 -4.086 1.00 1.46 H new ATOM 0 HB2 ALA A 38 -2.459 -15.739 -3.979 1.00 1.46 H new ATOM 0 HB3 ALA A 38 -3.533 -16.177 -2.630 1.00 1.46 H new ATOM 599 N ALA A 39 -6.415 -15.620 -2.821 1.00 1.32 N ATOM 600 CA ALA A 39 -7.730 -16.180 -2.399 1.00 1.36 C ATOM 601 C ALA A 39 -8.724 -15.037 -2.182 1.00 1.63 C ATOM 602 O ALA A 39 -9.355 -14.938 -1.149 1.00 1.71 O ATOM 603 CB ALA A 39 -7.558 -16.964 -1.097 1.00 1.18 C ATOM 0 H ALA A 39 -5.984 -14.978 -2.157 1.00 1.32 H new ATOM 0 HA ALA A 39 -8.107 -16.847 -3.175 1.00 1.36 H new ATOM 0 HB1 ALA A 39 -8.520 -17.373 -0.789 1.00 1.18 H new ATOM 0 HB2 ALA A 39 -6.851 -17.778 -1.253 1.00 1.18 H new ATOM 0 HB3 ALA A 39 -7.181 -16.300 -0.320 1.00 1.18 H new ATOM 609 N SER A 40 -8.866 -14.173 -3.149 1.00 2.14 N ATOM 610 CA SER A 40 -9.818 -13.036 -3.000 1.00 2.45 C ATOM 611 C SER A 40 -11.043 -13.288 -3.879 1.00 3.25 C ATOM 612 O SER A 40 -11.044 -12.988 -5.057 1.00 3.79 O ATOM 613 CB SER A 40 -9.133 -11.739 -3.436 1.00 2.38 C ATOM 614 OG SER A 40 -10.121 -10.787 -3.805 1.00 2.73 O ATOM 0 H SER A 40 -8.364 -14.205 -4.036 1.00 2.14 H new ATOM 0 HA SER A 40 -10.127 -12.949 -1.958 1.00 2.45 H new ATOM 0 HB2 SER A 40 -8.520 -11.348 -2.624 1.00 2.38 H new ATOM 0 HB3 SER A 40 -8.465 -11.931 -4.276 1.00 2.38 H new ATOM 0 HG SER A 40 -9.685 -9.955 -4.084 1.00 2.73 H new ATOM 620 N LYS A 41 -12.086 -13.841 -3.322 1.00 3.38 N ATOM 621 CA LYS A 41 -13.303 -14.117 -4.136 1.00 4.16 C ATOM 622 C LYS A 41 -14.516 -13.410 -3.526 1.00 4.19 C ATOM 623 O LYS A 41 -15.364 -12.901 -4.231 1.00 4.67 O ATOM 624 CB LYS A 41 -13.558 -15.625 -4.173 1.00 4.60 C ATOM 625 CG LYS A 41 -12.416 -16.316 -4.922 1.00 4.86 C ATOM 626 CD LYS A 41 -12.450 -17.818 -4.634 1.00 4.87 C ATOM 627 CE LYS A 41 -11.637 -18.561 -5.695 1.00 5.63 C ATOM 628 NZ LYS A 41 -12.383 -19.776 -6.132 1.00 5.73 N ATOM 0 H LYS A 41 -12.148 -14.113 -2.341 1.00 3.38 H new ATOM 0 HA LYS A 41 -13.147 -13.745 -5.148 1.00 4.16 H new ATOM 0 HB2 LYS A 41 -13.632 -16.017 -3.159 1.00 4.60 H new ATOM 0 HB3 LYS A 41 -14.508 -15.832 -4.665 1.00 4.60 H new ATOM 0 HG2 LYS A 41 -12.510 -16.138 -5.993 1.00 4.86 H new ATOM 0 HG3 LYS A 41 -11.458 -15.897 -4.612 1.00 4.86 H new ATOM 0 HD2 LYS A 41 -12.043 -18.018 -3.643 1.00 4.87 H new ATOM 0 HD3 LYS A 41 -13.480 -18.175 -4.634 1.00 4.87 H new ATOM 0 HE2 LYS A 41 -11.451 -17.909 -6.548 1.00 5.63 H new ATOM 0 HE3 LYS A 41 -10.665 -18.844 -5.292 1.00 5.63 H new ATOM 0 HZ1 LYS A 41 -11.831 -20.282 -6.854 1.00 5.73 H new ATOM 0 HZ2 LYS A 41 -12.539 -20.400 -5.315 1.00 5.73 H new ATOM 0 HZ3 LYS A 41 -13.301 -19.495 -6.533 1.00 5.73 H new ATOM 642 N ASP A 42 -14.613 -13.376 -2.224 1.00 3.77 N ATOM 643 CA ASP A 42 -15.782 -12.702 -1.590 1.00 3.84 C ATOM 644 C ASP A 42 -15.314 -11.853 -0.408 1.00 3.23 C ATOM 645 O ASP A 42 -15.796 -11.993 0.698 1.00 3.20 O ATOM 646 CB ASP A 42 -16.776 -13.756 -1.098 1.00 4.42 C ATOM 647 CG ASP A 42 -17.112 -14.715 -2.241 1.00 5.54 C ATOM 648 OD1 ASP A 42 -17.841 -14.310 -3.132 1.00 6.52 O ATOM 649 OD2 ASP A 42 -16.637 -15.837 -2.205 1.00 5.65 O ATOM 0 H ASP A 42 -13.938 -13.783 -1.576 1.00 3.77 H new ATOM 0 HA ASP A 42 -16.266 -12.059 -2.325 1.00 3.84 H new ATOM 0 HB2 ASP A 42 -16.351 -14.308 -0.259 1.00 4.42 H new ATOM 0 HB3 ASP A 42 -17.684 -13.274 -0.735 1.00 4.42 H new ATOM 654 N THR A 43 -14.386 -10.966 -0.634 1.00 2.84 N ATOM 655 CA THR A 43 -13.896 -10.100 0.475 1.00 2.28 C ATOM 656 C THR A 43 -14.374 -8.667 0.234 1.00 1.92 C ATOM 657 O THR A 43 -15.008 -8.378 -0.762 1.00 2.24 O ATOM 658 CB THR A 43 -12.367 -10.132 0.519 1.00 2.12 C ATOM 659 OG1 THR A 43 -11.884 -10.989 -0.507 1.00 2.08 O ATOM 660 CG2 THR A 43 -11.904 -10.650 1.882 1.00 1.92 C ATOM 0 H THR A 43 -13.945 -10.803 -1.539 1.00 2.84 H new ATOM 0 HA THR A 43 -14.286 -10.464 1.426 1.00 2.28 H new ATOM 0 HB THR A 43 -11.977 -9.126 0.366 1.00 2.12 H new ATOM 0 HG1 THR A 43 -10.905 -11.010 -0.482 1.00 2.08 H new ATOM 0 HG21 THR A 43 -10.815 -10.672 1.912 1.00 1.92 H new ATOM 0 HG22 THR A 43 -12.275 -9.991 2.667 1.00 1.92 H new ATOM 0 HG23 THR A 43 -12.292 -11.656 2.040 1.00 1.92 H new ATOM 668 N THR A 44 -14.082 -7.766 1.132 1.00 1.38 N ATOM 669 CA THR A 44 -14.531 -6.358 0.938 1.00 1.12 C ATOM 670 C THR A 44 -13.323 -5.424 0.955 1.00 0.78 C ATOM 671 O THR A 44 -12.206 -5.843 1.176 1.00 0.42 O ATOM 672 CB THR A 44 -15.502 -5.968 2.055 1.00 0.86 C ATOM 673 OG1 THR A 44 -14.875 -6.160 3.316 1.00 0.88 O ATOM 674 CG2 THR A 44 -16.758 -6.836 1.969 1.00 1.04 C ATOM 0 H THR A 44 -13.555 -7.942 1.987 1.00 1.38 H new ATOM 0 HA THR A 44 -15.037 -6.272 -0.024 1.00 1.12 H new ATOM 0 HB THR A 44 -15.780 -4.920 1.944 1.00 0.86 H new ATOM 0 HG1 THR A 44 -15.258 -6.948 3.755 1.00 0.88 H new ATOM 0 HG21 THR A 44 -17.448 -6.557 2.765 1.00 1.04 H new ATOM 0 HG22 THR A 44 -17.239 -6.685 1.002 1.00 1.04 H new ATOM 0 HG23 THR A 44 -16.483 -7.885 2.078 1.00 1.04 H new ATOM 682 N GLU A 45 -13.539 -4.160 0.718 1.00 0.95 N ATOM 683 CA GLU A 45 -12.400 -3.201 0.716 1.00 0.66 C ATOM 684 C GLU A 45 -11.959 -2.930 2.155 1.00 0.57 C ATOM 685 O GLU A 45 -10.807 -2.676 2.418 1.00 0.50 O ATOM 686 CB GLU A 45 -12.831 -1.887 0.057 1.00 0.71 C ATOM 687 CG GLU A 45 -13.798 -1.144 0.980 1.00 0.69 C ATOM 688 CD GLU A 45 -14.629 -0.155 0.160 1.00 0.85 C ATOM 689 OE1 GLU A 45 -15.665 -0.558 -0.344 1.00 0.90 O ATOM 690 OE2 GLU A 45 -14.217 0.988 0.051 1.00 1.82 O ATOM 0 H GLU A 45 -14.453 -3.751 0.526 1.00 0.95 H new ATOM 0 HA GLU A 45 -11.569 -3.629 0.155 1.00 0.66 H new ATOM 0 HB2 GLU A 45 -11.958 -1.267 -0.147 1.00 0.71 H new ATOM 0 HB3 GLU A 45 -13.309 -2.089 -0.901 1.00 0.71 H new ATOM 0 HG2 GLU A 45 -14.453 -1.854 1.485 1.00 0.69 H new ATOM 0 HG3 GLU A 45 -13.243 -0.615 1.755 1.00 0.69 H new ATOM 697 N LYS A 46 -12.864 -2.980 3.090 1.00 0.66 N ATOM 698 CA LYS A 46 -12.476 -2.721 4.505 1.00 0.72 C ATOM 699 C LYS A 46 -11.524 -3.821 4.987 1.00 0.76 C ATOM 700 O LYS A 46 -10.487 -3.552 5.562 1.00 0.74 O ATOM 701 CB LYS A 46 -13.733 -2.697 5.379 1.00 0.88 C ATOM 702 CG LYS A 46 -13.473 -3.457 6.684 1.00 0.54 C ATOM 703 CD LYS A 46 -14.627 -3.212 7.657 1.00 0.76 C ATOM 704 CE LYS A 46 -14.644 -4.313 8.718 1.00 1.60 C ATOM 705 NZ LYS A 46 -15.396 -5.489 8.198 1.00 2.25 N ATOM 0 H LYS A 46 -13.851 -3.188 2.938 1.00 0.66 H new ATOM 0 HA LYS A 46 -11.970 -1.758 4.576 1.00 0.72 H new ATOM 0 HB2 LYS A 46 -14.015 -1.667 5.597 1.00 0.88 H new ATOM 0 HB3 LYS A 46 -14.568 -3.150 4.844 1.00 0.88 H new ATOM 0 HG2 LYS A 46 -13.374 -4.524 6.482 1.00 0.54 H new ATOM 0 HG3 LYS A 46 -12.533 -3.128 7.128 1.00 0.54 H new ATOM 0 HD2 LYS A 46 -14.515 -2.237 8.132 1.00 0.76 H new ATOM 0 HD3 LYS A 46 -15.574 -3.198 7.118 1.00 0.76 H new ATOM 0 HE2 LYS A 46 -13.625 -4.603 8.973 1.00 1.60 H new ATOM 0 HE3 LYS A 46 -15.109 -3.945 9.632 1.00 1.60 H new ATOM 0 HZ1 LYS A 46 -15.409 -6.239 8.918 1.00 2.25 H new ATOM 0 HZ2 LYS A 46 -16.372 -5.206 7.975 1.00 2.25 H new ATOM 0 HZ3 LYS A 46 -14.933 -5.844 7.337 1.00 2.25 H new ATOM 719 N GLU A 47 -11.868 -5.057 4.760 1.00 0.81 N ATOM 720 CA GLU A 47 -10.988 -6.174 5.210 1.00 0.86 C ATOM 721 C GLU A 47 -9.676 -6.154 4.420 1.00 0.79 C ATOM 722 O GLU A 47 -8.601 -6.095 4.985 1.00 0.77 O ATOM 723 CB GLU A 47 -11.701 -7.507 4.973 1.00 0.94 C ATOM 724 CG GLU A 47 -12.672 -7.778 6.124 1.00 1.48 C ATOM 725 CD GLU A 47 -13.992 -8.309 5.562 1.00 2.76 C ATOM 726 OE1 GLU A 47 -14.058 -9.494 5.277 1.00 3.07 O ATOM 727 OE2 GLU A 47 -14.914 -7.522 5.425 1.00 3.66 O ATOM 0 H GLU A 47 -12.722 -5.344 4.282 1.00 0.81 H new ATOM 0 HA GLU A 47 -10.770 -6.055 6.271 1.00 0.86 H new ATOM 0 HB2 GLU A 47 -12.241 -7.480 4.026 1.00 0.94 H new ATOM 0 HB3 GLU A 47 -10.972 -8.314 4.901 1.00 0.94 H new ATOM 0 HG2 GLU A 47 -12.241 -8.502 6.815 1.00 1.48 H new ATOM 0 HG3 GLU A 47 -12.847 -6.863 6.690 1.00 1.48 H new ATOM 734 N THR A 48 -9.756 -6.218 3.120 1.00 0.79 N ATOM 735 CA THR A 48 -8.514 -6.219 2.289 1.00 0.73 C ATOM 736 C THR A 48 -7.666 -4.971 2.577 1.00 0.72 C ATOM 737 O THR A 48 -6.480 -4.947 2.311 1.00 0.72 O ATOM 738 CB THR A 48 -8.901 -6.230 0.809 1.00 0.70 C ATOM 739 OG1 THR A 48 -10.066 -7.024 0.629 1.00 1.00 O ATOM 740 CG2 THR A 48 -7.751 -6.810 -0.017 1.00 0.93 C ATOM 0 H THR A 48 -10.628 -6.270 2.594 1.00 0.79 H new ATOM 0 HA THR A 48 -7.929 -7.105 2.535 1.00 0.73 H new ATOM 0 HB THR A 48 -9.103 -5.211 0.479 1.00 0.70 H new ATOM 0 HG1 THR A 48 -10.837 -6.441 0.468 1.00 1.00 H new ATOM 0 HG21 THR A 48 -8.028 -6.817 -1.071 1.00 0.93 H new ATOM 0 HG22 THR A 48 -6.860 -6.198 0.120 1.00 0.93 H new ATOM 0 HG23 THR A 48 -7.545 -7.829 0.311 1.00 0.93 H new ATOM 748 N PHE A 49 -8.258 -3.931 3.099 1.00 0.72 N ATOM 749 CA PHE A 49 -7.476 -2.690 3.374 1.00 0.72 C ATOM 750 C PHE A 49 -6.644 -2.851 4.647 1.00 0.68 C ATOM 751 O PHE A 49 -5.498 -2.460 4.692 1.00 0.70 O ATOM 752 CB PHE A 49 -8.436 -1.512 3.541 1.00 0.76 C ATOM 753 CG PHE A 49 -8.642 -0.840 2.203 1.00 0.44 C ATOM 754 CD1 PHE A 49 -8.739 -1.613 1.039 1.00 1.16 C ATOM 755 CD2 PHE A 49 -8.748 0.555 2.128 1.00 1.43 C ATOM 756 CE1 PHE A 49 -8.941 -0.993 -0.200 1.00 1.17 C ATOM 757 CE2 PHE A 49 -8.949 1.173 0.888 1.00 1.45 C ATOM 758 CZ PHE A 49 -9.046 0.399 -0.276 1.00 0.51 C ATOM 0 H PHE A 49 -9.246 -3.886 3.347 1.00 0.72 H new ATOM 0 HA PHE A 49 -6.804 -2.506 2.536 1.00 0.72 H new ATOM 0 HB2 PHE A 49 -9.390 -1.859 3.937 1.00 0.76 H new ATOM 0 HB3 PHE A 49 -8.033 -0.799 4.260 1.00 0.76 H new ATOM 0 HD1 PHE A 49 -8.658 -2.688 1.097 1.00 1.16 H new ATOM 0 HD2 PHE A 49 -8.675 1.152 3.025 1.00 1.43 H new ATOM 0 HE1 PHE A 49 -9.016 -1.590 -1.097 1.00 1.17 H new ATOM 0 HE2 PHE A 49 -9.029 2.248 0.828 1.00 1.45 H new ATOM 0 HZ PHE A 49 -9.202 0.878 -1.232 1.00 0.51 H new ATOM 768 N CYS A 50 -7.204 -3.409 5.686 1.00 0.65 N ATOM 769 CA CYS A 50 -6.420 -3.573 6.949 1.00 0.60 C ATOM 770 C CYS A 50 -5.322 -4.618 6.741 1.00 0.67 C ATOM 771 O CYS A 50 -4.245 -4.515 7.294 1.00 0.69 O ATOM 772 CB CYS A 50 -7.350 -4.025 8.080 1.00 0.55 C ATOM 773 SG CYS A 50 -6.800 -5.632 8.712 1.00 1.09 S ATOM 0 H CYS A 50 -8.162 -3.757 5.718 1.00 0.65 H new ATOM 0 HA CYS A 50 -5.966 -2.619 7.215 1.00 0.60 H new ATOM 0 HB2 CYS A 50 -7.349 -3.287 8.882 1.00 0.55 H new ATOM 0 HB3 CYS A 50 -8.375 -4.097 7.715 1.00 0.55 H new ATOM 778 N ARG A 51 -5.578 -5.621 5.947 1.00 0.70 N ATOM 779 CA ARG A 51 -4.539 -6.663 5.706 1.00 0.76 C ATOM 780 C ARG A 51 -3.354 -6.027 4.978 1.00 0.68 C ATOM 781 O ARG A 51 -2.233 -6.040 5.453 1.00 0.68 O ATOM 782 CB ARG A 51 -5.128 -7.782 4.842 1.00 0.81 C ATOM 783 CG ARG A 51 -5.624 -8.919 5.739 1.00 0.87 C ATOM 784 CD ARG A 51 -6.930 -9.483 5.174 1.00 1.20 C ATOM 785 NE ARG A 51 -6.728 -9.872 3.748 1.00 2.31 N ATOM 786 CZ ARG A 51 -7.600 -10.630 3.122 1.00 2.71 C ATOM 787 NH1 ARG A 51 -8.681 -11.064 3.724 1.00 2.08 N ATOM 788 NH2 ARG A 51 -7.386 -10.957 1.877 1.00 4.01 N ATOM 0 H ARG A 51 -6.460 -5.764 5.455 1.00 0.70 H new ATOM 0 HA ARG A 51 -4.207 -7.079 6.657 1.00 0.76 H new ATOM 0 HB2 ARG A 51 -5.950 -7.395 4.240 1.00 0.81 H new ATOM 0 HB3 ARG A 51 -4.374 -8.155 4.149 1.00 0.81 H new ATOM 0 HG2 ARG A 51 -4.871 -9.705 5.797 1.00 0.87 H new ATOM 0 HG3 ARG A 51 -5.782 -8.553 6.754 1.00 0.87 H new ATOM 0 HD2 ARG A 51 -7.247 -10.348 5.757 1.00 1.20 H new ATOM 0 HD3 ARG A 51 -7.723 -8.739 5.250 1.00 1.20 H new ATOM 0 HE ARG A 51 -5.900 -9.544 3.251 1.00 2.31 H new ATOM 0 HH11 ARG A 51 -8.858 -10.814 4.697 1.00 2.08 H new ATOM 0 HH12 ARG A 51 -9.345 -11.651 3.219 1.00 2.08 H new ATOM 0 HH21 ARG A 51 -6.548 -10.625 1.399 1.00 4.01 H new ATOM 0 HH22 ARG A 51 -8.056 -11.545 1.382 1.00 4.01 H new ATOM 802 N ALA A 52 -3.598 -5.462 3.827 1.00 0.62 N ATOM 803 CA ALA A 52 -2.495 -4.815 3.065 1.00 0.54 C ATOM 804 C ALA A 52 -1.922 -3.642 3.867 1.00 0.55 C ATOM 805 O ALA A 52 -0.811 -3.213 3.640 1.00 0.52 O ATOM 806 CB ALA A 52 -3.039 -4.295 1.736 1.00 0.49 C ATOM 0 H ALA A 52 -4.515 -5.421 3.382 1.00 0.62 H new ATOM 0 HA ALA A 52 -1.707 -5.546 2.885 1.00 0.54 H new ATOM 0 HB1 ALA A 52 -2.235 -3.820 1.174 1.00 0.49 H new ATOM 0 HB2 ALA A 52 -3.443 -5.126 1.158 1.00 0.49 H new ATOM 0 HB3 ALA A 52 -3.828 -3.567 1.926 1.00 0.49 H new ATOM 812 N ALA A 53 -2.671 -3.118 4.803 1.00 0.61 N ATOM 813 CA ALA A 53 -2.162 -1.977 5.613 1.00 0.63 C ATOM 814 C ALA A 53 -1.099 -2.490 6.579 1.00 0.67 C ATOM 815 O ALA A 53 -0.123 -1.825 6.851 1.00 0.67 O ATOM 816 CB ALA A 53 -3.311 -1.355 6.403 1.00 0.69 C ATOM 0 H ALA A 53 -3.612 -3.432 5.039 1.00 0.61 H new ATOM 0 HA ALA A 53 -1.731 -1.223 4.955 1.00 0.63 H new ATOM 0 HB1 ALA A 53 -2.936 -0.520 6.995 1.00 0.69 H new ATOM 0 HB2 ALA A 53 -4.075 -0.996 5.713 1.00 0.69 H new ATOM 0 HB3 ALA A 53 -3.744 -2.104 7.066 1.00 0.69 H new ATOM 822 N THR A 54 -1.277 -3.678 7.092 1.00 0.71 N ATOM 823 CA THR A 54 -0.266 -4.237 8.027 1.00 0.76 C ATOM 824 C THR A 54 1.020 -4.486 7.246 1.00 0.70 C ATOM 825 O THR A 54 2.100 -4.108 7.657 1.00 0.72 O ATOM 826 CB THR A 54 -0.772 -5.560 8.606 1.00 0.80 C ATOM 827 OG1 THR A 54 -1.676 -5.298 9.669 1.00 0.96 O ATOM 828 CG2 THR A 54 0.414 -6.373 9.129 1.00 0.75 C ATOM 0 H THR A 54 -2.077 -4.282 6.903 1.00 0.71 H new ATOM 0 HA THR A 54 -0.086 -3.539 8.844 1.00 0.76 H new ATOM 0 HB THR A 54 -1.285 -6.126 7.828 1.00 0.80 H new ATOM 0 HG1 THR A 54 -1.421 -5.828 10.453 1.00 0.96 H new ATOM 0 HG21 THR A 54 0.055 -7.316 9.542 1.00 0.75 H new ATOM 0 HG22 THR A 54 1.106 -6.575 8.311 1.00 0.75 H new ATOM 0 HG23 THR A 54 0.927 -5.808 9.907 1.00 0.75 H new ATOM 836 N VAL A 55 0.904 -5.114 6.108 1.00 0.65 N ATOM 837 CA VAL A 55 2.108 -5.384 5.279 1.00 0.60 C ATOM 838 C VAL A 55 2.735 -4.053 4.849 1.00 0.60 C ATOM 839 O VAL A 55 3.925 -3.961 4.615 1.00 0.60 O ATOM 840 CB VAL A 55 1.696 -6.189 4.044 1.00 0.57 C ATOM 841 CG1 VAL A 55 2.940 -6.572 3.242 1.00 0.59 C ATOM 842 CG2 VAL A 55 0.973 -7.462 4.491 1.00 0.66 C ATOM 0 H VAL A 55 0.024 -5.452 5.717 1.00 0.65 H new ATOM 0 HA VAL A 55 2.837 -5.954 5.855 1.00 0.60 H new ATOM 0 HB VAL A 55 1.034 -5.586 3.422 1.00 0.57 H new ATOM 0 HG11 VAL A 55 2.644 -7.145 2.363 1.00 0.59 H new ATOM 0 HG12 VAL A 55 3.462 -5.669 2.927 1.00 0.59 H new ATOM 0 HG13 VAL A 55 3.602 -7.176 3.863 1.00 0.59 H new ATOM 0 HG21 VAL A 55 0.677 -8.039 3.615 1.00 0.66 H new ATOM 0 HG22 VAL A 55 1.640 -8.060 5.112 1.00 0.66 H new ATOM 0 HG23 VAL A 55 0.086 -7.194 5.065 1.00 0.66 H new ATOM 852 N LEU A 56 1.944 -3.016 4.751 1.00 0.58 N ATOM 853 CA LEU A 56 2.493 -1.693 4.344 1.00 0.57 C ATOM 854 C LEU A 56 3.226 -1.057 5.528 1.00 0.63 C ATOM 855 O LEU A 56 4.151 -0.288 5.354 1.00 0.65 O ATOM 856 CB LEU A 56 1.344 -0.779 3.910 1.00 0.58 C ATOM 857 CG LEU A 56 1.688 -0.116 2.575 1.00 0.25 C ATOM 858 CD1 LEU A 56 0.832 -0.730 1.465 1.00 0.64 C ATOM 859 CD2 LEU A 56 1.400 1.385 2.666 1.00 0.80 C ATOM 0 H LEU A 56 0.941 -3.031 4.936 1.00 0.58 H new ATOM 0 HA LEU A 56 3.188 -1.828 3.515 1.00 0.57 H new ATOM 0 HB2 LEU A 56 0.424 -1.356 3.814 1.00 0.58 H new ATOM 0 HB3 LEU A 56 1.165 -0.018 4.670 1.00 0.58 H new ATOM 0 HG LEU A 56 2.743 -0.274 2.351 1.00 0.25 H new ATOM 0 HD11 LEU A 56 1.077 -0.258 0.514 1.00 0.64 H new ATOM 0 HD12 LEU A 56 1.031 -1.800 1.401 1.00 0.64 H new ATOM 0 HD13 LEU A 56 -0.223 -0.570 1.689 1.00 0.64 H new ATOM 0 HD21 LEU A 56 1.644 1.861 1.716 1.00 0.80 H new ATOM 0 HD22 LEU A 56 0.344 1.540 2.889 1.00 0.80 H new ATOM 0 HD23 LEU A 56 2.006 1.824 3.458 1.00 0.80 H new ATOM 871 N ARG A 57 2.825 -1.371 6.731 1.00 0.66 N ATOM 872 CA ARG A 57 3.506 -0.781 7.916 1.00 0.73 C ATOM 873 C ARG A 57 4.898 -1.389 8.043 1.00 0.79 C ATOM 874 O ARG A 57 5.847 -0.722 8.400 1.00 0.87 O ATOM 875 CB ARG A 57 2.699 -1.079 9.183 1.00 0.85 C ATOM 876 CG ARG A 57 3.203 -0.193 10.324 1.00 0.80 C ATOM 877 CD ARG A 57 2.275 -0.334 11.531 1.00 1.11 C ATOM 878 NE ARG A 57 3.028 -0.938 12.668 1.00 0.98 N ATOM 879 CZ ARG A 57 2.555 -0.896 13.892 1.00 1.14 C ATOM 880 NH1 ARG A 57 1.403 -0.327 14.158 1.00 1.41 N ATOM 881 NH2 ARG A 57 3.245 -1.430 14.863 1.00 2.02 N ATOM 0 H ARG A 57 2.058 -2.009 6.942 1.00 0.66 H new ATOM 0 HA ARG A 57 3.584 0.299 7.791 1.00 0.73 H new ATOM 0 HB2 ARG A 57 1.640 -0.895 9.005 1.00 0.85 H new ATOM 0 HB3 ARG A 57 2.799 -2.130 9.453 1.00 0.85 H new ATOM 0 HG2 ARG A 57 4.219 -0.478 10.598 1.00 0.80 H new ATOM 0 HG3 ARG A 57 3.240 0.847 10.001 1.00 0.80 H new ATOM 0 HD2 ARG A 57 1.883 0.642 11.818 1.00 1.11 H new ATOM 0 HD3 ARG A 57 1.419 -0.959 11.275 1.00 1.11 H new ATOM 0 HE ARG A 57 3.925 -1.391 12.492 1.00 0.98 H new ATOM 0 HH11 ARG A 57 0.856 0.094 13.407 1.00 1.41 H new ATOM 0 HH12 ARG A 57 1.054 -0.306 15.116 1.00 1.41 H new ATOM 0 HH21 ARG A 57 4.142 -1.874 14.667 1.00 2.02 H new ATOM 0 HH22 ARG A 57 2.887 -1.403 15.818 1.00 2.02 H new ATOM 895 N GLN A 58 5.030 -2.650 7.744 1.00 0.80 N ATOM 896 CA GLN A 58 6.367 -3.296 7.835 1.00 0.89 C ATOM 897 C GLN A 58 7.225 -2.835 6.653 1.00 0.83 C ATOM 898 O GLN A 58 8.433 -2.756 6.742 1.00 0.90 O ATOM 899 CB GLN A 58 6.201 -4.818 7.800 1.00 1.00 C ATOM 900 CG GLN A 58 5.123 -5.233 8.807 1.00 2.40 C ATOM 901 CD GLN A 58 5.701 -6.265 9.779 1.00 2.56 C ATOM 902 OE1 GLN A 58 6.226 -7.279 9.365 1.00 2.17 O ATOM 903 NE2 GLN A 58 5.622 -6.049 11.064 1.00 3.58 N ATOM 0 H GLN A 58 4.271 -3.260 7.441 1.00 0.80 H new ATOM 0 HA GLN A 58 6.854 -3.014 8.768 1.00 0.89 H new ATOM 0 HB2 GLN A 58 5.922 -5.142 6.797 1.00 1.00 H new ATOM 0 HB3 GLN A 58 7.146 -5.304 8.041 1.00 1.00 H new ATOM 0 HG2 GLN A 58 4.768 -4.361 9.355 1.00 2.40 H new ATOM 0 HG3 GLN A 58 4.264 -5.652 8.284 1.00 2.40 H new ATOM 0 HE21 GLN A 58 5.181 -5.197 11.412 1.00 3.58 H new ATOM 0 HE22 GLN A 58 6.001 -6.732 11.720 1.00 3.58 H new ATOM 912 N PHE A 59 6.606 -2.521 5.545 1.00 0.74 N ATOM 913 CA PHE A 59 7.380 -2.056 4.358 1.00 0.73 C ATOM 914 C PHE A 59 7.736 -0.569 4.516 1.00 0.79 C ATOM 915 O PHE A 59 8.618 -0.063 3.850 1.00 0.89 O ATOM 916 CB PHE A 59 6.527 -2.257 3.098 1.00 0.93 C ATOM 917 CG PHE A 59 6.828 -1.180 2.078 1.00 0.64 C ATOM 918 CD1 PHE A 59 8.057 -1.173 1.407 1.00 0.81 C ATOM 919 CD2 PHE A 59 5.873 -0.192 1.797 1.00 1.58 C ATOM 920 CE1 PHE A 59 8.332 -0.181 0.458 1.00 1.22 C ATOM 921 CE2 PHE A 59 6.150 0.799 0.849 1.00 1.81 C ATOM 922 CZ PHE A 59 7.379 0.804 0.180 1.00 1.43 C ATOM 0 H PHE A 59 5.596 -2.567 5.412 1.00 0.74 H new ATOM 0 HA PHE A 59 8.303 -2.630 4.273 1.00 0.73 H new ATOM 0 HB2 PHE A 59 6.727 -3.239 2.669 1.00 0.93 H new ATOM 0 HB3 PHE A 59 5.469 -2.233 3.360 1.00 0.93 H new ATOM 0 HD1 PHE A 59 8.793 -1.933 1.622 1.00 0.81 H new ATOM 0 HD2 PHE A 59 4.924 -0.196 2.312 1.00 1.58 H new ATOM 0 HE1 PHE A 59 9.280 -0.176 -0.059 1.00 1.22 H new ATOM 0 HE2 PHE A 59 5.415 1.560 0.633 1.00 1.81 H new ATOM 0 HZ PHE A 59 7.592 1.569 -0.552 1.00 1.43 H new ATOM 932 N TYR A 60 7.056 0.139 5.382 1.00 0.93 N ATOM 933 CA TYR A 60 7.355 1.588 5.565 1.00 1.07 C ATOM 934 C TYR A 60 8.402 1.794 6.668 1.00 0.74 C ATOM 935 O TYR A 60 9.199 2.707 6.609 1.00 0.71 O ATOM 936 CB TYR A 60 6.065 2.318 5.950 1.00 1.42 C ATOM 937 CG TYR A 60 6.314 3.213 7.143 1.00 0.77 C ATOM 938 CD1 TYR A 60 7.018 4.415 6.987 1.00 0.67 C ATOM 939 CD2 TYR A 60 5.839 2.839 8.405 1.00 0.89 C ATOM 940 CE1 TYR A 60 7.244 5.240 8.096 1.00 0.65 C ATOM 941 CE2 TYR A 60 6.065 3.665 9.513 1.00 0.89 C ATOM 942 CZ TYR A 60 6.768 4.866 9.357 1.00 0.76 C ATOM 943 OH TYR A 60 6.993 5.680 10.449 1.00 1.35 O ATOM 0 H TYR A 60 6.306 -0.226 5.970 1.00 0.93 H new ATOM 0 HA TYR A 60 7.752 1.986 4.631 1.00 1.07 H new ATOM 0 HB2 TYR A 60 5.708 2.911 5.108 1.00 1.42 H new ATOM 0 HB3 TYR A 60 5.284 1.595 6.184 1.00 1.42 H new ATOM 0 HD1 TYR A 60 7.385 4.704 6.014 1.00 0.67 H new ATOM 0 HD2 TYR A 60 5.297 1.912 8.525 1.00 0.89 H new ATOM 0 HE1 TYR A 60 7.787 6.166 7.977 1.00 0.65 H new ATOM 0 HE2 TYR A 60 5.698 3.376 10.487 1.00 0.89 H new ATOM 0 HH TYR A 60 6.595 5.274 11.247 1.00 1.35 H new ATOM 953 N SER A 61 8.392 0.978 7.686 1.00 0.72 N ATOM 954 CA SER A 61 9.372 1.164 8.797 1.00 0.56 C ATOM 955 C SER A 61 10.654 0.364 8.540 1.00 0.55 C ATOM 956 O SER A 61 11.738 0.797 8.876 1.00 0.42 O ATOM 957 CB SER A 61 8.741 0.697 10.109 1.00 0.92 C ATOM 958 OG SER A 61 9.723 0.037 10.896 1.00 0.87 O ATOM 0 H SER A 61 7.751 0.193 7.798 1.00 0.72 H new ATOM 0 HA SER A 61 9.630 2.221 8.857 1.00 0.56 H new ATOM 0 HB2 SER A 61 8.335 1.549 10.654 1.00 0.92 H new ATOM 0 HB3 SER A 61 7.909 0.023 9.906 1.00 0.92 H new ATOM 0 HG SER A 61 9.321 -0.262 11.738 1.00 0.87 H new ATOM 964 N HIS A 62 10.545 -0.808 7.976 1.00 0.75 N ATOM 965 CA HIS A 62 11.768 -1.631 7.735 1.00 0.84 C ATOM 966 C HIS A 62 12.437 -1.243 6.413 1.00 0.81 C ATOM 967 O HIS A 62 13.628 -1.009 6.361 1.00 0.80 O ATOM 968 CB HIS A 62 11.385 -3.112 7.691 1.00 1.06 C ATOM 969 CG HIS A 62 10.918 -3.550 9.052 1.00 1.90 C ATOM 970 ND1 HIS A 62 9.860 -4.429 9.224 1.00 3.34 N ATOM 971 CD2 HIS A 62 11.359 -3.242 10.316 1.00 1.70 C ATOM 972 CE1 HIS A 62 9.701 -4.618 10.546 1.00 3.75 C ATOM 973 NE2 HIS A 62 10.589 -3.917 11.257 1.00 2.77 N ATOM 0 H HIS A 62 9.668 -1.231 7.673 1.00 0.75 H new ATOM 0 HA HIS A 62 12.471 -1.449 8.548 1.00 0.84 H new ATOM 0 HB2 HIS A 62 10.597 -3.273 6.955 1.00 1.06 H new ATOM 0 HB3 HIS A 62 12.240 -3.711 7.378 1.00 1.06 H new ATOM 0 HD2 HIS A 62 12.179 -2.577 10.544 1.00 1.70 H new ATOM 0 HE1 HIS A 62 8.947 -5.258 10.980 1.00 3.75 H new ATOM 0 HE2 HIS A 62 10.682 -3.884 12.272 1.00 2.77 H new ATOM 981 N HIS A 63 11.694 -1.192 5.340 1.00 0.80 N ATOM 982 CA HIS A 63 12.312 -0.840 4.025 1.00 0.77 C ATOM 983 C HIS A 63 12.255 0.674 3.777 1.00 0.96 C ATOM 984 O HIS A 63 12.128 1.118 2.653 1.00 1.43 O ATOM 985 CB HIS A 63 11.563 -1.568 2.908 1.00 0.78 C ATOM 986 CG HIS A 63 11.515 -3.038 3.222 1.00 1.17 C ATOM 987 ND1 HIS A 63 12.501 -3.666 3.968 1.00 1.90 N ATOM 988 CD2 HIS A 63 10.606 -4.017 2.904 1.00 1.38 C ATOM 989 CE1 HIS A 63 12.166 -4.965 4.072 1.00 2.30 C ATOM 990 NE2 HIS A 63 11.019 -5.233 3.442 1.00 1.88 N ATOM 0 H HIS A 63 10.691 -1.377 5.315 1.00 0.80 H new ATOM 0 HA HIS A 63 13.358 -1.146 4.039 1.00 0.77 H new ATOM 0 HB2 HIS A 63 10.552 -1.171 2.813 1.00 0.78 H new ATOM 0 HB3 HIS A 63 12.061 -1.404 1.953 1.00 0.78 H new ATOM 0 HD2 HIS A 63 9.707 -3.867 2.325 1.00 1.38 H new ATOM 0 HE1 HIS A 63 12.753 -5.701 4.601 1.00 2.30 H new ATOM 0 HE2 HIS A 63 10.547 -6.134 3.370 1.00 1.88 H new ATOM 998 N GLU A 64 12.356 1.471 4.806 1.00 0.61 N ATOM 999 CA GLU A 64 12.316 2.946 4.606 1.00 0.79 C ATOM 1000 C GLU A 64 13.741 3.475 4.411 1.00 0.89 C ATOM 1001 O GLU A 64 13.956 4.483 3.766 1.00 1.18 O ATOM 1002 CB GLU A 64 11.665 3.605 5.827 1.00 0.61 C ATOM 1003 CG GLU A 64 12.615 4.629 6.454 1.00 0.38 C ATOM 1004 CD GLU A 64 11.930 5.282 7.655 1.00 0.66 C ATOM 1005 OE1 GLU A 64 11.071 6.122 7.438 1.00 1.24 O ATOM 1006 OE2 GLU A 64 12.273 4.932 8.772 1.00 1.44 O ATOM 0 H GLU A 64 12.464 1.165 5.773 1.00 0.61 H new ATOM 0 HA GLU A 64 11.729 3.184 3.719 1.00 0.79 H new ATOM 0 HB2 GLU A 64 10.737 4.094 5.532 1.00 0.61 H new ATOM 0 HB3 GLU A 64 11.404 2.844 6.563 1.00 0.61 H new ATOM 0 HG2 GLU A 64 13.538 4.142 6.768 1.00 0.38 H new ATOM 0 HG3 GLU A 64 12.888 5.387 5.720 1.00 0.38 H new ATOM 1013 N LYS A 65 14.719 2.807 4.965 1.00 0.77 N ATOM 1014 CA LYS A 65 16.124 3.277 4.810 1.00 1.11 C ATOM 1015 C LYS A 65 17.011 2.118 4.349 1.00 1.18 C ATOM 1016 O LYS A 65 18.088 1.904 4.870 1.00 1.21 O ATOM 1017 CB LYS A 65 16.637 3.803 6.154 1.00 1.15 C ATOM 1018 CG LYS A 65 17.925 4.601 5.934 1.00 1.62 C ATOM 1019 CD LYS A 65 17.575 6.046 5.574 1.00 3.00 C ATOM 1020 CE LYS A 65 18.802 6.937 5.782 1.00 3.40 C ATOM 1021 NZ LYS A 65 19.626 6.947 4.539 1.00 4.74 N ATOM 0 H LYS A 65 14.604 1.957 5.517 1.00 0.77 H new ATOM 0 HA LYS A 65 16.155 4.074 4.067 1.00 1.11 H new ATOM 0 HB2 LYS A 65 15.881 4.434 6.622 1.00 1.15 H new ATOM 0 HB3 LYS A 65 16.824 2.972 6.834 1.00 1.15 H new ATOM 0 HG2 LYS A 65 18.538 4.578 6.835 1.00 1.62 H new ATOM 0 HG3 LYS A 65 18.514 4.149 5.136 1.00 1.62 H new ATOM 0 HD2 LYS A 65 17.243 6.103 4.537 1.00 3.00 H new ATOM 0 HD3 LYS A 65 16.749 6.396 6.193 1.00 3.00 H new ATOM 0 HE2 LYS A 65 18.490 7.951 6.032 1.00 3.40 H new ATOM 0 HE3 LYS A 65 19.394 6.569 6.620 1.00 3.40 H new ATOM 0 HZ1 LYS A 65 20.460 7.552 4.680 1.00 4.74 H new ATOM 0 HZ2 LYS A 65 19.935 5.978 4.319 1.00 4.74 H new ATOM 0 HZ3 LYS A 65 19.059 7.317 3.750 1.00 4.74 H new ATOM 1035 N ASP A 66 16.573 1.368 3.374 1.00 1.24 N ATOM 1036 CA ASP A 66 17.402 0.230 2.885 1.00 1.31 C ATOM 1037 C ASP A 66 18.487 0.759 1.945 1.00 0.98 C ATOM 1038 O ASP A 66 18.218 1.517 1.035 1.00 1.02 O ATOM 1039 CB ASP A 66 16.515 -0.765 2.132 1.00 1.68 C ATOM 1040 CG ASP A 66 17.251 -2.099 1.986 1.00 2.27 C ATOM 1041 OD1 ASP A 66 18.294 -2.247 2.601 1.00 2.26 O ATOM 1042 OD2 ASP A 66 16.758 -2.949 1.263 1.00 3.01 O ATOM 0 H ASP A 66 15.680 1.494 2.897 1.00 1.24 H new ATOM 0 HA ASP A 66 17.867 -0.271 3.734 1.00 1.31 H new ATOM 0 HB2 ASP A 66 15.578 -0.912 2.669 1.00 1.68 H new ATOM 0 HB3 ASP A 66 16.260 -0.369 1.149 1.00 1.68 H new ATOM 1047 N THR A 67 19.712 0.365 2.158 1.00 0.71 N ATOM 1048 CA THR A 67 20.813 0.846 1.276 1.00 0.50 C ATOM 1049 C THR A 67 20.575 0.359 -0.156 1.00 0.75 C ATOM 1050 O THR A 67 21.014 0.971 -1.109 1.00 0.93 O ATOM 1051 CB THR A 67 22.150 0.301 1.785 1.00 0.35 C ATOM 1052 OG1 THR A 67 22.028 -1.092 2.036 1.00 1.21 O ATOM 1053 CG2 THR A 67 22.539 1.021 3.076 1.00 1.44 C ATOM 0 H THR A 67 19.998 -0.269 2.904 1.00 0.71 H new ATOM 0 HA THR A 67 20.836 1.936 1.288 1.00 0.50 H new ATOM 0 HB THR A 67 22.920 0.469 1.032 1.00 0.35 H new ATOM 0 HG1 THR A 67 22.884 -1.442 2.360 1.00 1.21 H new ATOM 0 HG21 THR A 67 23.491 0.632 3.437 1.00 1.44 H new ATOM 0 HG22 THR A 67 22.634 2.089 2.882 1.00 1.44 H new ATOM 0 HG23 THR A 67 21.770 0.856 3.831 1.00 1.44 H new ATOM 1061 N ARG A 68 19.886 -0.738 -0.317 1.00 0.88 N ATOM 1062 CA ARG A 68 19.626 -1.257 -1.689 1.00 1.18 C ATOM 1063 C ARG A 68 18.642 -0.332 -2.411 1.00 1.03 C ATOM 1064 O ARG A 68 18.973 0.292 -3.399 1.00 1.40 O ATOM 1065 CB ARG A 68 19.029 -2.663 -1.597 1.00 1.42 C ATOM 1066 CG ARG A 68 20.156 -3.691 -1.486 1.00 1.77 C ATOM 1067 CD ARG A 68 19.563 -5.101 -1.517 1.00 1.58 C ATOM 1068 NE ARG A 68 20.442 -5.998 -2.322 1.00 2.85 N ATOM 1069 CZ ARG A 68 20.309 -7.303 -2.267 1.00 2.94 C ATOM 1070 NH1 ARG A 68 19.398 -7.863 -1.507 1.00 2.21 N ATOM 1071 NH2 ARG A 68 21.099 -8.059 -2.981 1.00 4.08 N ATOM 0 H ARG A 68 19.493 -1.296 0.441 1.00 0.88 H new ATOM 0 HA ARG A 68 20.563 -1.294 -2.245 1.00 1.18 H new ATOM 0 HB2 ARG A 68 18.371 -2.734 -0.731 1.00 1.42 H new ATOM 0 HB3 ARG A 68 18.420 -2.869 -2.477 1.00 1.42 H new ATOM 0 HG2 ARG A 68 20.862 -3.563 -2.307 1.00 1.77 H new ATOM 0 HG3 ARG A 68 20.712 -3.539 -0.561 1.00 1.77 H new ATOM 0 HD2 ARG A 68 19.465 -5.487 -0.502 1.00 1.58 H new ATOM 0 HD3 ARG A 68 18.562 -5.076 -1.947 1.00 1.58 H new ATOM 0 HE ARG A 68 21.157 -5.591 -2.925 1.00 2.85 H new ATOM 0 HH11 ARG A 68 18.776 -7.282 -0.944 1.00 2.21 H new ATOM 0 HH12 ARG A 68 19.312 -8.879 -1.479 1.00 2.21 H new ATOM 0 HH21 ARG A 68 21.812 -7.635 -3.575 1.00 4.08 H new ATOM 0 HH22 ARG A 68 21.003 -9.074 -2.945 1.00 4.08 H new ATOM 1085 N CYS A 69 17.433 -0.241 -1.926 1.00 0.78 N ATOM 1086 CA CYS A 69 16.427 0.641 -2.587 1.00 0.68 C ATOM 1087 C CYS A 69 16.980 2.066 -2.711 1.00 0.72 C ATOM 1088 O CYS A 69 16.555 2.827 -3.556 1.00 0.80 O ATOM 1089 CB CYS A 69 15.142 0.666 -1.755 1.00 0.52 C ATOM 1090 SG CYS A 69 13.959 1.810 -2.512 1.00 0.93 S ATOM 0 H CYS A 69 17.098 -0.739 -1.101 1.00 0.78 H new ATOM 0 HA CYS A 69 16.212 0.251 -3.582 1.00 0.68 H new ATOM 0 HB2 CYS A 69 14.713 -0.334 -1.698 1.00 0.52 H new ATOM 0 HB3 CYS A 69 15.363 0.976 -0.734 1.00 0.52 H new ATOM 1095 N LEU A 70 17.915 2.435 -1.874 1.00 0.69 N ATOM 1096 CA LEU A 70 18.480 3.814 -1.950 1.00 0.78 C ATOM 1097 C LEU A 70 18.971 4.093 -3.373 1.00 1.13 C ATOM 1098 O LEU A 70 18.498 4.996 -4.035 1.00 1.28 O ATOM 1099 CB LEU A 70 19.651 3.939 -0.971 1.00 0.71 C ATOM 1100 CG LEU A 70 19.165 4.588 0.325 1.00 0.62 C ATOM 1101 CD1 LEU A 70 20.298 4.595 1.351 1.00 0.09 C ATOM 1102 CD2 LEU A 70 18.729 6.027 0.039 1.00 0.97 C ATOM 0 H LEU A 70 18.310 1.843 -1.144 1.00 0.69 H new ATOM 0 HA LEU A 70 17.707 4.536 -1.688 1.00 0.78 H new ATOM 0 HB2 LEU A 70 20.071 2.955 -0.762 1.00 0.71 H new ATOM 0 HB3 LEU A 70 20.447 4.538 -1.414 1.00 0.71 H new ATOM 0 HG LEU A 70 18.322 4.022 0.721 1.00 0.62 H new ATOM 0 HD11 LEU A 70 19.950 5.058 2.274 1.00 0.09 H new ATOM 0 HD12 LEU A 70 20.611 3.571 1.554 1.00 0.09 H new ATOM 0 HD13 LEU A 70 21.142 5.161 0.957 1.00 0.09 H new ATOM 0 HD21 LEU A 70 18.382 6.492 0.962 1.00 0.97 H new ATOM 0 HD22 LEU A 70 19.574 6.591 -0.357 1.00 0.97 H new ATOM 0 HD23 LEU A 70 17.921 6.024 -0.692 1.00 0.97 H new ATOM 1114 N GLY A 71 19.914 3.328 -3.851 1.00 1.35 N ATOM 1115 CA GLY A 71 20.428 3.555 -5.233 1.00 1.69 C ATOM 1116 C GLY A 71 21.915 3.914 -5.177 1.00 1.58 C ATOM 1117 O GLY A 71 22.510 3.975 -4.120 1.00 1.56 O ATOM 0 H GLY A 71 20.351 2.557 -3.346 1.00 1.35 H new ATOM 0 HA2 GLY A 71 20.283 2.660 -5.837 1.00 1.69 H new ATOM 0 HA3 GLY A 71 19.868 4.358 -5.713 1.00 1.69 H new ATOM 1121 N ALA A 72 22.521 4.150 -6.310 1.00 1.68 N ATOM 1122 CA ALA A 72 23.970 4.503 -6.323 1.00 1.72 C ATOM 1123 C ALA A 72 24.156 5.883 -6.958 1.00 1.79 C ATOM 1124 O ALA A 72 25.118 6.130 -7.659 1.00 2.15 O ATOM 1125 CB ALA A 72 24.741 3.460 -7.135 1.00 1.84 C ATOM 0 H ALA A 72 22.075 4.114 -7.227 1.00 1.68 H new ATOM 0 HA ALA A 72 24.348 4.521 -5.301 1.00 1.72 H new ATOM 0 HB1 ALA A 72 25.800 3.717 -7.145 1.00 1.84 H new ATOM 0 HB2 ALA A 72 24.610 2.477 -6.682 1.00 1.84 H new ATOM 0 HB3 ALA A 72 24.362 3.442 -8.157 1.00 1.84 H new ATOM 1131 N THR A 73 23.247 6.787 -6.718 1.00 1.51 N ATOM 1132 CA THR A 73 23.374 8.149 -7.307 1.00 1.57 C ATOM 1133 C THR A 73 22.867 9.185 -6.301 1.00 1.38 C ATOM 1134 O THR A 73 22.244 8.851 -5.313 1.00 1.18 O ATOM 1135 CB THR A 73 22.547 8.231 -8.591 1.00 1.75 C ATOM 1136 OG1 THR A 73 21.184 7.962 -8.291 1.00 1.87 O ATOM 1137 CG2 THR A 73 23.061 7.202 -9.599 1.00 2.02 C ATOM 0 H THR A 73 22.420 6.641 -6.138 1.00 1.51 H new ATOM 0 HA THR A 73 24.420 8.350 -7.540 1.00 1.57 H new ATOM 0 HB THR A 73 22.637 9.230 -9.018 1.00 1.75 H new ATOM 0 HG1 THR A 73 20.619 8.664 -8.677 1.00 1.87 H new ATOM 0 HG21 THR A 73 22.471 7.262 -10.513 1.00 2.02 H new ATOM 0 HG22 THR A 73 24.107 7.408 -9.828 1.00 2.02 H new ATOM 0 HG23 THR A 73 22.973 6.202 -9.175 1.00 2.02 H new ATOM 1145 N ALA A 74 23.130 10.440 -6.543 1.00 1.46 N ATOM 1146 CA ALA A 74 22.663 11.493 -5.598 1.00 1.30 C ATOM 1147 C ALA A 74 21.196 11.822 -5.880 1.00 1.13 C ATOM 1148 O ALA A 74 20.427 12.090 -4.977 1.00 0.94 O ATOM 1149 CB ALA A 74 23.513 12.753 -5.776 1.00 1.43 C ATOM 0 H ALA A 74 23.647 10.781 -7.353 1.00 1.46 H new ATOM 0 HA ALA A 74 22.762 11.130 -4.575 1.00 1.30 H new ATOM 0 HB1 ALA A 74 23.171 13.523 -5.085 1.00 1.43 H new ATOM 0 HB2 ALA A 74 24.558 12.519 -5.571 1.00 1.43 H new ATOM 0 HB3 ALA A 74 23.416 13.115 -6.799 1.00 1.43 H new ATOM 1155 N GLN A 75 20.799 11.803 -7.123 1.00 1.21 N ATOM 1156 CA GLN A 75 19.380 12.114 -7.455 1.00 1.09 C ATOM 1157 C GLN A 75 18.476 11.000 -6.923 1.00 1.00 C ATOM 1158 O GLN A 75 17.330 11.224 -6.586 1.00 1.01 O ATOM 1159 CB GLN A 75 19.220 12.218 -8.972 1.00 1.26 C ATOM 1160 CG GLN A 75 20.053 13.390 -9.492 1.00 1.20 C ATOM 1161 CD GLN A 75 20.610 13.047 -10.874 1.00 1.23 C ATOM 1162 OE1 GLN A 75 21.011 11.926 -11.119 1.00 1.64 O ATOM 1163 NE2 GLN A 75 20.652 13.970 -11.794 1.00 1.76 N ATOM 0 H GLN A 75 21.395 11.586 -7.922 1.00 1.21 H new ATOM 0 HA GLN A 75 19.100 13.062 -6.995 1.00 1.09 H new ATOM 0 HB2 GLN A 75 19.541 11.291 -9.447 1.00 1.26 H new ATOM 0 HB3 GLN A 75 18.170 12.361 -9.229 1.00 1.26 H new ATOM 0 HG2 GLN A 75 19.439 14.289 -9.549 1.00 1.20 H new ATOM 0 HG3 GLN A 75 20.869 13.604 -8.802 1.00 1.20 H new ATOM 0 HE21 GLN A 75 20.315 14.911 -11.588 1.00 1.76 H new ATOM 0 HE22 GLN A 75 21.021 13.751 -12.719 1.00 1.76 H new ATOM 1172 N GLN A 76 18.983 9.800 -6.841 1.00 0.91 N ATOM 1173 CA GLN A 76 18.151 8.676 -6.328 1.00 0.82 C ATOM 1174 C GLN A 76 17.950 8.829 -4.818 1.00 0.71 C ATOM 1175 O GLN A 76 16.984 8.346 -4.262 1.00 0.59 O ATOM 1176 CB GLN A 76 18.857 7.349 -6.616 1.00 0.93 C ATOM 1177 CG GLN A 76 18.552 6.907 -8.049 1.00 1.51 C ATOM 1178 CD GLN A 76 17.060 6.599 -8.182 1.00 2.04 C ATOM 1179 OE1 GLN A 76 16.370 7.207 -8.976 1.00 3.32 O ATOM 1180 NE2 GLN A 76 16.528 5.672 -7.432 1.00 1.92 N ATOM 0 H GLN A 76 19.936 9.550 -7.107 1.00 0.91 H new ATOM 0 HA GLN A 76 17.180 8.690 -6.824 1.00 0.82 H new ATOM 0 HB2 GLN A 76 19.933 7.461 -6.480 1.00 0.93 H new ATOM 0 HB3 GLN A 76 18.524 6.587 -5.911 1.00 0.93 H new ATOM 0 HG2 GLN A 76 18.836 7.691 -8.751 1.00 1.51 H new ATOM 0 HG3 GLN A 76 19.140 6.025 -8.302 1.00 1.51 H new ATOM 0 HE21 GLN A 76 17.107 5.161 -6.765 1.00 1.92 H new ATOM 0 HE22 GLN A 76 15.534 5.459 -7.513 1.00 1.92 H new ATOM 1189 N PHE A 77 18.853 9.494 -4.147 1.00 0.79 N ATOM 1190 CA PHE A 77 18.707 9.671 -2.674 1.00 0.73 C ATOM 1191 C PHE A 77 17.455 10.499 -2.380 1.00 0.54 C ATOM 1192 O PHE A 77 16.560 10.064 -1.682 1.00 0.58 O ATOM 1193 CB PHE A 77 19.936 10.396 -2.123 1.00 0.88 C ATOM 1194 CG PHE A 77 20.458 9.660 -0.913 1.00 0.88 C ATOM 1195 CD1 PHE A 77 19.912 9.916 0.351 1.00 0.54 C ATOM 1196 CD2 PHE A 77 21.489 8.723 -1.054 1.00 1.37 C ATOM 1197 CE1 PHE A 77 20.397 9.235 1.474 1.00 0.84 C ATOM 1198 CE2 PHE A 77 21.973 8.042 0.070 1.00 1.60 C ATOM 1199 CZ PHE A 77 21.428 8.298 1.333 1.00 1.36 C ATOM 0 H PHE A 77 19.684 9.921 -4.555 1.00 0.79 H new ATOM 0 HA PHE A 77 18.617 8.694 -2.199 1.00 0.73 H new ATOM 0 HB2 PHE A 77 20.710 10.454 -2.888 1.00 0.88 H new ATOM 0 HB3 PHE A 77 19.677 11.420 -1.854 1.00 0.88 H new ATOM 0 HD1 PHE A 77 19.117 10.639 0.459 1.00 0.54 H new ATOM 0 HD2 PHE A 77 21.911 8.526 -2.029 1.00 1.37 H new ATOM 0 HE1 PHE A 77 19.976 9.432 2.449 1.00 0.84 H new ATOM 0 HE2 PHE A 77 22.768 7.319 -0.038 1.00 1.60 H new ATOM 0 HZ PHE A 77 21.803 7.773 2.199 1.00 1.36 H new ATOM 1209 N HIS A 78 17.384 11.692 -2.904 1.00 0.43 N ATOM 1210 CA HIS A 78 16.192 12.549 -2.650 1.00 0.26 C ATOM 1211 C HIS A 78 14.939 11.860 -3.196 1.00 0.27 C ATOM 1212 O HIS A 78 13.912 11.816 -2.549 1.00 0.17 O ATOM 1213 CB HIS A 78 16.374 13.900 -3.344 1.00 0.38 C ATOM 1214 CG HIS A 78 15.680 14.968 -2.546 1.00 0.73 C ATOM 1215 ND1 HIS A 78 14.369 15.342 -2.795 1.00 1.01 N ATOM 1216 CD2 HIS A 78 16.100 15.750 -1.499 1.00 1.45 C ATOM 1217 CE1 HIS A 78 14.048 16.307 -1.915 1.00 1.45 C ATOM 1218 NE2 HIS A 78 15.068 16.595 -1.101 1.00 1.84 N ATOM 0 H HIS A 78 18.100 12.110 -3.497 1.00 0.43 H new ATOM 0 HA HIS A 78 16.082 12.705 -1.577 1.00 0.26 H new ATOM 0 HB2 HIS A 78 17.435 14.133 -3.439 1.00 0.38 H new ATOM 0 HB3 HIS A 78 15.965 13.861 -4.353 1.00 0.38 H new ATOM 0 HD2 HIS A 78 17.082 15.715 -1.052 1.00 1.45 H new ATOM 0 HE1 HIS A 78 13.083 16.790 -1.871 1.00 1.45 H new ATOM 0 HE2 HIS A 78 15.086 17.285 -0.350 1.00 1.84 H new ATOM 1226 N ARG A 79 15.016 11.326 -4.382 1.00 0.50 N ATOM 1227 CA ARG A 79 13.829 10.642 -4.969 1.00 0.51 C ATOM 1228 C ARG A 79 13.333 9.561 -4.008 1.00 0.51 C ATOM 1229 O ARG A 79 12.158 9.261 -3.950 1.00 0.50 O ATOM 1230 CB ARG A 79 14.215 10.000 -6.304 1.00 0.55 C ATOM 1231 CG ARG A 79 12.982 9.923 -7.206 1.00 0.97 C ATOM 1232 CD ARG A 79 13.289 10.591 -8.548 1.00 0.79 C ATOM 1233 NE ARG A 79 12.709 11.965 -8.563 1.00 1.63 N ATOM 1234 CZ ARG A 79 13.077 12.843 -9.468 1.00 1.89 C ATOM 1235 NH1 ARG A 79 13.964 12.544 -10.386 1.00 1.81 N ATOM 1236 NH2 ARG A 79 12.548 14.035 -9.452 1.00 2.91 N ATOM 0 H ARG A 79 15.849 11.333 -4.971 1.00 0.50 H new ATOM 0 HA ARG A 79 13.037 11.372 -5.133 1.00 0.51 H new ATOM 0 HB2 ARG A 79 14.998 10.584 -6.788 1.00 0.55 H new ATOM 0 HB3 ARG A 79 14.620 9.002 -6.137 1.00 0.55 H new ATOM 0 HG2 ARG A 79 12.697 8.883 -7.362 1.00 0.97 H new ATOM 0 HG3 ARG A 79 12.136 10.417 -6.727 1.00 0.97 H new ATOM 0 HD2 ARG A 79 14.367 10.638 -8.705 1.00 0.79 H new ATOM 0 HD3 ARG A 79 12.873 10.000 -9.364 1.00 0.79 H new ATOM 0 HE ARG A 79 12.017 12.226 -7.861 1.00 1.63 H new ATOM 0 HH11 ARG A 79 14.383 11.614 -10.407 1.00 1.81 H new ATOM 0 HH12 ARG A 79 14.235 13.241 -11.079 1.00 1.81 H new ATOM 0 HH21 ARG A 79 11.857 14.277 -8.742 1.00 2.91 H new ATOM 0 HH22 ARG A 79 12.826 14.726 -10.149 1.00 2.91 H new ATOM 1250 N HIS A 80 14.218 8.974 -3.249 1.00 0.52 N ATOM 1251 CA HIS A 80 13.789 7.917 -2.291 1.00 0.52 C ATOM 1252 C HIS A 80 13.083 8.577 -1.108 1.00 0.51 C ATOM 1253 O HIS A 80 12.116 8.062 -0.579 1.00 0.51 O ATOM 1254 CB HIS A 80 15.014 7.146 -1.794 1.00 0.53 C ATOM 1255 CG HIS A 80 14.600 6.217 -0.687 1.00 0.41 C ATOM 1256 ND1 HIS A 80 13.873 5.060 -0.925 1.00 0.60 N ATOM 1257 CD2 HIS A 80 14.800 6.261 0.670 1.00 1.12 C ATOM 1258 CE1 HIS A 80 13.663 4.463 0.263 1.00 0.34 C ATOM 1259 NE2 HIS A 80 14.208 5.154 1.268 1.00 1.09 N ATOM 0 H HIS A 80 15.217 9.180 -3.251 1.00 0.52 H new ATOM 0 HA HIS A 80 13.109 7.224 -2.786 1.00 0.52 H new ATOM 0 HB2 HIS A 80 15.458 6.580 -2.613 1.00 0.53 H new ATOM 0 HB3 HIS A 80 15.775 7.840 -1.437 1.00 0.53 H new ATOM 0 HD2 HIS A 80 15.336 7.038 1.194 1.00 1.12 H new ATOM 0 HE1 HIS A 80 13.120 3.538 0.388 1.00 0.34 H new ATOM 0 HE2 HIS A 80 14.193 4.920 2.261 1.00 1.09 H new ATOM 1267 N LYS A 81 13.555 9.720 -0.693 1.00 0.50 N ATOM 1268 CA LYS A 81 12.910 10.423 0.448 1.00 0.50 C ATOM 1269 C LYS A 81 11.429 10.632 0.130 1.00 0.48 C ATOM 1270 O LYS A 81 10.590 10.649 1.009 1.00 0.47 O ATOM 1271 CB LYS A 81 13.588 11.780 0.656 1.00 0.57 C ATOM 1272 CG LYS A 81 13.865 12.000 2.146 1.00 0.30 C ATOM 1273 CD LYS A 81 15.369 12.190 2.369 1.00 1.24 C ATOM 1274 CE LYS A 81 15.969 10.900 2.931 1.00 2.34 C ATOM 1275 NZ LYS A 81 17.145 11.232 3.784 1.00 2.95 N ATOM 0 H LYS A 81 14.361 10.197 -1.097 1.00 0.50 H new ATOM 0 HA LYS A 81 13.010 9.828 1.356 1.00 0.50 H new ATOM 0 HB2 LYS A 81 14.521 11.820 0.094 1.00 0.57 H new ATOM 0 HB3 LYS A 81 12.951 12.577 0.274 1.00 0.57 H new ATOM 0 HG2 LYS A 81 13.321 12.875 2.501 1.00 0.30 H new ATOM 0 HG3 LYS A 81 13.507 11.147 2.722 1.00 0.30 H new ATOM 0 HD2 LYS A 81 15.856 12.451 1.430 1.00 1.24 H new ATOM 0 HD3 LYS A 81 15.544 13.016 3.059 1.00 1.24 H new ATOM 0 HE2 LYS A 81 15.222 10.363 3.515 1.00 2.34 H new ATOM 0 HE3 LYS A 81 16.271 10.241 2.117 1.00 2.34 H new ATOM 0 HZ1 LYS A 81 17.554 10.356 4.167 1.00 2.95 H new ATOM 0 HZ2 LYS A 81 17.859 11.727 3.213 1.00 2.95 H new ATOM 0 HZ3 LYS A 81 16.843 11.845 4.568 1.00 2.95 H new ATOM 1289 N GLN A 82 11.100 10.785 -1.124 1.00 0.49 N ATOM 1290 CA GLN A 82 9.676 10.983 -1.505 1.00 0.52 C ATOM 1291 C GLN A 82 8.937 9.649 -1.391 1.00 0.45 C ATOM 1292 O GLN A 82 7.790 9.595 -1.000 1.00 0.43 O ATOM 1293 CB GLN A 82 9.600 11.491 -2.945 1.00 0.60 C ATOM 1294 CG GLN A 82 10.582 12.650 -3.132 1.00 1.09 C ATOM 1295 CD GLN A 82 9.833 13.873 -3.664 1.00 0.99 C ATOM 1296 OE1 GLN A 82 9.270 14.635 -2.903 1.00 1.23 O ATOM 1297 NE2 GLN A 82 9.803 14.095 -4.950 1.00 1.72 N ATOM 0 H GLN A 82 11.760 10.781 -1.902 1.00 0.49 H new ATOM 0 HA GLN A 82 9.215 11.714 -0.841 1.00 0.52 H new ATOM 0 HB2 GLN A 82 9.837 10.685 -3.639 1.00 0.60 H new ATOM 0 HB3 GLN A 82 8.586 11.820 -3.173 1.00 0.60 H new ATOM 0 HG2 GLN A 82 11.063 12.889 -2.184 1.00 1.09 H new ATOM 0 HG3 GLN A 82 11.371 12.363 -3.827 1.00 1.09 H new ATOM 0 HE21 GLN A 82 10.275 13.456 -5.589 1.00 1.72 H new ATOM 0 HE22 GLN A 82 9.307 14.908 -5.316 1.00 1.72 H new ATOM 1306 N LEU A 83 9.590 8.571 -1.727 1.00 0.44 N ATOM 1307 CA LEU A 83 8.934 7.236 -1.637 1.00 0.42 C ATOM 1308 C LEU A 83 8.398 7.033 -0.216 1.00 0.34 C ATOM 1309 O LEU A 83 7.278 6.607 -0.019 1.00 0.40 O ATOM 1310 CB LEU A 83 9.967 6.148 -1.970 1.00 0.40 C ATOM 1311 CG LEU A 83 9.457 4.770 -1.539 1.00 0.69 C ATOM 1312 CD1 LEU A 83 8.143 4.455 -2.257 1.00 1.02 C ATOM 1313 CD2 LEU A 83 10.500 3.711 -1.907 1.00 1.31 C ATOM 0 H LEU A 83 10.554 8.557 -2.061 1.00 0.44 H new ATOM 0 HA LEU A 83 8.106 7.176 -2.343 1.00 0.42 H new ATOM 0 HB2 LEU A 83 10.170 6.148 -3.041 1.00 0.40 H new ATOM 0 HB3 LEU A 83 10.909 6.367 -1.467 1.00 0.40 H new ATOM 0 HG LEU A 83 9.288 4.767 -0.462 1.00 0.69 H new ATOM 0 HD11 LEU A 83 7.785 3.473 -1.946 1.00 1.02 H new ATOM 0 HD12 LEU A 83 7.399 5.210 -2.002 1.00 1.02 H new ATOM 0 HD13 LEU A 83 8.308 4.457 -3.334 1.00 1.02 H new ATOM 0 HD21 LEU A 83 10.143 2.727 -1.603 1.00 1.31 H new ATOM 0 HD22 LEU A 83 10.663 3.720 -2.985 1.00 1.31 H new ATOM 0 HD23 LEU A 83 11.437 3.931 -1.396 1.00 1.31 H new ATOM 1325 N ILE A 84 9.197 7.332 0.771 1.00 0.28 N ATOM 1326 CA ILE A 84 8.752 7.154 2.185 1.00 0.38 C ATOM 1327 C ILE A 84 7.609 8.121 2.507 1.00 0.57 C ATOM 1328 O ILE A 84 6.738 7.822 3.297 1.00 0.60 O ATOM 1329 CB ILE A 84 9.931 7.440 3.116 1.00 0.43 C ATOM 1330 CG1 ILE A 84 11.156 6.649 2.647 1.00 0.37 C ATOM 1331 CG2 ILE A 84 9.571 7.025 4.544 1.00 0.49 C ATOM 1332 CD1 ILE A 84 10.739 5.230 2.250 1.00 0.33 C ATOM 0 H ILE A 84 10.144 7.694 0.660 1.00 0.28 H new ATOM 0 HA ILE A 84 8.400 6.132 2.325 1.00 0.38 H new ATOM 0 HB ILE A 84 10.157 8.506 3.096 1.00 0.43 H new ATOM 0 HG12 ILE A 84 11.621 7.151 1.799 1.00 0.37 H new ATOM 0 HG13 ILE A 84 11.901 6.610 3.442 1.00 0.37 H new ATOM 0 HG21 ILE A 84 10.413 7.230 5.206 1.00 0.49 H new ATOM 0 HG22 ILE A 84 8.701 7.590 4.879 1.00 0.49 H new ATOM 0 HG23 ILE A 84 9.343 5.959 4.567 1.00 0.49 H new ATOM 0 HD11 ILE A 84 11.615 4.673 1.917 1.00 0.33 H new ATOM 0 HD12 ILE A 84 10.294 4.728 3.109 1.00 0.33 H new ATOM 0 HD13 ILE A 84 10.011 5.278 1.440 1.00 0.33 H new ATOM 1344 N ARG A 85 7.609 9.281 1.915 1.00 0.73 N ATOM 1345 CA ARG A 85 6.523 10.263 2.201 1.00 0.92 C ATOM 1346 C ARG A 85 5.168 9.686 1.779 1.00 0.76 C ATOM 1347 O ARG A 85 4.200 9.736 2.514 1.00 0.75 O ATOM 1348 CB ARG A 85 6.791 11.553 1.420 1.00 1.20 C ATOM 1349 CG ARG A 85 6.956 12.721 2.394 1.00 1.22 C ATOM 1350 CD ARG A 85 7.849 13.790 1.761 1.00 1.60 C ATOM 1351 NE ARG A 85 8.694 14.427 2.814 1.00 1.52 N ATOM 1352 CZ ARG A 85 9.739 15.158 2.494 1.00 2.10 C ATOM 1353 NH1 ARG A 85 10.072 15.356 1.241 1.00 2.49 N ATOM 1354 NH2 ARG A 85 10.457 15.698 3.440 1.00 2.59 N ATOM 0 H ARG A 85 8.312 9.593 1.246 1.00 0.73 H new ATOM 0 HA ARG A 85 6.503 10.474 3.270 1.00 0.92 H new ATOM 0 HB2 ARG A 85 7.690 11.442 0.814 1.00 1.20 H new ATOM 0 HB3 ARG A 85 5.967 11.752 0.734 1.00 1.20 H new ATOM 0 HG2 ARG A 85 5.982 13.144 2.640 1.00 1.22 H new ATOM 0 HG3 ARG A 85 7.396 12.371 3.328 1.00 1.22 H new ATOM 0 HD2 ARG A 85 8.482 13.342 0.995 1.00 1.60 H new ATOM 0 HD3 ARG A 85 7.236 14.544 1.267 1.00 1.60 H new ATOM 0 HE ARG A 85 8.457 14.293 3.797 1.00 1.52 H new ATOM 0 HH11 ARG A 85 9.516 14.940 0.494 1.00 2.49 H new ATOM 0 HH12 ARG A 85 10.886 15.926 1.014 1.00 2.49 H new ATOM 0 HH21 ARG A 85 10.206 15.551 4.418 1.00 2.59 H new ATOM 0 HH22 ARG A 85 11.270 16.267 3.202 1.00 2.59 H new ATOM 1368 N PHE A 86 5.089 9.147 0.595 1.00 0.70 N ATOM 1369 CA PHE A 86 3.800 8.580 0.111 1.00 0.61 C ATOM 1370 C PHE A 86 3.390 7.384 0.970 1.00 0.43 C ATOM 1371 O PHE A 86 2.354 7.398 1.600 1.00 0.05 O ATOM 1372 CB PHE A 86 3.955 8.134 -1.343 1.00 0.68 C ATOM 1373 CG PHE A 86 3.545 9.264 -2.254 1.00 0.60 C ATOM 1374 CD1 PHE A 86 2.257 9.802 -2.163 1.00 0.65 C ATOM 1375 CD2 PHE A 86 4.454 9.774 -3.189 1.00 1.31 C ATOM 1376 CE1 PHE A 86 1.875 10.850 -3.007 1.00 0.87 C ATOM 1377 CE2 PHE A 86 4.072 10.823 -4.034 1.00 1.45 C ATOM 1378 CZ PHE A 86 2.783 11.362 -3.944 1.00 1.04 C ATOM 0 H PHE A 86 5.866 9.074 -0.062 1.00 0.70 H new ATOM 0 HA PHE A 86 3.028 9.346 0.182 1.00 0.61 H new ATOM 0 HB2 PHE A 86 4.988 7.848 -1.540 1.00 0.68 H new ATOM 0 HB3 PHE A 86 3.339 7.255 -1.534 1.00 0.68 H new ATOM 0 HD1 PHE A 86 1.557 9.408 -1.441 1.00 0.65 H new ATOM 0 HD2 PHE A 86 5.449 9.359 -3.258 1.00 1.31 H new ATOM 0 HE1 PHE A 86 0.880 11.265 -2.937 1.00 0.87 H new ATOM 0 HE2 PHE A 86 4.772 11.217 -4.756 1.00 1.45 H new ATOM 0 HZ PHE A 86 2.489 12.171 -4.596 1.00 1.04 H new ATOM 1388 N LEU A 87 4.185 6.346 0.989 1.00 0.79 N ATOM 1389 CA LEU A 87 3.823 5.143 1.804 1.00 0.64 C ATOM 1390 C LEU A 87 3.493 5.556 3.241 1.00 0.55 C ATOM 1391 O LEU A 87 2.750 4.886 3.932 1.00 0.48 O ATOM 1392 CB LEU A 87 4.978 4.127 1.812 1.00 0.81 C ATOM 1393 CG LEU A 87 6.308 4.805 2.154 1.00 1.91 C ATOM 1394 CD1 LEU A 87 6.534 4.769 3.666 1.00 2.59 C ATOM 1395 CD2 LEU A 87 7.440 4.046 1.458 1.00 2.99 C ATOM 0 H LEU A 87 5.066 6.277 0.479 1.00 0.79 H new ATOM 0 HA LEU A 87 2.946 4.678 1.353 1.00 0.64 H new ATOM 0 HB2 LEU A 87 4.770 3.341 2.538 1.00 0.81 H new ATOM 0 HB3 LEU A 87 5.051 3.648 0.836 1.00 0.81 H new ATOM 0 HG LEU A 87 6.287 5.842 1.819 1.00 1.91 H new ATOM 0 HD11 LEU A 87 7.481 5.253 3.904 1.00 2.59 H new ATOM 0 HD12 LEU A 87 5.722 5.295 4.168 1.00 2.59 H new ATOM 0 HD13 LEU A 87 6.560 3.734 4.005 1.00 2.59 H new ATOM 0 HD21 LEU A 87 8.394 4.519 1.693 1.00 2.99 H new ATOM 0 HD22 LEU A 87 7.452 3.013 1.804 1.00 2.99 H new ATOM 0 HD23 LEU A 87 7.282 4.065 0.380 1.00 2.99 H new ATOM 1407 N LYS A 88 4.028 6.654 3.699 1.00 0.75 N ATOM 1408 CA LYS A 88 3.729 7.100 5.088 1.00 0.75 C ATOM 1409 C LYS A 88 2.255 7.491 5.177 1.00 0.55 C ATOM 1410 O LYS A 88 1.547 7.087 6.079 1.00 0.56 O ATOM 1411 CB LYS A 88 4.602 8.307 5.440 1.00 1.01 C ATOM 1412 CG LYS A 88 5.682 7.880 6.436 1.00 0.53 C ATOM 1413 CD LYS A 88 6.038 9.059 7.342 1.00 0.67 C ATOM 1414 CE LYS A 88 5.421 8.844 8.725 1.00 1.31 C ATOM 1415 NZ LYS A 88 4.999 10.157 9.289 1.00 2.01 N ATOM 0 H LYS A 88 4.658 7.260 3.173 1.00 0.75 H new ATOM 0 HA LYS A 88 3.939 6.291 5.788 1.00 0.75 H new ATOM 0 HB2 LYS A 88 5.062 8.712 4.539 1.00 1.01 H new ATOM 0 HB3 LYS A 88 3.989 9.100 5.869 1.00 1.01 H new ATOM 0 HG2 LYS A 88 5.327 7.042 7.035 1.00 0.53 H new ATOM 0 HG3 LYS A 88 6.569 7.538 5.902 1.00 0.53 H new ATOM 0 HD2 LYS A 88 7.121 9.153 7.426 1.00 0.67 H new ATOM 0 HD3 LYS A 88 5.670 9.989 6.908 1.00 0.67 H new ATOM 0 HE2 LYS A 88 4.564 8.175 8.653 1.00 1.31 H new ATOM 0 HE3 LYS A 88 6.143 8.367 9.387 1.00 1.31 H new ATOM 0 HZ1 LYS A 88 4.579 10.012 10.229 1.00 2.01 H new ATOM 0 HZ2 LYS A 88 5.827 10.781 9.372 1.00 2.01 H new ATOM 0 HZ3 LYS A 88 4.296 10.595 8.660 1.00 2.01 H new ATOM 1429 N ARG A 89 1.786 8.269 4.243 1.00 0.46 N ATOM 1430 CA ARG A 89 0.354 8.680 4.266 1.00 0.33 C ATOM 1431 C ARG A 89 -0.533 7.445 4.076 1.00 0.32 C ATOM 1432 O ARG A 89 -1.647 7.387 4.559 1.00 0.37 O ATOM 1433 CB ARG A 89 0.099 9.673 3.129 1.00 0.43 C ATOM 1434 CG ARG A 89 -1.340 10.182 3.203 1.00 1.08 C ATOM 1435 CD ARG A 89 -1.341 11.712 3.221 1.00 0.90 C ATOM 1436 NE ARG A 89 -1.518 12.226 1.832 1.00 0.70 N ATOM 1437 CZ ARG A 89 -1.838 13.481 1.611 1.00 0.98 C ATOM 1438 NH1 ARG A 89 -2.017 14.322 2.600 1.00 1.68 N ATOM 1439 NH2 ARG A 89 -1.980 13.898 0.383 1.00 0.92 N ATOM 0 H ARG A 89 2.332 8.638 3.464 1.00 0.46 H new ATOM 0 HA ARG A 89 0.120 9.149 5.222 1.00 0.33 H new ATOM 0 HB2 ARG A 89 0.795 10.509 3.200 1.00 0.43 H new ATOM 0 HB3 ARG A 89 0.276 9.192 2.167 1.00 0.43 H new ATOM 0 HG2 ARG A 89 -1.910 9.818 2.348 1.00 1.08 H new ATOM 0 HG3 ARG A 89 -1.827 9.797 4.099 1.00 1.08 H new ATOM 0 HD2 ARG A 89 -2.144 12.078 3.861 1.00 0.90 H new ATOM 0 HD3 ARG A 89 -0.405 12.082 3.641 1.00 0.90 H new ATOM 0 HE ARG A 89 -1.389 11.594 1.042 1.00 0.70 H new ATOM 0 HH11 ARG A 89 -1.908 14.006 3.564 1.00 1.68 H new ATOM 0 HH12 ARG A 89 -2.265 15.292 2.406 1.00 1.68 H new ATOM 0 HH21 ARG A 89 -1.843 13.252 -0.394 1.00 0.92 H new ATOM 0 HH22 ARG A 89 -2.228 14.870 0.200 1.00 0.92 H new ATOM 1453 N LEU A 90 -0.045 6.460 3.370 1.00 0.43 N ATOM 1454 CA LEU A 90 -0.849 5.227 3.129 1.00 0.58 C ATOM 1455 C LEU A 90 -0.840 4.328 4.371 1.00 0.56 C ATOM 1456 O LEU A 90 -1.679 3.466 4.521 1.00 0.63 O ATOM 1457 CB LEU A 90 -0.240 4.456 1.956 1.00 0.71 C ATOM 1458 CG LEU A 90 -1.257 4.355 0.818 1.00 0.39 C ATOM 1459 CD1 LEU A 90 -0.558 3.841 -0.441 1.00 2.13 C ATOM 1460 CD2 LEU A 90 -2.372 3.386 1.215 1.00 1.41 C ATOM 0 H LEU A 90 0.883 6.457 2.947 1.00 0.43 H new ATOM 0 HA LEU A 90 -1.876 5.514 2.906 1.00 0.58 H new ATOM 0 HB2 LEU A 90 0.661 4.960 1.607 1.00 0.71 H new ATOM 0 HB3 LEU A 90 0.057 3.459 2.280 1.00 0.71 H new ATOM 0 HG LEU A 90 -1.685 5.338 0.622 1.00 0.39 H new ATOM 0 HD11 LEU A 90 -1.280 3.768 -1.254 1.00 2.13 H new ATOM 0 HD12 LEU A 90 0.237 4.531 -0.723 1.00 2.13 H new ATOM 0 HD13 LEU A 90 -0.132 2.857 -0.245 1.00 2.13 H new ATOM 0 HD21 LEU A 90 -3.097 3.314 0.404 1.00 1.41 H new ATOM 0 HD22 LEU A 90 -1.946 2.402 1.410 1.00 1.41 H new ATOM 0 HD23 LEU A 90 -2.868 3.751 2.114 1.00 1.41 H new ATOM 1472 N ASP A 91 0.101 4.500 5.253 1.00 0.51 N ATOM 1473 CA ASP A 91 0.147 3.628 6.461 1.00 0.56 C ATOM 1474 C ASP A 91 -1.081 3.869 7.343 1.00 0.55 C ATOM 1475 O ASP A 91 -1.721 2.940 7.795 1.00 0.70 O ATOM 1476 CB ASP A 91 1.415 3.935 7.260 1.00 0.52 C ATOM 1477 CG ASP A 91 1.088 3.940 8.754 1.00 1.34 C ATOM 1478 OD1 ASP A 91 0.718 2.894 9.262 1.00 1.55 O ATOM 1479 OD2 ASP A 91 1.214 4.988 9.365 1.00 2.51 O ATOM 0 H ASP A 91 0.838 5.202 5.193 1.00 0.51 H new ATOM 0 HA ASP A 91 0.152 2.586 6.143 1.00 0.56 H new ATOM 0 HB2 ASP A 91 2.181 3.189 7.047 1.00 0.52 H new ATOM 0 HB3 ASP A 91 1.820 4.902 6.962 1.00 0.52 H new ATOM 1484 N ARG A 92 -1.406 5.103 7.613 1.00 0.40 N ATOM 1485 CA ARG A 92 -2.580 5.388 8.490 1.00 0.40 C ATOM 1486 C ARG A 92 -3.866 5.541 7.667 1.00 0.43 C ATOM 1487 O ARG A 92 -4.953 5.393 8.183 1.00 0.46 O ATOM 1488 CB ARG A 92 -2.330 6.686 9.259 1.00 0.31 C ATOM 1489 CG ARG A 92 -1.912 6.371 10.699 1.00 0.86 C ATOM 1490 CD ARG A 92 -2.804 7.146 11.671 1.00 1.10 C ATOM 1491 NE ARG A 92 -3.824 6.226 12.255 1.00 1.11 N ATOM 1492 CZ ARG A 92 -4.519 6.572 13.315 1.00 1.58 C ATOM 1493 NH1 ARG A 92 -4.346 7.737 13.891 1.00 1.98 N ATOM 1494 NH2 ARG A 92 -5.401 5.742 13.802 1.00 2.79 N ATOM 0 H ARG A 92 -0.912 5.925 7.266 1.00 0.40 H new ATOM 0 HA ARG A 92 -2.704 4.550 9.177 1.00 0.40 H new ATOM 0 HB2 ARG A 92 -1.551 7.267 8.765 1.00 0.31 H new ATOM 0 HB3 ARG A 92 -3.232 7.298 9.259 1.00 0.31 H new ATOM 0 HG2 ARG A 92 -1.995 5.301 10.887 1.00 0.86 H new ATOM 0 HG3 ARG A 92 -0.867 6.641 10.853 1.00 0.86 H new ATOM 0 HD2 ARG A 92 -2.199 7.586 12.464 1.00 1.10 H new ATOM 0 HD3 ARG A 92 -3.296 7.969 11.152 1.00 1.10 H new ATOM 0 HE ARG A 92 -3.984 5.315 11.825 1.00 1.11 H new ATOM 0 HH11 ARG A 92 -3.662 8.394 13.517 1.00 1.98 H new ATOM 0 HH12 ARG A 92 -4.896 7.986 14.713 1.00 1.98 H new ATOM 0 HH21 ARG A 92 -5.546 4.834 13.360 1.00 2.79 H new ATOM 0 HH22 ARG A 92 -5.946 6.001 14.625 1.00 2.79 H new ATOM 1508 N ASN A 93 -3.764 5.866 6.409 1.00 0.44 N ATOM 1509 CA ASN A 93 -5.004 6.061 5.596 1.00 0.50 C ATOM 1510 C ASN A 93 -5.612 4.718 5.175 1.00 0.59 C ATOM 1511 O ASN A 93 -6.816 4.553 5.166 1.00 0.67 O ATOM 1512 CB ASN A 93 -4.666 6.875 4.345 1.00 0.55 C ATOM 1513 CG ASN A 93 -4.746 8.372 4.665 1.00 0.46 C ATOM 1514 OD1 ASN A 93 -5.229 9.148 3.865 1.00 1.05 O ATOM 1515 ND2 ASN A 93 -4.290 8.814 5.806 1.00 1.47 N ATOM 0 H ASN A 93 -2.886 6.005 5.909 1.00 0.44 H new ATOM 0 HA ASN A 93 -5.734 6.591 6.208 1.00 0.50 H new ATOM 0 HB2 ASN A 93 -3.666 6.621 3.994 1.00 0.55 H new ATOM 0 HB3 ASN A 93 -5.359 6.628 3.540 1.00 0.55 H new ATOM 0 HD21 ASN A 93 -4.340 9.809 6.024 1.00 1.47 H new ATOM 0 HD22 ASN A 93 -3.884 8.164 6.479 1.00 1.47 H new ATOM 1522 N LEU A 94 -4.804 3.768 4.803 1.00 0.59 N ATOM 1523 CA LEU A 94 -5.357 2.454 4.357 1.00 0.68 C ATOM 1524 C LEU A 94 -6.283 1.859 5.424 1.00 0.53 C ATOM 1525 O LEU A 94 -7.467 1.693 5.203 1.00 0.40 O ATOM 1526 CB LEU A 94 -4.211 1.479 4.085 1.00 0.89 C ATOM 1527 CG LEU A 94 -4.420 0.818 2.723 1.00 0.66 C ATOM 1528 CD1 LEU A 94 -3.104 0.202 2.245 1.00 2.22 C ATOM 1529 CD2 LEU A 94 -5.479 -0.278 2.848 1.00 1.50 C ATOM 0 H LEU A 94 -3.787 3.840 4.787 1.00 0.59 H new ATOM 0 HA LEU A 94 -5.932 2.617 3.446 1.00 0.68 H new ATOM 0 HB2 LEU A 94 -3.258 2.007 4.103 1.00 0.89 H new ATOM 0 HB3 LEU A 94 -4.170 0.721 4.867 1.00 0.89 H new ATOM 0 HG LEU A 94 -4.752 1.566 2.003 1.00 0.66 H new ATOM 0 HD11 LEU A 94 -3.254 -0.269 1.274 1.00 2.22 H new ATOM 0 HD12 LEU A 94 -2.348 0.982 2.157 1.00 2.22 H new ATOM 0 HD13 LEU A 94 -2.771 -0.547 2.964 1.00 2.22 H new ATOM 0 HD21 LEU A 94 -5.630 -0.751 1.877 1.00 1.50 H new ATOM 0 HD22 LEU A 94 -5.146 -1.025 3.568 1.00 1.50 H new ATOM 0 HD23 LEU A 94 -6.418 0.160 3.188 1.00 1.50 H new ATOM 1541 N TRP A 95 -5.758 1.513 6.567 1.00 0.58 N ATOM 1542 CA TRP A 95 -6.623 0.901 7.624 1.00 0.52 C ATOM 1543 C TRP A 95 -7.311 1.978 8.463 1.00 0.38 C ATOM 1544 O TRP A 95 -8.288 1.709 9.132 1.00 0.39 O ATOM 1545 CB TRP A 95 -5.774 0.031 8.541 1.00 0.76 C ATOM 1546 CG TRP A 95 -5.194 0.872 9.624 1.00 0.34 C ATOM 1547 CD1 TRP A 95 -4.025 1.534 9.537 1.00 1.11 C ATOM 1548 CD2 TRP A 95 -5.730 1.151 10.948 1.00 0.80 C ATOM 1549 NE1 TRP A 95 -3.802 2.208 10.725 1.00 1.46 N ATOM 1550 CE2 TRP A 95 -4.828 2.001 11.629 1.00 1.10 C ATOM 1551 CE3 TRP A 95 -6.899 0.752 11.617 1.00 1.65 C ATOM 1552 CZ2 TRP A 95 -5.078 2.441 12.929 1.00 1.56 C ATOM 1553 CZ3 TRP A 95 -7.155 1.193 12.926 1.00 2.13 C ATOM 1554 CH2 TRP A 95 -6.245 2.036 13.581 1.00 1.92 C ATOM 0 H TRP A 95 -4.775 1.625 6.817 1.00 0.58 H new ATOM 0 HA TRP A 95 -7.385 0.298 7.130 1.00 0.52 H new ATOM 0 HB2 TRP A 95 -6.382 -0.765 8.970 1.00 0.76 H new ATOM 0 HB3 TRP A 95 -4.978 -0.448 7.971 1.00 0.76 H new ATOM 0 HD1 TRP A 95 -3.368 1.538 8.680 1.00 1.11 H new ATOM 0 HE1 TRP A 95 -2.982 2.786 10.911 1.00 1.46 H new ATOM 0 HE3 TRP A 95 -7.605 0.102 11.122 1.00 1.65 H new ATOM 0 HZ2 TRP A 95 -4.374 3.090 13.428 1.00 1.56 H new ATOM 0 HZ3 TRP A 95 -8.057 0.881 13.431 1.00 2.13 H new ATOM 0 HH2 TRP A 95 -6.446 2.371 14.588 1.00 1.92 H new ATOM 1565 N GLY A 96 -6.807 3.183 8.445 1.00 0.38 N ATOM 1566 CA GLY A 96 -7.442 4.276 9.248 1.00 0.40 C ATOM 1567 C GLY A 96 -8.945 4.296 8.964 1.00 0.42 C ATOM 1568 O GLY A 96 -9.752 4.585 9.824 1.00 0.53 O ATOM 0 H GLY A 96 -5.984 3.461 7.910 1.00 0.38 H new ATOM 0 HA2 GLY A 96 -7.262 4.115 10.311 1.00 0.40 H new ATOM 0 HA3 GLY A 96 -6.998 5.238 8.992 1.00 0.40 H new ATOM 1572 N LEU A 97 -9.321 3.966 7.758 1.00 0.37 N ATOM 1573 CA LEU A 97 -10.765 3.937 7.400 1.00 0.40 C ATOM 1574 C LEU A 97 -11.316 2.532 7.672 1.00 0.27 C ATOM 1575 O LEU A 97 -12.480 2.359 7.976 1.00 0.27 O ATOM 1576 CB LEU A 97 -10.921 4.268 5.915 1.00 0.51 C ATOM 1577 CG LEU A 97 -12.376 4.628 5.619 1.00 0.66 C ATOM 1578 CD1 LEU A 97 -12.535 6.149 5.614 1.00 1.39 C ATOM 1579 CD2 LEU A 97 -12.763 4.071 4.248 1.00 0.48 C ATOM 0 H LEU A 97 -8.684 3.714 7.002 1.00 0.37 H new ATOM 0 HA LEU A 97 -11.312 4.668 7.995 1.00 0.40 H new ATOM 0 HB2 LEU A 97 -10.269 5.099 5.647 1.00 0.51 H new ATOM 0 HB3 LEU A 97 -10.616 3.415 5.308 1.00 0.51 H new ATOM 0 HG LEU A 97 -13.022 4.199 6.385 1.00 0.66 H new ATOM 0 HD11 LEU A 97 -13.573 6.406 5.403 1.00 1.39 H new ATOM 0 HD12 LEU A 97 -12.254 6.547 6.589 1.00 1.39 H new ATOM 0 HD13 LEU A 97 -11.892 6.580 4.847 1.00 1.39 H new ATOM 0 HD21 LEU A 97 -13.801 4.325 4.032 1.00 0.48 H new ATOM 0 HD22 LEU A 97 -12.117 4.503 3.484 1.00 0.48 H new ATOM 0 HD23 LEU A 97 -12.648 2.987 4.250 1.00 0.48 H new ATOM 1591 N ALA A 98 -10.481 1.530 7.559 1.00 0.18 N ATOM 1592 CA ALA A 98 -10.931 0.129 7.805 1.00 0.10 C ATOM 1593 C ALA A 98 -11.649 0.040 9.153 1.00 0.26 C ATOM 1594 O ALA A 98 -12.748 -0.466 9.251 1.00 0.34 O ATOM 1595 CB ALA A 98 -9.706 -0.790 7.817 1.00 0.13 C ATOM 0 H ALA A 98 -9.498 1.625 7.304 1.00 0.18 H new ATOM 0 HA ALA A 98 -11.619 -0.177 7.017 1.00 0.10 H new ATOM 0 HB1 ALA A 98 -10.024 -1.817 7.996 1.00 0.13 H new ATOM 0 HB2 ALA A 98 -9.197 -0.730 6.855 1.00 0.13 H new ATOM 0 HB3 ALA A 98 -9.025 -0.478 8.608 1.00 0.13 H new ATOM 1601 N GLY A 99 -11.033 0.528 10.192 1.00 0.43 N ATOM 1602 CA GLY A 99 -11.678 0.473 11.535 1.00 0.63 C ATOM 1603 C GLY A 99 -11.215 -0.782 12.279 1.00 0.52 C ATOM 1604 O GLY A 99 -11.933 -1.333 13.089 1.00 0.74 O ATOM 0 H GLY A 99 -10.111 0.963 10.171 1.00 0.43 H new ATOM 0 HA2 GLY A 99 -11.421 1.363 12.109 1.00 0.63 H new ATOM 0 HA3 GLY A 99 -12.763 0.465 11.428 1.00 0.63 H new ATOM 1608 N LEU A 100 -10.023 -1.241 12.010 1.00 0.34 N ATOM 1609 CA LEU A 100 -9.520 -2.461 12.703 1.00 0.19 C ATOM 1610 C LEU A 100 -8.174 -2.158 13.365 1.00 0.44 C ATOM 1611 O LEU A 100 -7.243 -1.717 12.725 1.00 0.95 O ATOM 1612 CB LEU A 100 -9.338 -3.589 11.687 1.00 0.51 C ATOM 1613 CG LEU A 100 -10.432 -4.638 11.887 1.00 0.83 C ATOM 1614 CD1 LEU A 100 -11.631 -4.303 10.999 1.00 1.38 C ATOM 1615 CD2 LEU A 100 -9.888 -6.019 11.509 1.00 1.56 C ATOM 0 H LEU A 100 -9.376 -0.824 11.341 1.00 0.34 H new ATOM 0 HA LEU A 100 -10.241 -2.765 13.462 1.00 0.19 H new ATOM 0 HB2 LEU A 100 -9.383 -3.190 10.673 1.00 0.51 H new ATOM 0 HB3 LEU A 100 -8.356 -4.046 11.807 1.00 0.51 H new ATOM 0 HG LEU A 100 -10.744 -4.642 12.931 1.00 0.83 H new ATOM 0 HD11 LEU A 100 -12.410 -5.051 11.142 1.00 1.38 H new ATOM 0 HD12 LEU A 100 -12.018 -3.320 11.266 1.00 1.38 H new ATOM 0 HD13 LEU A 100 -11.320 -4.298 9.954 1.00 1.38 H new ATOM 0 HD21 LEU A 100 -10.667 -6.768 11.651 1.00 1.56 H new ATOM 0 HD22 LEU A 100 -9.576 -6.014 10.465 1.00 1.56 H new ATOM 0 HD23 LEU A 100 -9.034 -6.259 12.142 1.00 1.56 H new ATOM 1627 N ASN A 101 -8.064 -2.396 14.643 1.00 0.75 N ATOM 1628 CA ASN A 101 -6.778 -2.123 15.342 1.00 1.15 C ATOM 1629 C ASN A 101 -5.757 -3.201 14.971 1.00 1.18 C ATOM 1630 O ASN A 101 -4.752 -2.929 14.344 1.00 1.72 O ATOM 1631 CB ASN A 101 -7.008 -2.139 16.855 1.00 1.47 C ATOM 1632 CG ASN A 101 -5.672 -2.335 17.574 1.00 2.26 C ATOM 1633 OD1 ASN A 101 -4.890 -1.412 17.690 1.00 3.61 O ATOM 1634 ND2 ASN A 101 -5.375 -3.506 18.066 1.00 2.03 N ATOM 0 H ASN A 101 -8.809 -2.767 15.233 1.00 0.75 H new ATOM 0 HA ASN A 101 -6.401 -1.146 15.041 1.00 1.15 H new ATOM 0 HB2 ASN A 101 -7.470 -1.204 17.173 1.00 1.47 H new ATOM 0 HB3 ASN A 101 -7.697 -2.941 17.120 1.00 1.47 H new ATOM 0 HD21 ASN A 101 -4.487 -3.646 18.548 1.00 2.03 H new ATOM 0 HD22 ASN A 101 -6.031 -4.281 17.969 1.00 2.03 H new ATOM 1641 N SER A 102 -6.004 -4.423 15.358 1.00 0.66 N ATOM 1642 CA SER A 102 -5.046 -5.515 15.032 1.00 0.74 C ATOM 1643 C SER A 102 -5.405 -6.131 13.677 1.00 0.64 C ATOM 1644 O SER A 102 -6.538 -6.085 13.241 1.00 0.72 O ATOM 1645 CB SER A 102 -5.119 -6.592 16.114 1.00 0.76 C ATOM 1646 OG SER A 102 -3.832 -7.170 16.288 1.00 1.33 O ATOM 0 H SER A 102 -6.828 -4.711 15.886 1.00 0.66 H new ATOM 0 HA SER A 102 -4.036 -5.108 14.986 1.00 0.74 H new ATOM 0 HB2 SER A 102 -5.466 -6.159 17.052 1.00 0.76 H new ATOM 0 HB3 SER A 102 -5.840 -7.359 15.832 1.00 0.76 H new ATOM 0 HG SER A 102 -3.875 -7.860 16.983 1.00 1.33 H new ATOM 1652 N CYS A 103 -4.443 -6.714 13.014 1.00 0.55 N ATOM 1653 CA CYS A 103 -4.715 -7.345 11.693 1.00 0.45 C ATOM 1654 C CYS A 103 -3.742 -8.512 11.497 1.00 0.26 C ATOM 1655 O CYS A 103 -2.789 -8.407 10.751 1.00 0.15 O ATOM 1656 CB CYS A 103 -4.511 -6.314 10.578 1.00 0.65 C ATOM 1657 SG CYS A 103 -5.949 -5.211 10.496 1.00 0.96 S ATOM 0 H CYS A 103 -3.476 -6.780 13.333 1.00 0.55 H new ATOM 0 HA CYS A 103 -5.743 -7.707 11.659 1.00 0.45 H new ATOM 0 HB2 CYS A 103 -3.607 -5.735 10.766 1.00 0.65 H new ATOM 0 HB3 CYS A 103 -4.373 -6.820 9.622 1.00 0.65 H new ATOM 1662 N PRO A 104 -4.008 -9.583 12.198 1.00 0.39 N ATOM 1663 CA PRO A 104 -3.168 -10.795 12.148 1.00 0.47 C ATOM 1664 C PRO A 104 -3.078 -11.345 10.721 1.00 0.54 C ATOM 1665 O PRO A 104 -3.851 -12.192 10.321 1.00 0.74 O ATOM 1666 CB PRO A 104 -3.871 -11.797 13.075 1.00 0.74 C ATOM 1667 CG PRO A 104 -5.121 -11.097 13.666 1.00 0.80 C ATOM 1668 CD PRO A 104 -5.175 -9.673 13.091 1.00 0.61 C ATOM 0 HA PRO A 104 -2.143 -10.594 12.459 1.00 0.47 H new ATOM 0 HB2 PRO A 104 -4.159 -12.691 12.523 1.00 0.74 H new ATOM 0 HB3 PRO A 104 -3.199 -12.117 13.872 1.00 0.74 H new ATOM 0 HG2 PRO A 104 -6.025 -11.648 13.408 1.00 0.80 H new ATOM 0 HG3 PRO A 104 -5.064 -11.068 14.754 1.00 0.80 H new ATOM 0 HD2 PRO A 104 -6.104 -9.501 12.547 1.00 0.61 H new ATOM 0 HD3 PRO A 104 -5.126 -8.925 13.882 1.00 0.61 H new ATOM 1676 N VAL A 105 -2.128 -10.879 9.956 1.00 0.44 N ATOM 1677 CA VAL A 105 -1.979 -11.383 8.560 1.00 0.62 C ATOM 1678 C VAL A 105 -1.285 -12.749 8.591 1.00 0.73 C ATOM 1679 O VAL A 105 -0.090 -12.842 8.791 1.00 0.65 O ATOM 1680 CB VAL A 105 -1.132 -10.401 7.743 1.00 0.58 C ATOM 1681 CG1 VAL A 105 0.176 -10.110 8.482 1.00 0.98 C ATOM 1682 CG2 VAL A 105 -0.814 -11.012 6.376 1.00 1.53 C ATOM 0 H VAL A 105 -1.449 -10.172 10.237 1.00 0.44 H new ATOM 0 HA VAL A 105 -2.963 -11.478 8.100 1.00 0.62 H new ATOM 0 HB VAL A 105 -1.689 -9.473 7.609 1.00 0.58 H new ATOM 0 HG11 VAL A 105 0.776 -9.412 7.899 1.00 0.98 H new ATOM 0 HG12 VAL A 105 -0.046 -9.673 9.456 1.00 0.98 H new ATOM 0 HG13 VAL A 105 0.731 -11.038 8.619 1.00 0.98 H new ATOM 0 HG21 VAL A 105 -0.212 -10.313 5.796 1.00 1.53 H new ATOM 0 HG22 VAL A 105 -0.261 -11.941 6.513 1.00 1.53 H new ATOM 0 HG23 VAL A 105 -1.743 -11.218 5.845 1.00 1.53 H new ATOM 1692 N LYS A 106 -2.023 -13.810 8.403 1.00 0.93 N ATOM 1693 CA LYS A 106 -1.397 -15.166 8.429 1.00 1.05 C ATOM 1694 C LYS A 106 -2.008 -16.046 7.335 1.00 1.38 C ATOM 1695 O LYS A 106 -2.714 -16.996 7.613 1.00 2.48 O ATOM 1696 CB LYS A 106 -1.640 -15.813 9.796 1.00 1.26 C ATOM 1697 CG LYS A 106 -0.895 -17.148 9.869 1.00 1.87 C ATOM 1698 CD LYS A 106 0.260 -17.036 10.866 1.00 1.35 C ATOM 1699 CE LYS A 106 0.455 -18.376 11.576 1.00 2.17 C ATOM 1700 NZ LYS A 106 1.892 -18.542 11.934 1.00 2.55 N ATOM 0 H LYS A 106 -3.029 -13.798 8.233 1.00 0.93 H new ATOM 0 HA LYS A 106 -0.326 -15.068 8.253 1.00 1.05 H new ATOM 0 HB2 LYS A 106 -1.298 -15.150 10.590 1.00 1.26 H new ATOM 0 HB3 LYS A 106 -2.707 -15.971 9.951 1.00 1.26 H new ATOM 0 HG2 LYS A 106 -1.578 -17.941 10.175 1.00 1.87 H new ATOM 0 HG3 LYS A 106 -0.514 -17.418 8.884 1.00 1.87 H new ATOM 0 HD2 LYS A 106 1.175 -16.751 10.347 1.00 1.35 H new ATOM 0 HD3 LYS A 106 0.050 -16.254 11.595 1.00 1.35 H new ATOM 0 HE2 LYS A 106 -0.162 -18.418 12.474 1.00 2.17 H new ATOM 0 HE3 LYS A 106 0.133 -19.193 10.930 1.00 2.17 H new ATOM 0 HZ1 LYS A 106 2.026 -19.453 12.417 1.00 2.55 H new ATOM 0 HZ2 LYS A 106 2.470 -18.520 11.070 1.00 2.55 H new ATOM 0 HZ3 LYS A 106 2.184 -17.769 12.565 1.00 2.55 H new ATOM 1714 N GLU A 107 -1.738 -15.746 6.092 1.00 0.53 N ATOM 1715 CA GLU A 107 -2.297 -16.576 4.985 1.00 0.88 C ATOM 1716 C GLU A 107 -1.626 -16.187 3.669 1.00 0.79 C ATOM 1717 O GLU A 107 -2.276 -15.850 2.700 1.00 1.21 O ATOM 1718 CB GLU A 107 -3.808 -16.353 4.878 1.00 1.16 C ATOM 1719 CG GLU A 107 -4.090 -14.893 4.517 1.00 1.52 C ATOM 1720 CD GLU A 107 -5.211 -14.355 5.408 1.00 2.38 C ATOM 1721 OE1 GLU A 107 -6.273 -14.955 5.417 1.00 2.55 O ATOM 1722 OE2 GLU A 107 -4.988 -13.351 6.064 1.00 3.22 O ATOM 0 H GLU A 107 -1.155 -14.963 5.796 1.00 0.53 H new ATOM 0 HA GLU A 107 -2.107 -17.629 5.194 1.00 0.88 H new ATOM 0 HB2 GLU A 107 -4.230 -17.013 4.120 1.00 1.16 H new ATOM 0 HB3 GLU A 107 -4.290 -16.604 5.823 1.00 1.16 H new ATOM 0 HG2 GLU A 107 -3.188 -14.294 4.647 1.00 1.52 H new ATOM 0 HG3 GLU A 107 -4.376 -14.815 3.468 1.00 1.52 H new ATOM 1729 N ALA A 108 -0.327 -16.233 3.633 1.00 0.42 N ATOM 1730 CA ALA A 108 0.403 -15.874 2.394 1.00 0.28 C ATOM 1731 C ALA A 108 1.894 -16.161 2.578 1.00 0.25 C ATOM 1732 O ALA A 108 2.473 -15.905 3.614 1.00 0.54 O ATOM 1733 CB ALA A 108 0.202 -14.389 2.091 1.00 0.46 C ATOM 0 H ALA A 108 0.264 -16.507 4.418 1.00 0.42 H new ATOM 0 HA ALA A 108 0.019 -16.467 1.564 1.00 0.28 H new ATOM 0 HB1 ALA A 108 0.740 -14.128 1.180 1.00 0.46 H new ATOM 0 HB2 ALA A 108 -0.860 -14.186 1.957 1.00 0.46 H new ATOM 0 HB3 ALA A 108 0.583 -13.794 2.921 1.00 0.46 H new ATOM 1739 N ASP A 109 2.510 -16.690 1.556 1.00 0.20 N ATOM 1740 CA ASP A 109 3.962 -16.999 1.626 1.00 0.41 C ATOM 1741 C ASP A 109 4.757 -15.764 1.201 1.00 0.34 C ATOM 1742 O ASP A 109 4.198 -14.749 0.838 1.00 0.51 O ATOM 1743 CB ASP A 109 4.284 -18.164 0.687 1.00 0.62 C ATOM 1744 CG ASP A 109 3.715 -19.461 1.269 1.00 0.83 C ATOM 1745 OD1 ASP A 109 4.350 -20.023 2.146 1.00 1.39 O ATOM 1746 OD2 ASP A 109 2.653 -19.869 0.829 1.00 1.08 O ATOM 0 H ASP A 109 2.063 -16.922 0.669 1.00 0.20 H new ATOM 0 HA ASP A 109 4.230 -17.275 2.646 1.00 0.41 H new ATOM 0 HB2 ASP A 109 3.859 -17.978 -0.299 1.00 0.62 H new ATOM 0 HB3 ASP A 109 5.363 -18.253 0.558 1.00 0.62 H new ATOM 1751 N GLN A 110 6.058 -15.835 1.257 1.00 0.93 N ATOM 1752 CA GLN A 110 6.884 -14.657 0.870 1.00 0.88 C ATOM 1753 C GLN A 110 6.794 -14.424 -0.638 1.00 0.87 C ATOM 1754 O GLN A 110 7.585 -14.936 -1.405 1.00 1.04 O ATOM 1755 CB GLN A 110 8.344 -14.901 1.259 1.00 1.06 C ATOM 1756 CG GLN A 110 8.876 -13.680 2.009 1.00 1.61 C ATOM 1757 CD GLN A 110 8.839 -13.951 3.514 1.00 2.00 C ATOM 1758 OE1 GLN A 110 9.693 -14.635 4.040 1.00 2.04 O ATOM 1759 NE2 GLN A 110 7.877 -13.442 4.233 1.00 2.70 N ATOM 0 H GLN A 110 6.585 -16.657 1.554 1.00 0.93 H new ATOM 0 HA GLN A 110 6.508 -13.777 1.392 1.00 0.88 H new ATOM 0 HB2 GLN A 110 8.422 -15.790 1.885 1.00 1.06 H new ATOM 0 HB3 GLN A 110 8.944 -15.085 0.368 1.00 1.06 H new ATOM 0 HG2 GLN A 110 9.896 -13.461 1.693 1.00 1.61 H new ATOM 0 HG3 GLN A 110 8.274 -12.803 1.772 1.00 1.61 H new ATOM 0 HE21 GLN A 110 7.159 -12.867 3.791 1.00 2.70 H new ATOM 0 HE22 GLN A 110 7.842 -13.619 5.237 1.00 2.70 H new ATOM 1768 N SER A 111 5.848 -13.638 -1.068 1.00 0.72 N ATOM 1769 CA SER A 111 5.723 -13.353 -2.519 1.00 0.77 C ATOM 1770 C SER A 111 6.667 -12.205 -2.866 1.00 0.79 C ATOM 1771 O SER A 111 7.572 -11.891 -2.121 1.00 1.24 O ATOM 1772 CB SER A 111 4.284 -12.949 -2.841 1.00 0.67 C ATOM 1773 OG SER A 111 4.143 -11.544 -2.682 1.00 1.02 O ATOM 0 H SER A 111 5.156 -13.181 -0.474 1.00 0.72 H new ATOM 0 HA SER A 111 5.979 -14.239 -3.099 1.00 0.77 H new ATOM 0 HB2 SER A 111 4.033 -13.238 -3.862 1.00 0.67 H new ATOM 0 HB3 SER A 111 3.591 -13.472 -2.182 1.00 0.67 H new ATOM 0 HG SER A 111 3.580 -11.188 -3.401 1.00 1.02 H new ATOM 1779 N THR A 112 6.467 -11.576 -3.985 1.00 0.52 N ATOM 1780 CA THR A 112 7.359 -10.446 -4.366 1.00 0.49 C ATOM 1781 C THR A 112 6.560 -9.139 -4.362 1.00 0.39 C ATOM 1782 O THR A 112 5.380 -9.122 -4.646 1.00 0.50 O ATOM 1783 CB THR A 112 7.938 -10.705 -5.757 1.00 0.54 C ATOM 1784 OG1 THR A 112 6.883 -10.754 -6.706 1.00 0.51 O ATOM 1785 CG2 THR A 112 8.685 -12.040 -5.748 1.00 0.65 C ATOM 0 H THR A 112 5.727 -11.792 -4.653 1.00 0.52 H new ATOM 0 HA THR A 112 8.176 -10.363 -3.649 1.00 0.49 H new ATOM 0 HB THR A 112 8.626 -9.904 -6.026 1.00 0.54 H new ATOM 0 HG1 THR A 112 6.028 -10.600 -6.253 1.00 0.51 H new ATOM 0 HG21 THR A 112 9.101 -12.231 -6.737 1.00 0.65 H new ATOM 0 HG22 THR A 112 9.492 -12.000 -5.017 1.00 0.65 H new ATOM 0 HG23 THR A 112 7.995 -12.841 -5.483 1.00 0.65 H new ATOM 1793 N LEU A 113 7.194 -8.047 -4.028 1.00 0.20 N ATOM 1794 CA LEU A 113 6.470 -6.743 -3.991 1.00 0.12 C ATOM 1795 C LEU A 113 6.134 -6.263 -5.410 1.00 0.22 C ATOM 1796 O LEU A 113 5.384 -5.324 -5.586 1.00 0.34 O ATOM 1797 CB LEU A 113 7.350 -5.698 -3.302 1.00 0.12 C ATOM 1798 CG LEU A 113 6.482 -4.802 -2.419 1.00 0.51 C ATOM 1799 CD1 LEU A 113 7.267 -4.408 -1.167 1.00 1.35 C ATOM 1800 CD2 LEU A 113 6.093 -3.544 -3.199 1.00 0.84 C ATOM 0 H LEU A 113 8.182 -8.001 -3.779 1.00 0.20 H new ATOM 0 HA LEU A 113 5.540 -6.877 -3.439 1.00 0.12 H new ATOM 0 HB2 LEU A 113 8.113 -6.190 -2.700 1.00 0.12 H new ATOM 0 HB3 LEU A 113 7.871 -5.097 -4.048 1.00 0.12 H new ATOM 0 HG LEU A 113 5.580 -5.340 -2.126 1.00 0.51 H new ATOM 0 HD11 LEU A 113 6.649 -3.769 -0.536 1.00 1.35 H new ATOM 0 HD12 LEU A 113 7.544 -5.305 -0.614 1.00 1.35 H new ATOM 0 HD13 LEU A 113 8.168 -3.868 -1.458 1.00 1.35 H new ATOM 0 HD21 LEU A 113 5.474 -2.903 -2.571 1.00 0.84 H new ATOM 0 HD22 LEU A 113 6.994 -3.004 -3.491 1.00 0.84 H new ATOM 0 HD23 LEU A 113 5.534 -3.827 -4.091 1.00 0.84 H new ATOM 1812 N GLU A 114 6.675 -6.883 -6.424 1.00 0.28 N ATOM 1813 CA GLU A 114 6.363 -6.431 -7.809 1.00 0.37 C ATOM 1814 C GLU A 114 4.885 -6.687 -8.107 1.00 0.26 C ATOM 1815 O GLU A 114 4.115 -5.770 -8.317 1.00 0.32 O ATOM 1816 CB GLU A 114 7.230 -7.201 -8.808 1.00 0.49 C ATOM 1817 CG GLU A 114 8.564 -6.473 -8.989 1.00 1.03 C ATOM 1818 CD GLU A 114 9.699 -7.496 -9.067 1.00 2.04 C ATOM 1819 OE1 GLU A 114 9.776 -8.334 -8.184 1.00 2.93 O ATOM 1820 OE2 GLU A 114 10.473 -7.421 -10.007 1.00 2.19 O ATOM 0 H GLU A 114 7.313 -7.675 -6.354 1.00 0.28 H new ATOM 0 HA GLU A 114 6.572 -5.365 -7.899 1.00 0.37 H new ATOM 0 HB2 GLU A 114 7.403 -8.216 -8.450 1.00 0.49 H new ATOM 0 HB3 GLU A 114 6.715 -7.284 -9.765 1.00 0.49 H new ATOM 0 HG2 GLU A 114 8.541 -5.870 -9.897 1.00 1.03 H new ATOM 0 HG3 GLU A 114 8.733 -5.790 -8.157 1.00 1.03 H new ATOM 1827 N ASN A 115 4.484 -7.925 -8.129 1.00 0.19 N ATOM 1828 CA ASN A 115 3.057 -8.244 -8.416 1.00 0.16 C ATOM 1829 C ASN A 115 2.156 -7.747 -7.278 1.00 0.18 C ATOM 1830 O ASN A 115 0.958 -7.633 -7.438 1.00 0.13 O ATOM 1831 CB ASN A 115 2.894 -9.757 -8.569 1.00 0.22 C ATOM 1832 CG ASN A 115 2.925 -10.415 -7.189 1.00 1.82 C ATOM 1833 OD1 ASN A 115 3.971 -10.525 -6.579 1.00 2.89 O ATOM 1834 ND2 ASN A 115 1.815 -10.861 -6.668 1.00 2.75 N ATOM 0 H ASN A 115 5.083 -8.733 -7.960 1.00 0.19 H new ATOM 0 HA ASN A 115 2.765 -7.744 -9.340 1.00 0.16 H new ATOM 0 HB2 ASN A 115 1.953 -9.983 -9.071 1.00 0.22 H new ATOM 0 HB3 ASN A 115 3.692 -10.158 -9.193 1.00 0.22 H new ATOM 0 HD21 ASN A 115 1.824 -11.302 -5.748 1.00 2.75 H new ATOM 0 HD22 ASN A 115 0.938 -10.768 -7.180 1.00 2.75 H new ATOM 1841 N PHE A 116 2.709 -7.450 -6.130 1.00 0.25 N ATOM 1842 CA PHE A 116 1.859 -6.961 -5.005 1.00 0.28 C ATOM 1843 C PHE A 116 1.371 -5.546 -5.319 1.00 0.30 C ATOM 1844 O PHE A 116 0.186 -5.299 -5.453 1.00 0.34 O ATOM 1845 CB PHE A 116 2.685 -6.941 -3.715 1.00 0.33 C ATOM 1846 CG PHE A 116 1.944 -6.173 -2.644 1.00 0.35 C ATOM 1847 CD1 PHE A 116 0.853 -6.757 -1.989 1.00 0.32 C ATOM 1848 CD2 PHE A 116 2.353 -4.878 -2.302 1.00 0.41 C ATOM 1849 CE1 PHE A 116 0.172 -6.047 -0.992 1.00 0.34 C ATOM 1850 CE2 PHE A 116 1.672 -4.168 -1.306 1.00 0.43 C ATOM 1851 CZ PHE A 116 0.583 -4.752 -0.651 1.00 0.39 C ATOM 0 H PHE A 116 3.705 -7.524 -5.924 1.00 0.25 H new ATOM 0 HA PHE A 116 1.003 -7.623 -4.878 1.00 0.28 H new ATOM 0 HB2 PHE A 116 2.876 -7.960 -3.379 1.00 0.33 H new ATOM 0 HB3 PHE A 116 3.655 -6.480 -3.901 1.00 0.33 H new ATOM 0 HD1 PHE A 116 0.536 -7.755 -2.253 1.00 0.32 H new ATOM 0 HD2 PHE A 116 3.194 -4.427 -2.807 1.00 0.41 H new ATOM 0 HE1 PHE A 116 -0.669 -6.498 -0.487 1.00 0.34 H new ATOM 0 HE2 PHE A 116 1.988 -3.169 -1.043 1.00 0.43 H new ATOM 0 HZ PHE A 116 0.059 -4.204 0.118 1.00 0.39 H new ATOM 1861 N LEU A 117 2.276 -4.614 -5.443 1.00 0.32 N ATOM 1862 CA LEU A 117 1.869 -3.215 -5.749 1.00 0.34 C ATOM 1863 C LEU A 117 1.092 -3.185 -7.064 1.00 0.42 C ATOM 1864 O LEU A 117 0.210 -2.374 -7.253 1.00 0.44 O ATOM 1865 CB LEU A 117 3.113 -2.335 -5.869 1.00 0.38 C ATOM 1866 CG LEU A 117 3.381 -1.653 -4.528 1.00 0.59 C ATOM 1867 CD1 LEU A 117 4.707 -0.896 -4.595 1.00 1.44 C ATOM 1868 CD2 LEU A 117 2.248 -0.671 -4.221 1.00 0.76 C ATOM 0 H LEU A 117 3.280 -4.762 -5.345 1.00 0.32 H new ATOM 0 HA LEU A 117 1.236 -2.838 -4.946 1.00 0.34 H new ATOM 0 HB2 LEU A 117 3.972 -2.938 -6.161 1.00 0.38 H new ATOM 0 HB3 LEU A 117 2.969 -1.587 -6.648 1.00 0.38 H new ATOM 0 HG LEU A 117 3.433 -2.406 -3.742 1.00 0.59 H new ATOM 0 HD11 LEU A 117 4.897 -0.410 -3.638 1.00 1.44 H new ATOM 0 HD12 LEU A 117 5.514 -1.595 -4.814 1.00 1.44 H new ATOM 0 HD13 LEU A 117 4.656 -0.142 -5.381 1.00 1.44 H new ATOM 0 HD21 LEU A 117 2.438 -0.184 -3.265 1.00 0.76 H new ATOM 0 HD22 LEU A 117 2.196 0.082 -5.008 1.00 0.76 H new ATOM 0 HD23 LEU A 117 1.302 -1.211 -4.172 1.00 0.76 H new ATOM 1880 N GLU A 118 1.408 -4.064 -7.975 1.00 0.46 N ATOM 1881 CA GLU A 118 0.675 -4.082 -9.271 1.00 0.54 C ATOM 1882 C GLU A 118 -0.806 -4.359 -9.001 1.00 0.55 C ATOM 1883 O GLU A 118 -1.678 -3.666 -9.484 1.00 0.59 O ATOM 1884 CB GLU A 118 1.252 -5.179 -10.169 1.00 0.56 C ATOM 1885 CG GLU A 118 0.195 -5.627 -11.181 1.00 0.29 C ATOM 1886 CD GLU A 118 0.879 -6.315 -12.364 1.00 0.76 C ATOM 1887 OE1 GLU A 118 1.287 -5.615 -13.276 1.00 1.14 O ATOM 1888 OE2 GLU A 118 0.984 -7.530 -12.337 1.00 1.65 O ATOM 0 H GLU A 118 2.140 -4.768 -7.878 1.00 0.46 H new ATOM 0 HA GLU A 118 0.782 -3.119 -9.771 1.00 0.54 H new ATOM 0 HB2 GLU A 118 2.135 -4.809 -10.690 1.00 0.56 H new ATOM 0 HB3 GLU A 118 1.572 -6.027 -9.564 1.00 0.56 H new ATOM 0 HG2 GLU A 118 -0.510 -6.310 -10.708 1.00 0.29 H new ATOM 0 HG3 GLU A 118 -0.378 -4.767 -11.529 1.00 0.29 H new ATOM 1895 N ARG A 119 -1.088 -5.362 -8.216 1.00 0.51 N ATOM 1896 CA ARG A 119 -2.507 -5.692 -7.890 1.00 0.53 C ATOM 1897 C ARG A 119 -3.115 -4.573 -7.041 1.00 0.55 C ATOM 1898 O ARG A 119 -4.316 -4.469 -6.920 1.00 0.57 O ATOM 1899 CB ARG A 119 -2.559 -7.003 -7.103 1.00 0.48 C ATOM 1900 CG ARG A 119 -2.318 -8.178 -8.049 1.00 0.41 C ATOM 1901 CD ARG A 119 -3.541 -8.363 -8.950 1.00 1.09 C ATOM 1902 NE ARG A 119 -3.139 -8.176 -10.374 1.00 2.18 N ATOM 1903 CZ ARG A 119 -3.934 -8.533 -11.356 1.00 2.73 C ATOM 1904 NH1 ARG A 119 -5.117 -9.048 -11.120 1.00 2.43 N ATOM 1905 NH2 ARG A 119 -3.541 -8.368 -12.590 1.00 3.74 N ATOM 0 H ARG A 119 -0.394 -5.971 -7.783 1.00 0.51 H new ATOM 0 HA ARG A 119 -3.072 -5.796 -8.816 1.00 0.53 H new ATOM 0 HB2 ARG A 119 -1.805 -6.996 -6.316 1.00 0.48 H new ATOM 0 HB3 ARG A 119 -3.528 -7.108 -6.616 1.00 0.48 H new ATOM 0 HG2 ARG A 119 -1.430 -7.996 -8.655 1.00 0.41 H new ATOM 0 HG3 ARG A 119 -2.132 -9.087 -7.477 1.00 0.41 H new ATOM 0 HD2 ARG A 119 -3.964 -9.357 -8.808 1.00 1.09 H new ATOM 0 HD3 ARG A 119 -4.316 -7.645 -8.682 1.00 1.09 H new ATOM 0 HE ARG A 119 -2.231 -7.764 -10.589 1.00 2.18 H new ATOM 0 HH11 ARG A 119 -5.434 -9.178 -10.159 1.00 2.43 H new ATOM 0 HH12 ARG A 119 -5.720 -9.319 -11.897 1.00 2.43 H new ATOM 0 HH21 ARG A 119 -2.624 -7.965 -12.784 1.00 3.74 H new ATOM 0 HH22 ARG A 119 -4.151 -8.642 -13.360 1.00 3.74 H new ATOM 1919 N LEU A 120 -2.306 -3.739 -6.444 1.00 0.55 N ATOM 1920 CA LEU A 120 -2.863 -2.638 -5.613 1.00 0.58 C ATOM 1921 C LEU A 120 -3.354 -1.516 -6.531 1.00 0.71 C ATOM 1922 O LEU A 120 -4.348 -0.876 -6.265 1.00 0.88 O ATOM 1923 CB LEU A 120 -1.777 -2.098 -4.683 1.00 0.45 C ATOM 1924 CG LEU A 120 -2.118 -2.459 -3.238 1.00 0.29 C ATOM 1925 CD1 LEU A 120 -0.854 -2.920 -2.517 1.00 0.57 C ATOM 1926 CD2 LEU A 120 -2.691 -1.231 -2.527 1.00 0.57 C ATOM 0 H LEU A 120 -1.288 -3.774 -6.497 1.00 0.55 H new ATOM 0 HA LEU A 120 -3.693 -3.014 -5.015 1.00 0.58 H new ATOM 0 HB2 LEU A 120 -0.809 -2.518 -4.955 1.00 0.45 H new ATOM 0 HB3 LEU A 120 -1.697 -1.016 -4.790 1.00 0.45 H new ATOM 0 HG LEU A 120 -2.855 -3.262 -3.228 1.00 0.29 H new ATOM 0 HD11 LEU A 120 -1.097 -3.178 -1.486 1.00 0.57 H new ATOM 0 HD12 LEU A 120 -0.445 -3.795 -3.023 1.00 0.57 H new ATOM 0 HD13 LEU A 120 -0.117 -2.117 -2.526 1.00 0.57 H new ATOM 0 HD21 LEU A 120 -2.934 -1.488 -1.496 1.00 0.57 H new ATOM 0 HD22 LEU A 120 -1.954 -0.428 -2.536 1.00 0.57 H new ATOM 0 HD23 LEU A 120 -3.594 -0.901 -3.041 1.00 0.57 H new ATOM 1938 N LYS A 121 -2.664 -1.279 -7.610 1.00 0.66 N ATOM 1939 CA LYS A 121 -3.086 -0.201 -8.552 1.00 0.80 C ATOM 1940 C LYS A 121 -4.285 -0.666 -9.372 1.00 0.95 C ATOM 1941 O LYS A 121 -5.092 0.126 -9.820 1.00 1.35 O ATOM 1942 CB LYS A 121 -1.942 0.106 -9.513 1.00 0.83 C ATOM 1943 CG LYS A 121 -1.990 1.583 -9.905 1.00 1.03 C ATOM 1944 CD LYS A 121 -1.436 1.756 -11.321 1.00 1.27 C ATOM 1945 CE LYS A 121 -2.437 1.201 -12.337 1.00 0.71 C ATOM 1946 NZ LYS A 121 -1.933 1.449 -13.716 1.00 1.06 N ATOM 0 H LYS A 121 -1.822 -1.786 -7.883 1.00 0.66 H new ATOM 0 HA LYS A 121 -3.351 0.686 -7.976 1.00 0.80 H new ATOM 0 HB2 LYS A 121 -0.986 -0.126 -9.044 1.00 0.83 H new ATOM 0 HB3 LYS A 121 -2.021 -0.520 -10.402 1.00 0.83 H new ATOM 0 HG2 LYS A 121 -3.016 1.949 -9.858 1.00 1.03 H new ATOM 0 HG3 LYS A 121 -1.407 2.176 -9.200 1.00 1.03 H new ATOM 0 HD2 LYS A 121 -1.246 2.810 -11.521 1.00 1.27 H new ATOM 0 HD3 LYS A 121 -0.482 1.237 -11.415 1.00 1.27 H new ATOM 0 HE2 LYS A 121 -2.579 0.132 -12.177 1.00 0.71 H new ATOM 0 HE3 LYS A 121 -3.409 1.676 -12.203 1.00 0.71 H new ATOM 0 HZ1 LYS A 121 -2.613 1.072 -14.407 1.00 1.06 H new ATOM 0 HZ2 LYS A 121 -1.819 2.472 -13.865 1.00 1.06 H new ATOM 0 HZ3 LYS A 121 -1.015 0.976 -13.840 1.00 1.06 H new ATOM 1960 N THR A 122 -4.393 -1.941 -9.594 1.00 0.64 N ATOM 1961 CA THR A 122 -5.521 -2.460 -10.415 1.00 0.78 C ATOM 1962 C THR A 122 -6.788 -2.584 -9.566 1.00 0.76 C ATOM 1963 O THR A 122 -7.876 -2.263 -10.003 1.00 0.81 O ATOM 1964 CB THR A 122 -5.147 -3.832 -10.985 1.00 0.87 C ATOM 1965 OG1 THR A 122 -3.794 -4.141 -10.678 1.00 1.06 O ATOM 1966 CG2 THR A 122 -5.318 -3.804 -12.498 1.00 0.85 C ATOM 0 H THR A 122 -3.749 -2.650 -9.243 1.00 0.64 H new ATOM 0 HA THR A 122 -5.714 -1.763 -11.230 1.00 0.78 H new ATOM 0 HB THR A 122 -5.795 -4.590 -10.544 1.00 0.87 H new ATOM 0 HG1 THR A 122 -3.568 -5.020 -11.046 1.00 1.06 H new ATOM 0 HG21 THR A 122 -5.054 -4.777 -12.912 1.00 0.85 H new ATOM 0 HG22 THR A 122 -6.355 -3.575 -12.743 1.00 0.85 H new ATOM 0 HG23 THR A 122 -4.668 -3.040 -12.924 1.00 0.85 H new ATOM 1974 N ILE A 123 -6.655 -3.060 -8.368 1.00 0.71 N ATOM 1975 CA ILE A 123 -7.844 -3.227 -7.484 1.00 0.71 C ATOM 1976 C ILE A 123 -8.343 -1.868 -6.993 1.00 0.63 C ATOM 1977 O ILE A 123 -9.514 -1.680 -6.743 1.00 0.61 O ATOM 1978 CB ILE A 123 -7.456 -4.077 -6.277 1.00 0.67 C ATOM 1979 CG1 ILE A 123 -6.968 -5.448 -6.751 1.00 0.93 C ATOM 1980 CG2 ILE A 123 -8.670 -4.256 -5.364 1.00 0.80 C ATOM 1981 CD1 ILE A 123 -8.166 -6.291 -7.193 1.00 1.05 C ATOM 0 H ILE A 123 -5.767 -3.345 -7.954 1.00 0.71 H new ATOM 0 HA ILE A 123 -8.637 -3.713 -8.052 1.00 0.71 H new ATOM 0 HB ILE A 123 -6.659 -3.578 -5.726 1.00 0.67 H new ATOM 0 HG12 ILE A 123 -6.267 -5.331 -7.578 1.00 0.93 H new ATOM 0 HG13 ILE A 123 -6.431 -5.953 -5.948 1.00 0.93 H new ATOM 0 HG21 ILE A 123 -8.391 -4.863 -4.503 1.00 0.80 H new ATOM 0 HG22 ILE A 123 -9.016 -3.280 -5.023 1.00 0.80 H new ATOM 0 HG23 ILE A 123 -9.469 -4.752 -5.914 1.00 0.80 H new ATOM 0 HD11 ILE A 123 -7.819 -7.268 -7.531 1.00 1.05 H new ATOM 0 HD12 ILE A 123 -8.850 -6.419 -6.354 1.00 1.05 H new ATOM 0 HD13 ILE A 123 -8.684 -5.788 -8.010 1.00 1.05 H new ATOM 1993 N MET A 124 -7.478 -0.917 -6.830 1.00 0.60 N ATOM 1994 CA MET A 124 -7.954 0.405 -6.340 1.00 0.54 C ATOM 1995 C MET A 124 -8.520 1.217 -7.504 1.00 0.86 C ATOM 1996 O MET A 124 -9.474 1.942 -7.357 1.00 1.06 O ATOM 1997 CB MET A 124 -6.806 1.171 -5.681 1.00 0.44 C ATOM 1998 CG MET A 124 -7.117 1.386 -4.198 1.00 0.80 C ATOM 1999 SD MET A 124 -5.721 0.823 -3.199 1.00 1.09 S ATOM 2000 CE MET A 124 -5.416 2.391 -2.349 1.00 0.72 C ATOM 0 H MET A 124 -6.477 -0.990 -7.010 1.00 0.60 H new ATOM 0 HA MET A 124 -8.738 0.244 -5.600 1.00 0.54 H new ATOM 0 HB2 MET A 124 -5.875 0.616 -5.791 1.00 0.44 H new ATOM 0 HB3 MET A 124 -6.665 2.132 -6.176 1.00 0.44 H new ATOM 0 HG2 MET A 124 -7.313 2.441 -4.006 1.00 0.80 H new ATOM 0 HG3 MET A 124 -8.019 0.839 -3.922 1.00 0.80 H new ATOM 0 HE1 MET A 124 -4.390 2.412 -1.982 1.00 0.72 H new ATOM 0 HE2 MET A 124 -5.570 3.217 -3.043 1.00 0.72 H new ATOM 0 HE3 MET A 124 -6.104 2.490 -1.509 1.00 0.72 H new ATOM 2010 N ARG A 125 -7.951 1.115 -8.663 1.00 0.92 N ATOM 2011 CA ARG A 125 -8.491 1.911 -9.798 1.00 1.20 C ATOM 2012 C ARG A 125 -9.882 1.406 -10.196 1.00 1.28 C ATOM 2013 O ARG A 125 -10.804 2.178 -10.371 1.00 1.50 O ATOM 2014 CB ARG A 125 -7.552 1.801 -11.001 1.00 1.15 C ATOM 2015 CG ARG A 125 -7.973 2.818 -12.064 1.00 1.18 C ATOM 2016 CD ARG A 125 -7.208 2.556 -13.361 1.00 1.71 C ATOM 2017 NE ARG A 125 -6.351 3.738 -13.674 1.00 2.32 N ATOM 2018 CZ ARG A 125 -5.398 3.667 -14.574 1.00 2.84 C ATOM 2019 NH1 ARG A 125 -5.178 2.563 -15.247 1.00 3.08 N ATOM 2020 NH2 ARG A 125 -4.660 4.717 -14.807 1.00 3.58 N ATOM 0 H ARG A 125 -7.147 0.525 -8.877 1.00 0.92 H new ATOM 0 HA ARG A 125 -8.568 2.952 -9.483 1.00 1.20 H new ATOM 0 HB2 ARG A 125 -6.523 1.985 -10.692 1.00 1.15 H new ATOM 0 HB3 ARG A 125 -7.586 0.792 -11.412 1.00 1.15 H new ATOM 0 HG2 ARG A 125 -9.046 2.748 -12.243 1.00 1.18 H new ATOM 0 HG3 ARG A 125 -7.774 3.830 -11.712 1.00 1.18 H new ATOM 0 HD2 ARG A 125 -6.592 1.662 -13.260 1.00 1.71 H new ATOM 0 HD3 ARG A 125 -7.906 2.371 -14.178 1.00 1.71 H new ATOM 0 HE ARG A 125 -6.509 4.616 -13.180 1.00 2.32 H new ATOM 0 HH11 ARG A 125 -5.753 1.738 -15.075 1.00 3.08 H new ATOM 0 HH12 ARG A 125 -4.432 2.529 -15.942 1.00 3.08 H new ATOM 0 HH21 ARG A 125 -4.826 5.582 -14.292 1.00 3.58 H new ATOM 0 HH22 ARG A 125 -3.917 4.673 -15.504 1.00 3.58 H new ATOM 2034 N GLU A 126 -10.030 0.126 -10.379 1.00 1.24 N ATOM 2035 CA GLU A 126 -11.348 -0.425 -10.814 1.00 1.43 C ATOM 2036 C GLU A 126 -12.237 -0.854 -9.634 1.00 1.13 C ATOM 2037 O GLU A 126 -13.445 -0.733 -9.691 1.00 1.05 O ATOM 2038 CB GLU A 126 -11.095 -1.647 -11.697 1.00 1.92 C ATOM 2039 CG GLU A 126 -11.913 -1.528 -12.983 1.00 2.58 C ATOM 2040 CD GLU A 126 -11.175 -2.235 -14.123 1.00 3.39 C ATOM 2041 OE1 GLU A 126 -9.962 -2.125 -14.174 1.00 3.90 O ATOM 2042 OE2 GLU A 126 -11.837 -2.875 -14.924 1.00 3.84 O ATOM 0 H GLU A 126 -9.294 -0.568 -10.246 1.00 1.24 H new ATOM 0 HA GLU A 126 -11.872 0.366 -11.350 1.00 1.43 H new ATOM 0 HB2 GLU A 126 -10.034 -1.723 -11.935 1.00 1.92 H new ATOM 0 HB3 GLU A 126 -11.368 -2.557 -11.163 1.00 1.92 H new ATOM 0 HG2 GLU A 126 -12.898 -1.972 -12.843 1.00 2.58 H new ATOM 0 HG3 GLU A 126 -12.069 -0.478 -13.232 1.00 2.58 H new ATOM 2049 N LYS A 127 -11.673 -1.423 -8.604 1.00 1.16 N ATOM 2050 CA LYS A 127 -12.530 -1.931 -7.483 1.00 1.23 C ATOM 2051 C LYS A 127 -12.773 -0.896 -6.368 1.00 1.29 C ATOM 2052 O LYS A 127 -13.630 -1.102 -5.532 1.00 1.72 O ATOM 2053 CB LYS A 127 -11.879 -3.184 -6.883 1.00 1.79 C ATOM 2054 CG LYS A 127 -12.684 -4.428 -7.270 1.00 2.25 C ATOM 2055 CD LYS A 127 -11.980 -5.143 -8.425 1.00 3.76 C ATOM 2056 CE LYS A 127 -12.483 -6.584 -8.524 1.00 4.17 C ATOM 2057 NZ LYS A 127 -11.916 -7.225 -9.743 1.00 5.64 N ATOM 0 H LYS A 127 -10.669 -1.559 -8.486 1.00 1.16 H new ATOM 0 HA LYS A 127 -13.507 -2.157 -7.911 1.00 1.23 H new ATOM 0 HB2 LYS A 127 -10.854 -3.278 -7.241 1.00 1.79 H new ATOM 0 HB3 LYS A 127 -11.831 -3.095 -5.798 1.00 1.79 H new ATOM 0 HG2 LYS A 127 -12.776 -5.097 -6.414 1.00 2.25 H new ATOM 0 HG3 LYS A 127 -13.695 -4.145 -7.564 1.00 2.25 H new ATOM 0 HD2 LYS A 127 -12.170 -4.617 -9.360 1.00 3.76 H new ATOM 0 HD3 LYS A 127 -10.902 -5.134 -8.267 1.00 3.76 H new ATOM 0 HE2 LYS A 127 -12.191 -7.144 -7.636 1.00 4.17 H new ATOM 0 HE3 LYS A 127 -13.572 -6.598 -8.566 1.00 4.17 H new ATOM 0 HZ1 LYS A 127 -12.258 -8.205 -9.811 1.00 5.64 H new ATOM 0 HZ2 LYS A 127 -12.216 -6.695 -10.586 1.00 5.64 H new ATOM 0 HZ3 LYS A 127 -10.878 -7.224 -9.685 1.00 5.64 H new ATOM 2071 N TYR A 128 -12.059 0.199 -6.306 1.00 1.12 N ATOM 2072 CA TYR A 128 -12.342 1.159 -5.191 1.00 1.53 C ATOM 2073 C TYR A 128 -13.569 2.030 -5.513 1.00 1.63 C ATOM 2074 O TYR A 128 -13.941 2.889 -4.739 1.00 2.16 O ATOM 2075 CB TYR A 128 -11.122 2.053 -4.932 1.00 1.45 C ATOM 2076 CG TYR A 128 -11.367 3.453 -5.459 1.00 1.21 C ATOM 2077 CD1 TYR A 128 -11.512 3.684 -6.836 1.00 2.42 C ATOM 2078 CD2 TYR A 128 -11.448 4.525 -4.561 1.00 1.99 C ATOM 2079 CE1 TYR A 128 -11.738 4.982 -7.309 1.00 3.83 C ATOM 2080 CE2 TYR A 128 -11.671 5.823 -5.036 1.00 3.49 C ATOM 2081 CZ TYR A 128 -11.816 6.052 -6.409 1.00 4.30 C ATOM 2082 OH TYR A 128 -12.038 7.331 -6.877 1.00 5.96 O ATOM 0 H TYR A 128 -11.317 0.466 -6.953 1.00 1.12 H new ATOM 0 HA TYR A 128 -12.555 0.578 -4.294 1.00 1.53 H new ATOM 0 HB2 TYR A 128 -10.913 2.092 -3.863 1.00 1.45 H new ATOM 0 HB3 TYR A 128 -10.242 1.626 -5.413 1.00 1.45 H new ATOM 0 HD1 TYR A 128 -11.449 2.860 -7.531 1.00 2.42 H new ATOM 0 HD2 TYR A 128 -11.338 4.350 -3.501 1.00 1.99 H new ATOM 0 HE1 TYR A 128 -11.852 5.158 -8.368 1.00 3.83 H new ATOM 0 HE2 TYR A 128 -11.731 6.648 -4.342 1.00 3.49 H new ATOM 0 HH TYR A 128 -12.066 7.955 -6.122 1.00 5.96 H new