USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 667 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 52 ASN : amide:sc= -8.38! C(o=-18!,f=-7.6!) USER MOD Set 1.2: B 16 SER OG : rot -171:sc= -9.31! USER MOD Set 2.1: A 46 MET CE :methyl 160:sc= -0.175 (180deg=-0.175) USER MOD Set 2.2: B 9 ASN : amide:sc= -0.742 K(o=-0.92,f=-2.5) USER MOD Set 3.1: A 22 GLN : amide:sc= -3.46 K(o=-3.5,f=-4.3!) USER MOD Set 3.2: A 23 MET CE :methyl -104:sc= -0.0299 (180deg=-1.41!) USER MOD Single : A 8 THR OG1 : rot -33:sc= 0.0333 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -168:sc= 0 (180deg=-0.0232) USER MOD Single : A 14 SER OG : rot -25:sc= 0.653 USER MOD Single : A 18 GLN : amide:sc= -0.32 K(o=-0.32,f=-1.3!) USER MOD Single : A 20 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.24) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.7!) USER MOD Single : A 35 MET CE :methyl 170:sc= -2.47 (180deg=-2.78) USER MOD Single : A 36 HIS : no HD1:sc= -7.02! C(o=-7!,f=-5.3!) USER MOD Single : A 38 THR OG1 : rot 150:sc= -1.56 USER MOD Single : A 42 LYS NZ :NH3+ -178:sc= 1.15 (180deg=1.11) USER MOD Single : A 44 THR OG1 : rot 77:sc= 0.609 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -172:sc= -8.15! (180deg=-8.35!) USER MOD Single : A 61 SER OG : rot -157:sc= -1.2 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -114:sc= 0.655 (180deg=-0.368) USER MOD Single : A 77 GLN : amide:sc= -2.65 K(o=-2.6,f=-2.1) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 5 LYS NZ :NH3+ -132:sc= -0.289 (180deg=-1.33!) USER MOD Single : B 7 SER OG : rot 59:sc= 0.762 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.242 -7.210 -12.363 1.00 0.00 N ATOM 95 CA THR A 8 -4.116 -6.069 -12.122 1.00 0.00 C ATOM 96 C THR A 8 -5.174 -5.950 -13.206 1.00 0.00 C ATOM 97 O THR A 8 -6.329 -5.642 -12.914 1.00 0.00 O ATOM 98 CB THR A 8 -3.290 -4.789 -12.055 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.670 -4.525 -13.306 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.208 -4.844 -10.997 1.00 0.00 C ATOM 0 HA THR A 8 -4.624 -6.223 -11.170 1.00 0.00 H new ATOM 0 HB THR A 8 -3.991 -3.995 -11.795 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.438 -5.372 -13.741 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.653 -3.906 -10.995 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.663 -4.998 -10.019 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.528 -5.668 -11.214 1.00 0.00 H new ATOM 108 N ALA A 9 -4.804 -6.228 -14.450 1.00 0.00 N ATOM 109 CA ALA A 9 -5.775 -6.179 -15.532 1.00 0.00 C ATOM 110 C ALA A 9 -6.897 -7.160 -15.221 1.00 0.00 C ATOM 111 O ALA A 9 -8.036 -6.762 -14.980 1.00 0.00 O ATOM 112 CB ALA A 9 -5.119 -6.503 -16.867 1.00 0.00 C ATOM 0 H ALA A 9 -3.857 -6.485 -14.730 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.184 -5.172 -15.612 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.866 -6.460 -17.660 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.331 -5.778 -17.071 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.689 -7.504 -16.828 1.00 0.00 H new ATOM 118 N SER A 10 -6.566 -8.447 -15.250 1.00 0.00 N ATOM 119 CA SER A 10 -7.540 -9.500 -14.991 1.00 0.00 C ATOM 120 C SER A 10 -8.210 -9.332 -13.629 1.00 0.00 C ATOM 121 O SER A 10 -9.325 -9.811 -13.425 1.00 0.00 O ATOM 122 CB SER A 10 -6.863 -10.868 -15.064 1.00 0.00 C ATOM 123 OG SER A 10 -7.669 -11.866 -14.464 1.00 0.00 O ATOM 0 H SER A 10 -5.625 -8.786 -15.451 1.00 0.00 H new ATOM 0 HA SER A 10 -8.313 -9.428 -15.757 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.671 -11.128 -16.105 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.896 -10.826 -14.563 1.00 0.00 H new ATOM 0 HG SER A 10 -7.216 -12.733 -14.524 1.00 0.00 H new ATOM 129 N MET A 11 -7.547 -8.653 -12.694 1.00 0.00 N ATOM 130 CA MET A 11 -8.131 -8.455 -11.372 1.00 0.00 C ATOM 131 C MET A 11 -9.409 -7.643 -11.491 1.00 0.00 C ATOM 132 O MET A 11 -10.442 -7.995 -10.922 1.00 0.00 O ATOM 133 CB MET A 11 -7.144 -7.737 -10.446 1.00 0.00 C ATOM 134 CG MET A 11 -6.531 -8.636 -9.384 1.00 0.00 C ATOM 135 SD MET A 11 -7.760 -9.326 -8.261 1.00 0.00 S ATOM 136 CE MET A 11 -7.102 -8.800 -6.679 1.00 0.00 C ATOM 0 H MET A 11 -6.624 -8.239 -12.824 1.00 0.00 H new ATOM 0 HA MET A 11 -8.360 -9.431 -10.944 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.345 -7.305 -11.048 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.657 -6.909 -9.956 1.00 0.00 H new ATOM 0 HG2 MET A 11 -5.992 -9.449 -9.870 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.800 -8.067 -8.810 1.00 0.00 H new ATOM 0 HE1 MET A 11 -7.623 -9.322 -5.876 1.00 0.00 H new ATOM 0 HE2 MET A 11 -6.038 -9.032 -6.632 1.00 0.00 H new ATOM 0 HE3 MET A 11 -7.244 -7.725 -6.565 1.00 0.00 H new ATOM 146 N LEU A 12 -9.330 -6.565 -12.247 1.00 0.00 N ATOM 147 CA LEU A 12 -10.481 -5.699 -12.463 1.00 0.00 C ATOM 148 C LEU A 12 -11.662 -6.505 -12.995 1.00 0.00 C ATOM 149 O LEU A 12 -12.740 -6.517 -12.400 1.00 0.00 O ATOM 150 CB LEU A 12 -10.119 -4.572 -13.439 1.00 0.00 C ATOM 151 CG LEU A 12 -10.655 -3.184 -13.068 1.00 0.00 C ATOM 152 CD1 LEU A 12 -12.099 -3.031 -13.515 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.537 -2.942 -11.573 1.00 0.00 C ATOM 0 H LEU A 12 -8.480 -6.265 -12.724 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.768 -5.256 -11.509 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.033 -4.515 -13.515 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.495 -4.836 -14.428 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.051 -2.439 -13.585 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.461 -2.040 -13.243 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.160 -3.155 -14.596 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.713 -3.788 -13.027 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.923 -1.951 -11.333 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.113 -3.696 -11.036 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.490 -3.005 -11.276 1.00 0.00 H new ATOM 165 N ALA A 13 -11.442 -7.194 -14.110 1.00 0.00 N ATOM 166 CA ALA A 13 -12.474 -8.026 -14.723 1.00 0.00 C ATOM 167 C ALA A 13 -12.758 -9.286 -13.898 1.00 0.00 C ATOM 168 O ALA A 13 -13.552 -10.133 -14.304 1.00 0.00 O ATOM 169 CB ALA A 13 -12.059 -8.407 -16.134 1.00 0.00 C ATOM 0 H ALA A 13 -10.553 -7.193 -14.611 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.394 -7.443 -14.757 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.833 -9.028 -16.586 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.924 -7.504 -16.730 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.122 -8.963 -16.100 1.00 0.00 H new ATOM 175 N SER A 14 -12.113 -9.398 -12.741 1.00 0.00 N ATOM 176 CA SER A 14 -12.309 -10.551 -11.866 1.00 0.00 C ATOM 177 C SER A 14 -13.329 -10.254 -10.762 1.00 0.00 C ATOM 178 O SER A 14 -13.600 -11.109 -9.918 1.00 0.00 O ATOM 179 CB SER A 14 -10.982 -10.986 -11.245 1.00 0.00 C ATOM 180 OG SER A 14 -11.140 -12.173 -10.490 1.00 0.00 O ATOM 0 H SER A 14 -11.452 -8.707 -12.387 1.00 0.00 H new ATOM 0 HA SER A 14 -12.700 -11.363 -12.479 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.244 -11.146 -12.031 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.598 -10.192 -10.605 1.00 0.00 H new ATOM 0 HG SER A 14 -12.072 -12.252 -10.196 1.00 0.00 H new ATOM 186 N ALA A 15 -13.911 -9.053 -10.781 1.00 0.00 N ATOM 187 CA ALA A 15 -14.912 -8.676 -9.788 1.00 0.00 C ATOM 188 C ALA A 15 -16.117 -8.007 -10.451 1.00 0.00 C ATOM 189 O ALA A 15 -15.981 -7.359 -11.489 1.00 0.00 O ATOM 190 CB ALA A 15 -14.302 -7.765 -8.738 1.00 0.00 C ATOM 0 H ALA A 15 -13.706 -8.330 -11.471 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.261 -9.584 -9.296 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.062 -7.494 -8.006 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.484 -8.283 -8.237 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.921 -6.863 -9.216 1.00 0.00 H new ATOM 196 N PRO A 16 -17.320 -8.181 -9.864 1.00 0.00 N ATOM 197 CA PRO A 16 -18.562 -7.617 -10.398 1.00 0.00 C ATOM 198 C PRO A 16 -18.413 -6.178 -10.899 1.00 0.00 C ATOM 199 O PRO A 16 -17.328 -5.596 -10.852 1.00 0.00 O ATOM 200 CB PRO A 16 -19.532 -7.657 -9.213 1.00 0.00 C ATOM 201 CG PRO A 16 -18.944 -8.587 -8.197 1.00 0.00 C ATOM 202 CD PRO A 16 -17.556 -8.973 -8.647 1.00 0.00 C ATOM 0 HA PRO A 16 -18.896 -8.184 -11.267 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.667 -6.661 -8.791 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.515 -8.005 -9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.905 -8.105 -7.220 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.568 -9.474 -8.090 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.815 -8.749 -7.880 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.490 -10.042 -8.852 1.00 0.00 H new ATOM 210 N PRO A 17 -19.513 -5.586 -11.397 1.00 0.00 N ATOM 211 CA PRO A 17 -19.513 -4.217 -11.926 1.00 0.00 C ATOM 212 C PRO A 17 -18.849 -3.198 -10.994 1.00 0.00 C ATOM 213 O PRO A 17 -17.713 -2.795 -11.233 1.00 0.00 O ATOM 214 CB PRO A 17 -21.002 -3.908 -12.112 1.00 0.00 C ATOM 215 CG PRO A 17 -21.637 -5.238 -12.324 1.00 0.00 C ATOM 216 CD PRO A 17 -20.846 -6.215 -11.497 1.00 0.00 C ATOM 0 HA PRO A 17 -18.930 -4.145 -12.844 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.415 -3.406 -11.237 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.167 -3.249 -12.965 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.683 -5.224 -12.016 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.618 -5.515 -13.378 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.294 -6.364 -10.514 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.793 -7.194 -11.974 1.00 0.00 H new ATOM 224 N GLN A 18 -19.558 -2.764 -9.953 1.00 0.00 N ATOM 225 CA GLN A 18 -19.015 -1.772 -9.024 1.00 0.00 C ATOM 226 C GLN A 18 -17.772 -2.282 -8.305 1.00 0.00 C ATOM 227 O GLN A 18 -17.030 -1.497 -7.716 1.00 0.00 O ATOM 228 CB GLN A 18 -20.066 -1.322 -7.999 1.00 0.00 C ATOM 229 CG GLN A 18 -21.048 -2.406 -7.585 1.00 0.00 C ATOM 230 CD GLN A 18 -22.433 -2.181 -8.163 1.00 0.00 C ATOM 231 OE1 GLN A 18 -22.861 -1.042 -8.353 1.00 0.00 O ATOM 232 NE2 GLN A 18 -23.142 -3.267 -8.445 1.00 0.00 N ATOM 0 H GLN A 18 -20.502 -3.080 -9.732 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.728 -0.911 -9.628 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.554 -0.955 -7.110 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -20.624 -0.483 -8.415 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -20.674 -3.376 -7.912 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -21.112 -2.439 -6.497 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -22.749 -4.192 -8.272 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -24.080 -3.177 -8.835 1.00 0.00 H new ATOM 241 N GLU A 19 -17.523 -3.585 -8.365 1.00 0.00 N ATOM 242 CA GLU A 19 -16.346 -4.144 -7.724 1.00 0.00 C ATOM 243 C GLU A 19 -15.147 -4.049 -8.659 1.00 0.00 C ATOM 244 O GLU A 19 -14.293 -4.933 -8.684 1.00 0.00 O ATOM 245 CB GLU A 19 -16.586 -5.598 -7.309 1.00 0.00 C ATOM 246 CG GLU A 19 -17.539 -5.733 -6.133 1.00 0.00 C ATOM 247 CD GLU A 19 -16.822 -5.746 -4.797 1.00 0.00 C ATOM 248 OE1 GLU A 19 -15.941 -6.609 -4.603 1.00 0.00 O ATOM 249 OE2 GLU A 19 -17.141 -4.891 -3.945 1.00 0.00 O ATOM 0 H GLU A 19 -18.114 -4.264 -8.845 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.139 -3.567 -6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.987 -6.151 -8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.632 -6.058 -7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.251 -4.908 -6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.115 -6.652 -6.241 1.00 0.00 H new ATOM 256 N GLN A 20 -15.060 -2.939 -9.385 1.00 0.00 N ATOM 257 CA GLN A 20 -13.927 -2.706 -10.269 1.00 0.00 C ATOM 258 C GLN A 20 -12.682 -2.446 -9.428 1.00 0.00 C ATOM 259 O GLN A 20 -11.908 -3.355 -9.129 1.00 0.00 O ATOM 260 CB GLN A 20 -14.169 -1.542 -11.254 1.00 0.00 C ATOM 261 CG GLN A 20 -15.416 -0.708 -10.983 1.00 0.00 C ATOM 262 CD GLN A 20 -15.714 0.268 -12.106 1.00 0.00 C ATOM 263 OE1 GLN A 20 -16.846 0.362 -12.580 1.00 0.00 O ATOM 264 NE2 GLN A 20 -14.694 1.001 -12.538 1.00 0.00 N ATOM 0 H GLN A 20 -15.755 -2.193 -9.378 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.789 -3.600 -10.878 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.300 -0.884 -11.234 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.237 -1.949 -12.263 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.270 -1.371 -10.845 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.286 -0.157 -10.051 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.772 0.891 -12.116 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.833 1.674 -13.291 1.00 0.00 H new ATOM 273 N LYS A 21 -12.519 -1.185 -9.040 1.00 0.00 N ATOM 274 CA LYS A 21 -11.392 -0.746 -8.216 1.00 0.00 C ATOM 275 C LYS A 21 -11.600 -1.091 -6.746 1.00 0.00 C ATOM 276 O LYS A 21 -10.945 -0.526 -5.870 1.00 0.00 O ATOM 277 CB LYS A 21 -11.203 0.753 -8.367 1.00 0.00 C ATOM 278 CG LYS A 21 -11.468 1.233 -9.778 1.00 0.00 C ATOM 279 CD LYS A 21 -10.179 1.575 -10.505 1.00 0.00 C ATOM 280 CE LYS A 21 -10.197 1.030 -11.921 1.00 0.00 C ATOM 281 NZ LYS A 21 -11.002 1.890 -12.834 1.00 0.00 N ATOM 0 H LYS A 21 -13.165 -0.435 -9.287 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.501 -1.271 -8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.871 1.271 -7.679 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.185 1.018 -8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.004 0.461 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.114 2.111 -9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.046 2.657 -10.529 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.329 1.161 -9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.176 0.958 -12.296 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.607 0.020 -11.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.991 1.485 -13.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.982 1.939 -12.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.596 2.847 -12.858 1.00 0.00 H new ATOM 295 N GLN A 22 -12.514 -2.009 -6.479 1.00 0.00 N ATOM 296 CA GLN A 22 -12.810 -2.411 -5.105 1.00 0.00 C ATOM 297 C GLN A 22 -11.619 -3.082 -4.440 1.00 0.00 C ATOM 298 O GLN A 22 -11.053 -2.549 -3.485 1.00 0.00 O ATOM 299 CB GLN A 22 -14.016 -3.345 -5.060 1.00 0.00 C ATOM 300 CG GLN A 22 -15.001 -2.987 -3.962 1.00 0.00 C ATOM 301 CD GLN A 22 -14.917 -3.923 -2.769 1.00 0.00 C ATOM 302 OE1 GLN A 22 -14.792 -5.139 -2.925 1.00 0.00 O ATOM 303 NE2 GLN A 22 -14.986 -3.360 -1.568 1.00 0.00 N ATOM 0 H GLN A 22 -13.065 -2.491 -7.189 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.039 -1.500 -4.552 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.527 -3.317 -6.022 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.671 -4.368 -4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.814 -1.966 -3.631 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.013 -3.010 -4.366 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -15.089 -2.349 -1.484 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.935 -3.939 -0.730 1.00 0.00 H new ATOM 312 N MET A 23 -11.243 -4.256 -4.932 1.00 0.00 N ATOM 313 CA MET A 23 -10.123 -4.983 -4.358 1.00 0.00 C ATOM 314 C MET A 23 -8.857 -4.123 -4.378 1.00 0.00 C ATOM 315 O MET A 23 -8.567 -3.431 -3.407 1.00 0.00 O ATOM 316 CB MET A 23 -9.903 -6.314 -5.093 1.00 0.00 C ATOM 317 CG MET A 23 -11.173 -7.136 -5.270 1.00 0.00 C ATOM 318 SD MET A 23 -11.432 -8.318 -3.929 1.00 0.00 S ATOM 319 CE MET A 23 -12.183 -7.273 -2.682 1.00 0.00 C ATOM 0 H MET A 23 -11.694 -4.720 -5.720 1.00 0.00 H new ATOM 0 HA MET A 23 -10.357 -5.212 -3.318 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.474 -6.110 -6.074 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.172 -6.906 -4.542 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.030 -6.465 -5.328 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.124 -7.673 -6.217 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.448 -7.041 -1.911 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.530 -6.348 -3.143 1.00 0.00 H new ATOM 0 HE3 MET A 23 -13.028 -7.794 -2.232 1.00 0.00 H new ATOM 329 N LEU A 24 -8.101 -4.180 -5.473 1.00 0.00 N ATOM 330 CA LEU A 24 -6.853 -3.410 -5.599 1.00 0.00 C ATOM 331 C LEU A 24 -7.087 -1.895 -5.533 1.00 0.00 C ATOM 332 O LEU A 24 -6.689 -1.182 -6.455 1.00 0.00 O ATOM 333 CB LEU A 24 -6.130 -3.734 -6.926 1.00 0.00 C ATOM 334 CG LEU A 24 -6.840 -4.693 -7.881 1.00 0.00 C ATOM 335 CD1 LEU A 24 -8.000 -3.997 -8.579 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.848 -5.234 -8.897 1.00 0.00 C ATOM 0 H LEU A 24 -8.326 -4.750 -6.289 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.235 -3.706 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.954 -2.797 -7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.153 -4.154 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.246 -5.526 -7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.492 -4.698 -9.254 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.716 -3.648 -7.835 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.625 -3.147 -9.149 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.358 -5.917 -9.576 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.423 -4.407 -9.466 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.050 -5.766 -8.379 1.00 0.00 H new ATOM 348 N GLY A 25 -7.713 -1.389 -4.457 1.00 0.00 N ATOM 349 CA GLY A 25 -7.954 0.044 -4.359 1.00 0.00 C ATOM 350 C GLY A 25 -8.152 0.673 -5.723 1.00 0.00 C ATOM 351 O GLY A 25 -8.685 0.035 -6.630 1.00 0.00 O ATOM 0 H GLY A 25 -8.050 -1.940 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.836 0.224 -3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.112 0.521 -3.857 1.00 0.00 H new ATOM 355 N GLU A 26 -7.696 1.903 -5.891 1.00 0.00 N ATOM 356 CA GLU A 26 -7.806 2.557 -7.184 1.00 0.00 C ATOM 357 C GLU A 26 -6.780 1.962 -8.147 1.00 0.00 C ATOM 358 O GLU A 26 -7.096 1.087 -8.951 1.00 0.00 O ATOM 359 CB GLU A 26 -7.635 4.080 -7.092 1.00 0.00 C ATOM 360 CG GLU A 26 -7.322 4.604 -5.699 1.00 0.00 C ATOM 361 CD GLU A 26 -8.477 4.424 -4.730 1.00 0.00 C ATOM 362 OE1 GLU A 26 -8.594 3.330 -4.143 1.00 0.00 O ATOM 363 OE2 GLU A 26 -9.269 5.375 -4.566 1.00 0.00 O ATOM 0 H GLU A 26 -7.253 2.461 -5.161 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.814 2.378 -7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.835 4.383 -7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.549 4.556 -7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.444 4.088 -5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.068 5.662 -5.762 1.00 0.00 H new ATOM 370 N ARG A 27 -5.548 2.463 -8.061 1.00 0.00 N ATOM 371 CA ARG A 27 -4.467 2.005 -8.930 1.00 0.00 C ATOM 372 C ARG A 27 -3.148 1.862 -8.175 1.00 0.00 C ATOM 373 O ARG A 27 -2.093 1.697 -8.787 1.00 0.00 O ATOM 374 CB ARG A 27 -4.274 2.994 -10.076 1.00 0.00 C ATOM 375 CG ARG A 27 -5.567 3.397 -10.761 1.00 0.00 C ATOM 376 CD ARG A 27 -6.209 2.215 -11.464 1.00 0.00 C ATOM 377 NE ARG A 27 -5.984 2.255 -12.908 1.00 0.00 N ATOM 378 CZ ARG A 27 -6.887 2.671 -13.794 1.00 0.00 C ATOM 379 NH1 ARG A 27 -8.081 3.095 -13.396 1.00 0.00 N ATOM 380 NH2 ARG A 27 -6.592 2.666 -15.087 1.00 0.00 N ATOM 0 H ARG A 27 -5.275 3.187 -7.397 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.750 1.024 -9.313 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.783 3.888 -9.693 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.604 2.554 -10.815 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.259 3.805 -10.025 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.367 4.188 -11.484 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.805 1.287 -11.059 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.280 2.210 -11.263 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.078 1.945 -13.259 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.314 3.104 -12.403 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.765 3.411 -14.083 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.676 2.344 -15.400 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.281 2.984 -15.769 1.00 0.00 H new ATOM 394 N LEU A 28 -3.199 1.949 -6.854 1.00 0.00 N ATOM 395 CA LEU A 28 -1.985 1.861 -6.050 1.00 0.00 C ATOM 396 C LEU A 28 -1.466 0.435 -5.904 1.00 0.00 C ATOM 397 O LEU A 28 -0.270 0.200 -6.071 1.00 0.00 O ATOM 398 CB LEU A 28 -2.215 2.485 -4.685 1.00 0.00 C ATOM 399 CG LEU A 28 -2.125 4.005 -4.690 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.048 4.598 -3.634 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.680 4.450 -4.490 1.00 0.00 C ATOM 0 H LEU A 28 -4.057 2.079 -6.319 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.213 2.418 -6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.198 2.188 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.481 2.088 -3.984 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.456 4.376 -5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.970 5.685 -3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.077 4.304 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.759 4.230 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.631 5.539 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.313 4.075 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.063 4.055 -5.297 1.00 0.00 H new ATOM 413 N PHE A 29 -2.348 -0.517 -5.610 1.00 0.00 N ATOM 414 CA PHE A 29 -1.929 -1.913 -5.470 1.00 0.00 C ATOM 415 C PHE A 29 -1.017 -2.299 -6.628 1.00 0.00 C ATOM 416 O PHE A 29 0.078 -2.805 -6.418 1.00 0.00 O ATOM 417 CB PHE A 29 -3.151 -2.833 -5.442 1.00 0.00 C ATOM 418 CG PHE A 29 -3.031 -4.070 -4.583 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.170 -4.148 -3.485 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.822 -5.172 -4.879 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.123 -5.306 -2.721 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.774 -6.318 -4.117 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.925 -6.386 -3.035 1.00 0.00 C ATOM 0 H PHE A 29 -3.344 -0.353 -5.465 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.384 -2.024 -4.532 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.008 -2.255 -5.094 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.370 -3.144 -6.463 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.541 -3.307 -3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.490 -5.129 -5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.454 -5.363 -1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.401 -7.161 -4.367 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.886 -7.282 -2.433 1.00 0.00 H new ATOM 433 N PRO A 30 -1.454 -2.037 -7.876 1.00 0.00 N ATOM 434 CA PRO A 30 -0.658 -2.341 -9.066 1.00 0.00 C ATOM 435 C PRO A 30 0.730 -1.718 -9.000 1.00 0.00 C ATOM 436 O PRO A 30 1.733 -2.362 -9.303 1.00 0.00 O ATOM 437 CB PRO A 30 -1.448 -1.701 -10.213 1.00 0.00 C ATOM 438 CG PRO A 30 -2.840 -1.554 -9.708 1.00 0.00 C ATOM 439 CD PRO A 30 -2.744 -1.409 -8.213 1.00 0.00 C ATOM 0 HA PRO A 30 -0.505 -3.414 -9.178 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.027 -0.734 -10.487 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.419 -2.326 -11.105 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.323 -0.683 -10.151 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.442 -2.422 -9.975 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.769 -0.362 -7.911 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.573 -1.906 -7.710 1.00 0.00 H new ATOM 447 N LEU A 31 0.767 -0.445 -8.625 1.00 0.00 N ATOM 448 CA LEU A 31 2.020 0.301 -8.541 1.00 0.00 C ATOM 449 C LEU A 31 2.886 -0.161 -7.373 1.00 0.00 C ATOM 450 O LEU A 31 4.078 -0.458 -7.534 1.00 0.00 O ATOM 451 CB LEU A 31 1.719 1.794 -8.417 1.00 0.00 C ATOM 452 CG LEU A 31 0.642 2.301 -9.366 1.00 0.00 C ATOM 453 CD1 LEU A 31 -0.016 3.560 -8.825 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.242 2.546 -10.735 1.00 0.00 C ATOM 0 H LEU A 31 -0.060 0.096 -8.373 1.00 0.00 H new ATOM 0 HA LEU A 31 2.584 0.112 -9.454 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.412 2.006 -7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.637 2.353 -8.597 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.134 1.541 -9.453 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.781 3.900 -9.523 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.475 3.345 -7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.736 4.340 -8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.468 2.909 -11.412 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.034 3.291 -10.657 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.656 1.615 -11.123 1.00 0.00 H new ATOM 466 N ILE A 32 2.286 -0.248 -6.200 1.00 0.00 N ATOM 467 CA ILE A 32 3.025 -0.692 -5.040 1.00 0.00 C ATOM 468 C ILE A 32 3.392 -2.157 -5.190 1.00 0.00 C ATOM 469 O ILE A 32 4.499 -2.554 -4.848 1.00 0.00 O ATOM 470 CB ILE A 32 2.264 -0.465 -3.731 1.00 0.00 C ATOM 471 CG1 ILE A 32 3.214 -0.700 -2.548 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.041 -1.360 -3.671 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.370 -2.151 -2.156 1.00 0.00 C ATOM 0 H ILE A 32 1.306 -0.021 -6.029 1.00 0.00 H new ATOM 0 HA ILE A 32 3.931 -0.089 -4.985 1.00 0.00 H new ATOM 0 HB ILE A 32 1.907 0.564 -3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.195 -0.296 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.849 -0.140 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.510 -1.188 -2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.382 -1.133 -4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.351 -2.404 -3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.057 -2.228 -1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.399 -2.557 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.766 -2.715 -3.000 1.00 0.00 H new ATOM 485 N GLN A 33 2.480 -2.957 -5.748 1.00 0.00 N ATOM 486 CA GLN A 33 2.773 -4.367 -5.978 1.00 0.00 C ATOM 487 C GLN A 33 4.166 -4.476 -6.596 1.00 0.00 C ATOM 488 O GLN A 33 4.964 -5.342 -6.239 1.00 0.00 O ATOM 489 CB GLN A 33 1.743 -5.007 -6.915 1.00 0.00 C ATOM 490 CG GLN A 33 1.591 -6.508 -6.713 1.00 0.00 C ATOM 491 CD GLN A 33 1.275 -7.243 -8.005 1.00 0.00 C ATOM 492 OE1 GLN A 33 0.960 -6.624 -9.021 1.00 0.00 O ATOM 493 NE2 GLN A 33 1.352 -8.571 -7.975 1.00 0.00 N ATOM 0 H GLN A 33 1.551 -2.657 -6.043 1.00 0.00 H new ATOM 0 HA GLN A 33 2.730 -4.897 -5.026 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.776 -4.528 -6.761 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.034 -4.815 -7.948 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.511 -6.908 -6.287 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.797 -6.695 -5.990 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.617 -9.047 -7.113 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.146 -9.113 -8.814 1.00 0.00 H new ATOM 502 N ALA A 34 4.430 -3.563 -7.534 1.00 0.00 N ATOM 503 CA ALA A 34 5.708 -3.495 -8.237 1.00 0.00 C ATOM 504 C ALA A 34 6.867 -3.275 -7.278 1.00 0.00 C ATOM 505 O ALA A 34 7.979 -3.744 -7.508 1.00 0.00 O ATOM 506 CB ALA A 34 5.668 -2.384 -9.276 1.00 0.00 C ATOM 0 H ALA A 34 3.761 -2.850 -7.826 1.00 0.00 H new ATOM 0 HA ALA A 34 5.869 -4.452 -8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.624 -2.338 -9.797 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.873 -2.586 -9.994 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.478 -1.431 -8.782 1.00 0.00 H new ATOM 512 N MET A 35 6.597 -2.545 -6.212 1.00 0.00 N ATOM 513 CA MET A 35 7.623 -2.240 -5.208 1.00 0.00 C ATOM 514 C MET A 35 7.514 -3.177 -4.000 1.00 0.00 C ATOM 515 O MET A 35 8.475 -3.857 -3.640 1.00 0.00 O ATOM 516 CB MET A 35 7.499 -0.785 -4.747 1.00 0.00 C ATOM 517 CG MET A 35 7.146 0.187 -5.863 1.00 0.00 C ATOM 518 SD MET A 35 8.558 0.588 -6.910 1.00 0.00 S ATOM 519 CE MET A 35 9.359 1.852 -5.928 1.00 0.00 C ATOM 0 H MET A 35 5.679 -2.148 -6.011 1.00 0.00 H new ATOM 0 HA MET A 35 8.598 -2.390 -5.672 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.737 -0.724 -3.970 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.441 -0.476 -4.294 1.00 0.00 H new ATOM 0 HG2 MET A 35 6.354 -0.243 -6.477 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.749 1.104 -5.428 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.338 2.075 -6.351 1.00 0.00 H new ATOM 0 HE2 MET A 35 8.749 2.755 -5.929 1.00 0.00 H new ATOM 0 HE3 MET A 35 9.479 1.496 -4.905 1.00 0.00 H new ATOM 529 N HIS A 36 6.328 -3.229 -3.408 1.00 0.00 N ATOM 530 CA HIS A 36 6.056 -4.101 -2.264 1.00 0.00 C ATOM 531 C HIS A 36 6.927 -3.799 -1.049 1.00 0.00 C ATOM 532 O HIS A 36 7.408 -4.721 -0.388 1.00 0.00 O ATOM 533 CB HIS A 36 6.220 -5.565 -2.666 1.00 0.00 C ATOM 534 CG HIS A 36 4.943 -6.195 -3.114 1.00 0.00 C ATOM 535 ND1 HIS A 36 4.858 -7.496 -3.558 1.00 0.00 N ATOM 536 CD2 HIS A 36 3.688 -5.694 -3.180 1.00 0.00 C ATOM 537 CE1 HIS A 36 3.606 -7.770 -3.878 1.00 0.00 C ATOM 538 NE2 HIS A 36 2.877 -6.694 -3.655 1.00 0.00 N ATOM 0 H HIS A 36 5.527 -2.671 -3.703 1.00 0.00 H new ATOM 0 HA HIS A 36 5.026 -3.904 -1.968 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.954 -5.635 -3.469 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.618 -6.126 -1.820 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.382 -4.694 -2.910 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.242 -8.713 -4.257 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.872 -6.617 -3.811 1.00 0.00 H new ATOM 546 N PRO A 37 7.129 -2.519 -0.698 1.00 0.00 N ATOM 547 CA PRO A 37 7.922 -2.171 0.473 1.00 0.00 C ATOM 548 C PRO A 37 7.342 -2.814 1.732 1.00 0.00 C ATOM 549 O PRO A 37 7.899 -3.774 2.264 1.00 0.00 O ATOM 550 CB PRO A 37 7.835 -0.639 0.555 1.00 0.00 C ATOM 551 CG PRO A 37 6.693 -0.257 -0.325 1.00 0.00 C ATOM 552 CD PRO A 37 6.594 -1.328 -1.376 1.00 0.00 C ATOM 0 HA PRO A 37 8.950 -2.525 0.396 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.667 -0.310 1.580 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.762 -0.175 0.219 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.768 -0.187 0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.862 0.719 -0.779 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.565 -1.479 -1.701 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.175 -1.076 -2.263 1.00 0.00 H new ATOM 560 N THR A 38 6.235 -2.259 2.217 1.00 0.00 N ATOM 561 CA THR A 38 5.596 -2.756 3.433 1.00 0.00 C ATOM 562 C THR A 38 4.419 -3.688 3.132 1.00 0.00 C ATOM 563 O THR A 38 4.441 -4.861 3.501 1.00 0.00 O ATOM 564 CB THR A 38 5.128 -1.580 4.297 1.00 0.00 C ATOM 565 OG1 THR A 38 3.915 -1.038 3.795 1.00 0.00 O ATOM 566 CG2 THR A 38 6.145 -0.457 4.376 1.00 0.00 C ATOM 0 H THR A 38 5.761 -1.465 1.787 1.00 0.00 H new ATOM 0 HA THR A 38 6.340 -3.339 3.976 1.00 0.00 H new ATOM 0 HB THR A 38 4.987 -1.990 5.297 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.392 -0.665 4.535 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.754 0.345 5.002 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.072 -0.835 4.808 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.341 -0.073 3.375 1.00 0.00 H new ATOM 574 N LEU A 39 3.385 -3.157 2.479 1.00 0.00 N ATOM 575 CA LEU A 39 2.200 -3.953 2.155 1.00 0.00 C ATOM 576 C LEU A 39 1.350 -3.272 1.085 1.00 0.00 C ATOM 577 O LEU A 39 0.690 -2.270 1.351 1.00 0.00 O ATOM 578 CB LEU A 39 1.362 -4.177 3.417 1.00 0.00 C ATOM 579 CG LEU A 39 1.111 -5.644 3.778 1.00 0.00 C ATOM 580 CD1 LEU A 39 1.505 -5.912 5.224 1.00 0.00 C ATOM 581 CD2 LEU A 39 -0.348 -6.009 3.546 1.00 0.00 C ATOM 0 H LEU A 39 3.343 -2.187 2.166 1.00 0.00 H new ATOM 0 HA LEU A 39 2.535 -4.913 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.861 -3.693 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.400 -3.681 3.288 1.00 0.00 H new ATOM 0 HG LEU A 39 1.728 -6.268 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.320 -6.959 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.564 -5.690 5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.914 -5.279 5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.507 -7.055 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.984 -5.378 4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.599 -5.855 2.496 1.00 0.00 H new ATOM 593 N ALA A 40 1.360 -3.836 -0.118 1.00 0.00 N ATOM 594 CA ALA A 40 0.589 -3.302 -1.237 1.00 0.00 C ATOM 595 C ALA A 40 -0.868 -3.027 -0.868 1.00 0.00 C ATOM 596 O ALA A 40 -1.388 -1.949 -1.153 1.00 0.00 O ATOM 597 CB ALA A 40 0.698 -4.250 -2.427 1.00 0.00 C ATOM 0 H ALA A 40 1.899 -4.671 -0.345 1.00 0.00 H new ATOM 0 HA ALA A 40 1.013 -2.336 -1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.123 -3.852 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.743 -4.348 -2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.306 -5.229 -2.150 1.00 0.00 H new ATOM 603 N GLY A 41 -1.536 -3.996 -0.257 1.00 0.00 N ATOM 604 CA GLY A 41 -2.929 -3.809 0.105 1.00 0.00 C ATOM 605 C GLY A 41 -3.153 -2.603 0.998 1.00 0.00 C ATOM 606 O GLY A 41 -3.890 -1.683 0.645 1.00 0.00 O ATOM 0 H GLY A 41 -1.142 -4.903 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.523 -3.697 -0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.290 -4.703 0.614 1.00 0.00 H new ATOM 610 N LYS A 42 -2.530 -2.621 2.167 1.00 0.00 N ATOM 611 CA LYS A 42 -2.674 -1.539 3.133 1.00 0.00 C ATOM 612 C LYS A 42 -2.065 -0.225 2.632 1.00 0.00 C ATOM 613 O LYS A 42 -2.636 0.842 2.842 1.00 0.00 O ATOM 614 CB LYS A 42 -2.038 -1.936 4.466 1.00 0.00 C ATOM 615 CG LYS A 42 -3.055 -2.181 5.568 1.00 0.00 C ATOM 616 CD LYS A 42 -3.095 -1.033 6.563 1.00 0.00 C ATOM 617 CE LYS A 42 -4.514 -0.531 6.785 1.00 0.00 C ATOM 618 NZ LYS A 42 -5.384 -1.577 7.392 1.00 0.00 N ATOM 0 H LYS A 42 -1.916 -3.377 2.472 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.742 -1.370 3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.444 -2.838 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.353 -1.150 4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.043 -2.315 5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.810 -3.106 6.090 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.672 -1.360 7.513 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.472 -0.215 6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.492 0.345 7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.939 -0.212 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.350 -1.207 7.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.398 -2.416 6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.011 -1.839 8.327 1.00 0.00 H new ATOM 632 N ILE A 43 -0.916 -0.302 1.963 1.00 0.00 N ATOM 633 CA ILE A 43 -0.253 0.897 1.441 1.00 0.00 C ATOM 634 C ILE A 43 -1.225 1.766 0.651 1.00 0.00 C ATOM 635 O ILE A 43 -1.209 2.993 0.743 1.00 0.00 O ATOM 636 CB ILE A 43 0.942 0.522 0.525 1.00 0.00 C ATOM 637 CG1 ILE A 43 2.141 1.432 0.795 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.549 0.581 -0.948 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.403 0.661 1.118 1.00 0.00 C ATOM 0 H ILE A 43 -0.425 -1.175 1.769 1.00 0.00 H new ATOM 0 HA ILE A 43 0.113 1.457 2.302 1.00 0.00 H new ATOM 0 HB ILE A 43 1.228 -0.504 0.758 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.318 2.060 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.906 2.098 1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.407 0.313 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.265 -0.119 -1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.224 1.591 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.220 1.360 1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.240 0.053 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.659 0.014 0.279 1.00 0.00 H new ATOM 651 N THR A 44 -2.044 1.105 -0.150 1.00 0.00 N ATOM 652 CA THR A 44 -3.007 1.784 -1.000 1.00 0.00 C ATOM 653 C THR A 44 -3.975 2.645 -0.195 1.00 0.00 C ATOM 654 O THR A 44 -4.231 3.792 -0.555 1.00 0.00 O ATOM 655 CB THR A 44 -3.766 0.751 -1.839 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.879 0.066 -2.705 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.861 1.347 -2.692 1.00 0.00 C ATOM 0 H THR A 44 -2.060 0.088 -0.229 1.00 0.00 H new ATOM 0 HA THR A 44 -2.461 2.458 -1.660 1.00 0.00 H new ATOM 0 HB THR A 44 -4.223 0.077 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.378 -0.605 -2.196 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.353 0.556 -3.257 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.590 1.844 -2.053 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.430 2.072 -3.383 1.00 0.00 H new ATOM 665 N GLY A 45 -4.499 2.112 0.904 1.00 0.00 N ATOM 666 CA GLY A 45 -5.415 2.886 1.718 1.00 0.00 C ATOM 667 C GLY A 45 -4.806 4.203 2.146 1.00 0.00 C ATOM 668 O GLY A 45 -5.499 5.214 2.264 1.00 0.00 O ATOM 0 H GLY A 45 -4.308 1.169 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.331 3.074 1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.694 2.310 2.600 1.00 0.00 H new ATOM 672 N MET A 46 -3.499 4.188 2.361 1.00 0.00 N ATOM 673 CA MET A 46 -2.777 5.380 2.769 1.00 0.00 C ATOM 674 C MET A 46 -2.710 6.376 1.624 1.00 0.00 C ATOM 675 O MET A 46 -3.210 7.495 1.733 1.00 0.00 O ATOM 676 CB MET A 46 -1.370 5.010 3.233 1.00 0.00 C ATOM 677 CG MET A 46 -1.337 4.421 4.631 1.00 0.00 C ATOM 678 SD MET A 46 -2.117 2.799 4.717 1.00 0.00 S ATOM 679 CE MET A 46 -3.294 3.055 6.040 1.00 0.00 C ATOM 0 H MET A 46 -2.916 3.358 2.258 1.00 0.00 H new ATOM 0 HA MET A 46 -3.309 5.843 3.600 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.941 4.293 2.533 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.740 5.899 3.205 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.302 4.341 4.963 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.841 5.100 5.319 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.076 2.298 5.983 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.784 2.978 7.000 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.740 4.045 5.944 1.00 0.00 H new ATOM 689 N LEU A 47 -2.078 5.970 0.530 1.00 0.00 N ATOM 690 CA LEU A 47 -1.939 6.842 -0.622 1.00 0.00 C ATOM 691 C LEU A 47 -3.302 7.281 -1.135 1.00 0.00 C ATOM 692 O LEU A 47 -3.405 8.294 -1.827 1.00 0.00 O ATOM 693 CB LEU A 47 -1.161 6.132 -1.735 1.00 0.00 C ATOM 694 CG LEU A 47 0.326 5.862 -1.474 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.201 6.784 -2.319 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.669 5.987 0.002 1.00 0.00 C ATOM 0 H LEU A 47 -1.657 5.048 0.419 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.385 7.729 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.649 5.179 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.244 6.730 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 47 0.530 4.833 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.251 6.574 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.994 6.615 -3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.984 7.822 -2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.731 5.789 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.438 6.996 0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.084 5.267 0.574 1.00 0.00 H new ATOM 708 N LEU A 48 -4.350 6.512 -0.830 1.00 0.00 N ATOM 709 CA LEU A 48 -5.696 6.840 -1.307 1.00 0.00 C ATOM 710 C LEU A 48 -6.196 8.207 -0.803 1.00 0.00 C ATOM 711 O LEU A 48 -7.397 8.476 -0.828 1.00 0.00 O ATOM 712 CB LEU A 48 -6.692 5.745 -0.892 1.00 0.00 C ATOM 713 CG LEU A 48 -7.362 5.019 -2.060 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.358 4.126 -2.761 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.565 4.207 -1.593 1.00 0.00 C ATOM 0 H LEU A 48 -4.295 5.667 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.633 6.897 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.171 5.012 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.465 6.193 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.723 5.769 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.844 3.613 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.535 4.732 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.972 3.390 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.018 3.704 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.242 3.464 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.297 4.872 -1.134 1.00 0.00 H new ATOM 727 N GLU A 49 -5.283 9.067 -0.356 1.00 0.00 N ATOM 728 CA GLU A 49 -5.651 10.392 0.136 1.00 0.00 C ATOM 729 C GLU A 49 -6.013 11.334 -1.013 1.00 0.00 C ATOM 730 O GLU A 49 -6.513 12.435 -0.788 1.00 0.00 O ATOM 731 CB GLU A 49 -4.496 10.997 0.937 1.00 0.00 C ATOM 732 CG GLU A 49 -3.173 11.028 0.184 1.00 0.00 C ATOM 733 CD GLU A 49 -3.079 12.190 -0.787 1.00 0.00 C ATOM 734 OE1 GLU A 49 -3.669 13.253 -0.499 1.00 0.00 O ATOM 735 OE2 GLU A 49 -2.417 12.039 -1.835 1.00 0.00 O ATOM 0 H GLU A 49 -4.283 8.869 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.525 10.274 0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.761 12.013 1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.366 10.426 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.354 11.091 0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.048 10.093 -0.362 1.00 0.00 H new ATOM 742 N ILE A 50 -5.738 10.902 -2.240 1.00 0.00 N ATOM 743 CA ILE A 50 -6.014 11.712 -3.420 1.00 0.00 C ATOM 744 C ILE A 50 -7.192 11.139 -4.226 1.00 0.00 C ATOM 745 O ILE A 50 -7.714 10.072 -3.898 1.00 0.00 O ATOM 746 CB ILE A 50 -4.733 11.826 -4.287 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.771 13.044 -5.221 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.499 10.552 -5.082 1.00 0.00 C ATOM 749 CD1 ILE A 50 -5.373 14.291 -4.604 1.00 0.00 C ATOM 0 H ILE A 50 -5.323 9.993 -2.442 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.306 12.712 -3.100 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.898 11.968 -3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.755 13.269 -5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.341 12.784 -6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.595 10.658 -5.681 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.384 9.712 -4.397 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.350 10.371 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.359 15.101 -5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.402 14.089 -4.305 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.791 14.581 -3.729 1.00 0.00 H new ATOM 761 N ASP A 51 -7.596 11.844 -5.285 1.00 0.00 N ATOM 762 CA ASP A 51 -8.691 11.413 -6.149 1.00 0.00 C ATOM 763 C ASP A 51 -8.285 10.246 -7.041 1.00 0.00 C ATOM 764 O ASP A 51 -7.153 10.185 -7.517 1.00 0.00 O ATOM 765 CB ASP A 51 -9.155 12.583 -7.017 1.00 0.00 C ATOM 766 CG ASP A 51 -10.571 12.406 -7.527 1.00 0.00 C ATOM 767 OD1 ASP A 51 -10.918 11.278 -7.936 1.00 0.00 O ATOM 768 OD2 ASP A 51 -11.331 13.395 -7.516 1.00 0.00 O ATOM 0 H ASP A 51 -7.172 12.728 -5.565 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.506 11.076 -5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.094 13.505 -6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.479 12.692 -7.865 1.00 0.00 H new ATOM 773 N ASN A 52 -9.223 9.333 -7.291 1.00 0.00 N ATOM 774 CA ASN A 52 -8.952 8.191 -8.159 1.00 0.00 C ATOM 775 C ASN A 52 -8.289 8.650 -9.462 1.00 0.00 C ATOM 776 O ASN A 52 -7.581 7.883 -10.111 1.00 0.00 O ATOM 777 CB ASN A 52 -10.248 7.438 -8.493 1.00 0.00 C ATOM 778 CG ASN A 52 -9.987 6.138 -9.239 1.00 0.00 C ATOM 779 OD1 ASN A 52 -8.842 5.813 -9.555 1.00 0.00 O ATOM 780 ND2 ASN A 52 -11.048 5.386 -9.532 1.00 0.00 N ATOM 0 H ASN A 52 -10.168 9.362 -6.908 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.277 7.522 -7.624 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.788 7.223 -7.571 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.891 8.078 -9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.927 4.507 -10.035 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.981 5.690 -9.253 1.00 0.00 H new ATOM 787 N SER A 53 -8.542 9.902 -9.848 1.00 0.00 N ATOM 788 CA SER A 53 -7.994 10.448 -11.088 1.00 0.00 C ATOM 789 C SER A 53 -6.497 10.730 -10.992 1.00 0.00 C ATOM 790 O SER A 53 -5.797 10.725 -12.004 1.00 0.00 O ATOM 791 CB SER A 53 -8.739 11.727 -11.475 1.00 0.00 C ATOM 792 OG SER A 53 -8.209 12.854 -10.801 1.00 0.00 O ATOM 0 H SER A 53 -9.122 10.555 -9.320 1.00 0.00 H new ATOM 0 HA SER A 53 -8.133 9.690 -11.859 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.670 11.879 -12.552 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.797 11.621 -11.235 1.00 0.00 H new ATOM 0 HG SER A 53 -8.703 13.657 -11.068 1.00 0.00 H new ATOM 798 N GLU A 54 -6.007 10.983 -9.787 1.00 0.00 N ATOM 799 CA GLU A 54 -4.589 11.272 -9.601 1.00 0.00 C ATOM 800 C GLU A 54 -3.758 10.002 -9.697 1.00 0.00 C ATOM 801 O GLU A 54 -2.696 9.986 -10.320 1.00 0.00 O ATOM 802 CB GLU A 54 -4.345 11.945 -8.249 1.00 0.00 C ATOM 803 CG GLU A 54 -2.883 12.283 -8.008 1.00 0.00 C ATOM 804 CD GLU A 54 -2.394 13.410 -8.897 1.00 0.00 C ATOM 805 OE1 GLU A 54 -3.214 14.281 -9.256 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.191 13.420 -9.236 1.00 0.00 O ATOM 0 H GLU A 54 -6.562 10.995 -8.931 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.284 11.952 -10.396 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.937 12.858 -8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.696 11.287 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.745 12.563 -6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.274 11.396 -8.183 1.00 0.00 H new ATOM 813 N LEU A 55 -4.244 8.941 -9.072 1.00 0.00 N ATOM 814 CA LEU A 55 -3.547 7.666 -9.079 1.00 0.00 C ATOM 815 C LEU A 55 -3.455 7.109 -10.495 1.00 0.00 C ATOM 816 O LEU A 55 -2.521 6.379 -10.825 1.00 0.00 O ATOM 817 CB LEU A 55 -4.246 6.691 -8.140 1.00 0.00 C ATOM 818 CG LEU A 55 -4.545 7.275 -6.756 1.00 0.00 C ATOM 819 CD1 LEU A 55 -5.980 7.767 -6.677 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.264 6.258 -5.666 1.00 0.00 C ATOM 0 H LEU A 55 -5.121 8.939 -8.552 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.528 7.814 -8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.181 6.367 -8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.624 5.804 -8.023 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.884 8.128 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.170 8.178 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.141 8.541 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.660 6.936 -6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.484 6.697 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.891 5.379 -5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.215 5.966 -5.703 1.00 0.00 H new ATOM 832 N LEU A 56 -4.408 7.482 -11.342 1.00 0.00 N ATOM 833 CA LEU A 56 -4.389 7.042 -12.729 1.00 0.00 C ATOM 834 C LEU A 56 -3.207 7.689 -13.445 1.00 0.00 C ATOM 835 O LEU A 56 -2.485 7.040 -14.199 1.00 0.00 O ATOM 836 CB LEU A 56 -5.695 7.421 -13.430 1.00 0.00 C ATOM 837 CG LEU A 56 -6.626 6.249 -13.746 1.00 0.00 C ATOM 838 CD1 LEU A 56 -7.492 5.915 -12.539 1.00 0.00 C ATOM 839 CD2 LEU A 56 -7.489 6.574 -14.953 1.00 0.00 C ATOM 0 H LEU A 56 -5.195 8.082 -11.095 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.286 5.957 -12.758 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.232 8.133 -12.803 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.454 7.934 -14.361 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.019 5.375 -13.981 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.148 5.079 -12.782 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.854 5.643 -11.698 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.095 6.783 -12.272 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.147 5.732 -15.167 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.089 7.459 -14.743 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.851 6.765 -15.816 1.00 0.00 H new ATOM 851 N HIS A 57 -3.025 8.982 -13.184 1.00 0.00 N ATOM 852 CA HIS A 57 -1.940 9.753 -13.780 1.00 0.00 C ATOM 853 C HIS A 57 -0.582 9.147 -13.430 1.00 0.00 C ATOM 854 O HIS A 57 0.274 8.983 -14.297 1.00 0.00 O ATOM 855 CB HIS A 57 -2.003 11.206 -13.292 1.00 0.00 C ATOM 856 CG HIS A 57 -2.258 12.208 -14.379 1.00 0.00 C ATOM 857 ND1 HIS A 57 -1.300 12.590 -15.296 1.00 0.00 N ATOM 858 CD2 HIS A 57 -3.368 12.926 -14.682 1.00 0.00 C ATOM 859 CE1 HIS A 57 -1.807 13.498 -16.113 1.00 0.00 C ATOM 860 NE2 HIS A 57 -3.060 13.717 -15.762 1.00 0.00 N ATOM 0 H HIS A 57 -3.623 9.521 -12.557 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.058 9.728 -14.863 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.789 11.292 -12.542 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.063 11.453 -12.798 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.318 12.884 -14.169 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.285 13.978 -16.928 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.697 14.369 -16.219 1.00 0.00 H new ATOM 868 N MET A 58 -0.388 8.821 -12.152 1.00 0.00 N ATOM 869 CA MET A 58 0.873 8.239 -11.701 1.00 0.00 C ATOM 870 C MET A 58 1.051 6.834 -12.260 1.00 0.00 C ATOM 871 O MET A 58 2.159 6.432 -12.612 1.00 0.00 O ATOM 872 CB MET A 58 0.951 8.206 -10.169 1.00 0.00 C ATOM 873 CG MET A 58 -0.072 7.306 -9.504 1.00 0.00 C ATOM 874 SD MET A 58 -0.134 7.535 -7.713 1.00 0.00 S ATOM 875 CE MET A 58 1.250 6.533 -7.174 1.00 0.00 C ATOM 0 H MET A 58 -1.083 8.949 -11.417 1.00 0.00 H new ATOM 0 HA MET A 58 1.679 8.871 -12.074 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.949 7.879 -9.876 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.824 9.220 -9.790 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.057 7.506 -9.927 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.165 6.266 -9.726 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.248 6.464 -6.086 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.164 5.534 -7.601 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.182 6.990 -7.507 1.00 0.00 H new ATOM 885 N LEU A 59 -0.041 6.087 -12.328 1.00 0.00 N ATOM 886 CA LEU A 59 0.012 4.719 -12.828 1.00 0.00 C ATOM 887 C LEU A 59 0.518 4.681 -14.267 1.00 0.00 C ATOM 888 O LEU A 59 1.185 3.728 -14.670 1.00 0.00 O ATOM 889 CB LEU A 59 -1.362 4.046 -12.714 1.00 0.00 C ATOM 890 CG LEU A 59 -1.563 2.805 -13.593 1.00 0.00 C ATOM 891 CD1 LEU A 59 -1.830 1.571 -12.745 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.697 3.034 -14.577 1.00 0.00 C ATOM 0 H LEU A 59 -0.969 6.401 -12.046 1.00 0.00 H new ATOM 0 HA LEU A 59 0.717 4.161 -12.211 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.524 3.763 -11.674 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.128 4.778 -12.968 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.644 2.633 -14.154 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.969 0.706 -13.394 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.983 1.395 -12.082 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.730 1.726 -12.150 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.828 2.145 -15.194 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.618 3.235 -14.030 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.460 3.886 -15.214 1.00 0.00 H new ATOM 904 N GLU A 60 0.229 5.725 -15.033 1.00 0.00 N ATOM 905 CA GLU A 60 0.693 5.795 -16.414 1.00 0.00 C ATOM 906 C GLU A 60 1.968 6.633 -16.512 1.00 0.00 C ATOM 907 O GLU A 60 2.463 6.901 -17.605 1.00 0.00 O ATOM 908 CB GLU A 60 -0.394 6.382 -17.318 1.00 0.00 C ATOM 909 CG GLU A 60 -1.626 5.502 -17.428 1.00 0.00 C ATOM 910 CD GLU A 60 -2.840 6.253 -17.936 1.00 0.00 C ATOM 911 OE1 GLU A 60 -3.024 6.320 -19.169 1.00 0.00 O ATOM 912 OE2 GLU A 60 -3.609 6.773 -17.100 1.00 0.00 O ATOM 0 H GLU A 60 -0.319 6.528 -14.726 1.00 0.00 H new ATOM 0 HA GLU A 60 0.916 4.782 -16.749 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.687 7.359 -16.934 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.019 6.542 -18.314 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.413 4.669 -18.098 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.851 5.076 -16.450 1.00 0.00 H new ATOM 919 N SER A 61 2.495 7.042 -15.357 1.00 0.00 N ATOM 920 CA SER A 61 3.710 7.849 -15.311 1.00 0.00 C ATOM 921 C SER A 61 4.579 7.470 -14.110 1.00 0.00 C ATOM 922 O SER A 61 4.303 7.881 -12.984 1.00 0.00 O ATOM 923 CB SER A 61 3.351 9.332 -15.235 1.00 0.00 C ATOM 924 OG SER A 61 4.327 10.127 -15.886 1.00 0.00 O ATOM 0 H SER A 61 2.098 6.827 -14.442 1.00 0.00 H new ATOM 0 HA SER A 61 4.277 7.656 -16.222 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.377 9.498 -15.695 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.267 9.636 -14.192 1.00 0.00 H new ATOM 0 HG SER A 61 4.293 11.041 -15.533 1.00 0.00 H new ATOM 930 N PRO A 62 5.647 6.678 -14.330 1.00 0.00 N ATOM 931 CA PRO A 62 6.546 6.259 -13.250 1.00 0.00 C ATOM 932 C PRO A 62 7.073 7.440 -12.435 1.00 0.00 C ATOM 933 O PRO A 62 7.271 7.331 -11.224 1.00 0.00 O ATOM 934 CB PRO A 62 7.697 5.574 -13.991 1.00 0.00 C ATOM 935 CG PRO A 62 7.104 5.116 -15.279 1.00 0.00 C ATOM 936 CD PRO A 62 6.057 6.135 -15.639 1.00 0.00 C ATOM 0 HA PRO A 62 6.039 5.618 -12.529 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.524 6.263 -14.160 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.093 4.736 -13.418 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.865 5.047 -16.056 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.664 4.124 -15.175 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.459 6.912 -16.289 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.218 5.681 -16.167 1.00 0.00 H new ATOM 944 N GLU A 63 7.308 8.562 -13.113 1.00 0.00 N ATOM 945 CA GLU A 63 7.827 9.764 -12.463 1.00 0.00 C ATOM 946 C GLU A 63 6.958 10.188 -11.279 1.00 0.00 C ATOM 947 O GLU A 63 7.447 10.316 -10.155 1.00 0.00 O ATOM 948 CB GLU A 63 7.936 10.910 -13.473 1.00 0.00 C ATOM 949 CG GLU A 63 6.686 11.111 -14.316 1.00 0.00 C ATOM 950 CD GLU A 63 7.003 11.524 -15.743 1.00 0.00 C ATOM 951 OE1 GLU A 63 8.200 11.578 -16.095 1.00 0.00 O ATOM 952 OE2 GLU A 63 6.054 11.792 -16.508 1.00 0.00 O ATOM 0 H GLU A 63 7.147 8.664 -14.115 1.00 0.00 H new ATOM 0 HA GLU A 63 8.819 9.527 -12.079 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.153 11.834 -12.937 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.781 10.719 -14.134 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.109 10.186 -14.329 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.058 11.872 -13.852 1.00 0.00 H new ATOM 959 N SER A 64 5.672 10.398 -11.531 1.00 0.00 N ATOM 960 CA SER A 64 4.743 10.798 -10.481 1.00 0.00 C ATOM 961 C SER A 64 4.428 9.598 -9.608 1.00 0.00 C ATOM 962 O SER A 64 4.126 9.728 -8.422 1.00 0.00 O ATOM 963 CB SER A 64 3.458 11.366 -11.092 1.00 0.00 C ATOM 964 OG SER A 64 3.681 12.652 -11.644 1.00 0.00 O ATOM 0 H SER A 64 5.248 10.298 -12.453 1.00 0.00 H new ATOM 0 HA SER A 64 5.202 11.577 -9.872 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.092 10.693 -11.867 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.683 11.424 -10.328 1.00 0.00 H new ATOM 0 HG SER A 64 2.846 12.992 -12.029 1.00 0.00 H new ATOM 970 N LEU A 65 4.500 8.426 -10.223 1.00 0.00 N ATOM 971 CA LEU A 65 4.225 7.180 -9.540 1.00 0.00 C ATOM 972 C LEU A 65 5.129 7.018 -8.333 1.00 0.00 C ATOM 973 O LEU A 65 4.660 6.989 -7.195 1.00 0.00 O ATOM 974 CB LEU A 65 4.439 6.008 -10.498 1.00 0.00 C ATOM 975 CG LEU A 65 4.148 4.617 -9.928 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.433 3.948 -9.470 1.00 0.00 C ATOM 977 CD2 LEU A 65 3.142 4.688 -8.787 1.00 0.00 C ATOM 0 H LEU A 65 4.750 8.317 -11.206 1.00 0.00 H new ATOM 0 HA LEU A 65 3.189 7.194 -9.201 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.808 6.160 -11.374 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.473 6.029 -10.842 1.00 0.00 H new ATOM 0 HG LEU A 65 3.709 4.014 -10.723 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.206 2.961 -9.068 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.113 3.848 -10.316 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.904 4.555 -8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.956 3.685 -8.403 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.541 5.314 -7.989 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.208 5.116 -9.151 1.00 0.00 H new ATOM 989 N ARG A 66 6.420 6.908 -8.581 1.00 0.00 N ATOM 990 CA ARG A 66 7.375 6.737 -7.495 1.00 0.00 C ATOM 991 C ARG A 66 7.267 7.879 -6.492 1.00 0.00 C ATOM 992 O ARG A 66 7.512 7.702 -5.303 1.00 0.00 O ATOM 993 CB ARG A 66 8.797 6.645 -8.045 1.00 0.00 C ATOM 994 CG ARG A 66 9.811 6.168 -7.020 1.00 0.00 C ATOM 995 CD ARG A 66 10.247 4.736 -7.287 1.00 0.00 C ATOM 996 NE ARG A 66 11.265 4.294 -6.337 1.00 0.00 N ATOM 997 CZ ARG A 66 12.540 4.074 -6.652 1.00 0.00 C ATOM 998 NH1 ARG A 66 12.970 4.243 -7.898 1.00 0.00 N ATOM 999 NH2 ARG A 66 13.391 3.686 -5.713 1.00 0.00 N ATOM 0 H ARG A 66 6.832 6.933 -9.514 1.00 0.00 H new ATOM 0 HA ARG A 66 7.139 5.806 -6.979 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.806 5.965 -8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.099 7.625 -8.415 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.682 6.823 -7.037 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.380 6.237 -6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.382 4.075 -7.227 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.638 4.658 -8.302 1.00 0.00 H new ATOM 0 HE ARG A 66 10.981 4.144 -5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.321 4.544 -8.625 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.949 4.071 -8.127 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.068 3.557 -4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.369 3.516 -5.949 1.00 0.00 H new ATOM 1013 N SER A 67 6.889 9.048 -6.985 1.00 0.00 N ATOM 1014 CA SER A 67 6.743 10.228 -6.142 1.00 0.00 C ATOM 1015 C SER A 67 5.796 9.979 -4.967 1.00 0.00 C ATOM 1016 O SER A 67 6.135 10.256 -3.815 1.00 0.00 O ATOM 1017 CB SER A 67 6.222 11.391 -6.980 1.00 0.00 C ATOM 1018 OG SER A 67 6.400 12.625 -6.311 1.00 0.00 O ATOM 0 H SER A 67 6.676 9.207 -7.970 1.00 0.00 H new ATOM 0 HA SER A 67 7.724 10.467 -5.732 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.743 11.415 -7.937 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.164 11.241 -7.197 1.00 0.00 H new ATOM 0 HG SER A 67 6.059 13.353 -6.871 1.00 0.00 H new ATOM 1024 N LYS A 68 4.603 9.474 -5.265 1.00 0.00 N ATOM 1025 CA LYS A 68 3.601 9.215 -4.230 1.00 0.00 C ATOM 1026 C LYS A 68 3.897 7.919 -3.478 1.00 0.00 C ATOM 1027 O LYS A 68 3.919 7.901 -2.247 1.00 0.00 O ATOM 1028 CB LYS A 68 2.185 9.171 -4.831 1.00 0.00 C ATOM 1029 CG LYS A 68 2.055 9.872 -6.180 1.00 0.00 C ATOM 1030 CD LYS A 68 0.876 10.830 -6.213 1.00 0.00 C ATOM 1031 CE LYS A 68 1.210 12.094 -6.992 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.272 13.210 -6.686 1.00 0.00 N ATOM 0 H LYS A 68 4.305 9.236 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 68 3.650 10.039 -3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.883 8.130 -4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.490 9.629 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.973 10.419 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.938 9.126 -6.966 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.017 10.337 -6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.590 11.093 -5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.229 12.404 -6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.179 11.879 -8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.286 13.437 -7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.368 12.925 -5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.813 14.048 -6.393 1.00 0.00 H new ATOM 1046 N VAL A 69 4.137 6.838 -4.217 1.00 0.00 N ATOM 1047 CA VAL A 69 4.440 5.547 -3.606 1.00 0.00 C ATOM 1048 C VAL A 69 5.646 5.641 -2.678 1.00 0.00 C ATOM 1049 O VAL A 69 5.582 5.226 -1.521 1.00 0.00 O ATOM 1050 CB VAL A 69 4.733 4.467 -4.663 1.00 0.00 C ATOM 1051 CG1 VAL A 69 4.930 3.111 -4.000 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.623 4.407 -5.699 1.00 0.00 C ATOM 0 H VAL A 69 4.127 6.831 -5.237 1.00 0.00 H new ATOM 0 HA VAL A 69 3.553 5.267 -3.037 1.00 0.00 H new ATOM 0 HB VAL A 69 5.656 4.734 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.136 2.360 -4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.769 3.164 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.026 2.837 -3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.853 3.636 -6.435 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.679 4.169 -5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.539 5.372 -6.199 1.00 0.00 H new ATOM 1062 N ASP A 70 6.747 6.192 -3.191 1.00 0.00 N ATOM 1063 CA ASP A 70 7.968 6.341 -2.397 1.00 0.00 C ATOM 1064 C ASP A 70 7.624 6.938 -1.044 1.00 0.00 C ATOM 1065 O ASP A 70 7.930 6.367 0.003 1.00 0.00 O ATOM 1066 CB ASP A 70 8.985 7.230 -3.117 1.00 0.00 C ATOM 1067 CG ASP A 70 10.361 7.174 -2.481 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.569 6.325 -1.589 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.231 7.977 -2.879 1.00 0.00 O ATOM 0 H ASP A 70 6.819 6.541 -4.147 1.00 0.00 H new ATOM 0 HA ASP A 70 8.415 5.356 -2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.058 6.922 -4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.629 8.260 -3.113 1.00 0.00 H new ATOM 1074 N GLU A 71 6.964 8.086 -1.083 1.00 0.00 N ATOM 1075 CA GLU A 71 6.544 8.771 0.127 1.00 0.00 C ATOM 1076 C GLU A 71 5.854 7.790 1.066 1.00 0.00 C ATOM 1077 O GLU A 71 6.179 7.723 2.249 1.00 0.00 O ATOM 1078 CB GLU A 71 5.622 9.932 -0.241 1.00 0.00 C ATOM 1079 CG GLU A 71 6.354 11.260 -0.396 1.00 0.00 C ATOM 1080 CD GLU A 71 7.529 11.198 -1.360 1.00 0.00 C ATOM 1081 OE1 GLU A 71 7.745 10.137 -1.977 1.00 0.00 O ATOM 1082 OE2 GLU A 71 8.234 12.220 -1.499 1.00 0.00 O ATOM 0 H GLU A 71 6.707 8.564 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 71 7.414 9.174 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.109 9.697 -1.174 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.856 10.035 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.649 12.016 -0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.713 11.584 0.581 1.00 0.00 H new ATOM 1089 N ALA A 72 4.917 7.011 0.527 1.00 0.00 N ATOM 1090 CA ALA A 72 4.198 6.014 1.318 1.00 0.00 C ATOM 1091 C ALA A 72 5.154 5.231 2.203 1.00 0.00 C ATOM 1092 O ALA A 72 4.970 5.131 3.415 1.00 0.00 O ATOM 1093 CB ALA A 72 3.475 5.044 0.396 1.00 0.00 C ATOM 0 H ALA A 72 4.638 7.051 -0.453 1.00 0.00 H new ATOM 0 HA ALA A 72 3.479 6.538 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.942 4.304 0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.764 5.592 -0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.200 4.540 -0.243 1.00 0.00 H new ATOM 1099 N VAL A 73 6.174 4.674 1.573 1.00 0.00 N ATOM 1100 CA VAL A 73 7.172 3.884 2.277 1.00 0.00 C ATOM 1101 C VAL A 73 7.752 4.649 3.462 1.00 0.00 C ATOM 1102 O VAL A 73 7.951 4.085 4.533 1.00 0.00 O ATOM 1103 CB VAL A 73 8.315 3.441 1.336 1.00 0.00 C ATOM 1104 CG1 VAL A 73 9.121 2.313 1.965 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.766 3.021 -0.024 1.00 0.00 C ATOM 0 H VAL A 73 6.334 4.755 0.569 1.00 0.00 H new ATOM 0 HA VAL A 73 6.663 2.994 2.648 1.00 0.00 H new ATOM 0 HB VAL A 73 8.980 4.291 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.921 2.015 1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.552 2.655 2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.468 1.460 2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.589 2.713 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.074 2.188 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.242 3.861 -0.480 1.00 0.00 H new ATOM 1115 N ALA A 74 8.022 5.933 3.271 1.00 0.00 N ATOM 1116 CA ALA A 74 8.579 6.754 4.338 1.00 0.00 C ATOM 1117 C ALA A 74 7.535 7.056 5.412 1.00 0.00 C ATOM 1118 O ALA A 74 7.773 6.832 6.600 1.00 0.00 O ATOM 1119 CB ALA A 74 9.145 8.046 3.771 1.00 0.00 C ATOM 0 H ALA A 74 7.866 6.427 2.392 1.00 0.00 H new ATOM 0 HA ALA A 74 9.386 6.191 4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.557 8.649 4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.932 7.814 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.352 8.603 3.272 1.00 0.00 H new ATOM 1125 N VAL A 75 6.390 7.582 4.987 1.00 0.00 N ATOM 1126 CA VAL A 75 5.310 7.938 5.905 1.00 0.00 C ATOM 1127 C VAL A 75 4.652 6.723 6.547 1.00 0.00 C ATOM 1128 O VAL A 75 4.682 6.559 7.764 1.00 0.00 O ATOM 1129 CB VAL A 75 4.223 8.762 5.196 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.766 8.125 3.891 1.00 0.00 C ATOM 1131 CG2 VAL A 75 3.045 9.026 6.128 1.00 0.00 C ATOM 0 H VAL A 75 6.184 7.773 4.006 1.00 0.00 H new ATOM 0 HA VAL A 75 5.780 8.531 6.690 1.00 0.00 H new ATOM 0 HB VAL A 75 4.671 9.720 4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.998 8.747 3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.615 8.036 3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.357 7.135 4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.290 9.611 5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.613 8.077 6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.389 9.579 7.002 1.00 0.00 H new ATOM 1141 N LEU A 76 4.035 5.897 5.722 1.00 0.00 N ATOM 1142 CA LEU A 76 3.330 4.709 6.214 1.00 0.00 C ATOM 1143 C LEU A 76 4.213 3.896 7.148 1.00 0.00 C ATOM 1144 O LEU A 76 3.824 3.588 8.274 1.00 0.00 O ATOM 1145 CB LEU A 76 2.860 3.834 5.047 1.00 0.00 C ATOM 1146 CG LEU A 76 2.340 2.444 5.437 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.113 2.552 6.322 1.00 0.00 C ATOM 1148 CD2 LEU A 76 2.018 1.634 4.196 1.00 0.00 C ATOM 0 H LEU A 76 4.003 6.019 4.710 1.00 0.00 H new ATOM 0 HA LEU A 76 2.458 5.050 6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.070 4.363 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.689 3.711 4.350 1.00 0.00 H new ATOM 0 HG LEU A 76 3.124 1.935 5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.764 1.553 6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.367 3.098 7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.325 3.083 5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.650 0.651 4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.254 2.149 3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.918 1.520 3.592 1.00 0.00 H new ATOM 1160 N GLN A 77 5.406 3.560 6.683 1.00 0.00 N ATOM 1161 CA GLN A 77 6.333 2.793 7.499 1.00 0.00 C ATOM 1162 C GLN A 77 6.501 3.463 8.865 1.00 0.00 C ATOM 1163 O GLN A 77 6.670 2.795 9.884 1.00 0.00 O ATOM 1164 CB GLN A 77 7.684 2.658 6.801 1.00 0.00 C ATOM 1165 CG GLN A 77 8.527 1.503 7.317 1.00 0.00 C ATOM 1166 CD GLN A 77 8.959 1.689 8.759 1.00 0.00 C ATOM 1167 OE1 GLN A 77 9.773 2.558 9.070 1.00 0.00 O ATOM 1168 NE2 GLN A 77 8.414 0.867 9.648 1.00 0.00 N ATOM 0 H GLN A 77 5.752 3.803 5.755 1.00 0.00 H new ATOM 0 HA GLN A 77 5.926 1.792 7.643 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.519 2.526 5.732 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.241 3.587 6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.959 0.577 7.229 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.411 1.395 6.689 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.743 0.161 9.345 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.666 0.942 10.633 1.00 0.00 H new ATOM 1177 N ALA A 78 6.437 4.798 8.863 1.00 0.00 N ATOM 1178 CA ALA A 78 6.566 5.588 10.087 1.00 0.00 C ATOM 1179 C ALA A 78 5.248 5.646 10.859 1.00 0.00 C ATOM 1180 O ALA A 78 5.193 5.286 12.035 1.00 0.00 O ATOM 1181 CB ALA A 78 7.041 6.997 9.758 1.00 0.00 C ATOM 0 H ALA A 78 6.296 5.355 8.020 1.00 0.00 H new ATOM 0 HA ALA A 78 7.305 5.098 10.721 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.133 7.574 10.678 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.011 6.948 9.262 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.320 7.479 9.098 1.00 0.00 H new ATOM 1187 N HIS A 79 4.188 6.103 10.190 1.00 0.00 N ATOM 1188 CA HIS A 79 2.869 6.211 10.811 1.00 0.00 C ATOM 1189 C HIS A 79 2.203 4.839 10.953 1.00 0.00 C ATOM 1190 O HIS A 79 1.003 4.750 11.213 1.00 0.00 O ATOM 1191 CB HIS A 79 1.971 7.147 9.989 1.00 0.00 C ATOM 1192 CG HIS A 79 1.554 8.384 10.724 1.00 0.00 C ATOM 1193 ND1 HIS A 79 0.588 8.386 11.708 1.00 0.00 N ATOM 1194 CD2 HIS A 79 1.973 9.668 10.614 1.00 0.00 C ATOM 1195 CE1 HIS A 79 0.429 9.614 12.170 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.258 10.410 11.523 1.00 0.00 N ATOM 0 H HIS A 79 4.219 6.405 9.216 1.00 0.00 H new ATOM 0 HA HIS A 79 3.004 6.626 11.810 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.499 7.436 9.080 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.080 6.601 9.680 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.729 10.039 9.937 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.261 9.914 12.944 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.353 11.414 11.673 1.00 0.00 H new ATOM 1536 N LYS B 5 5.278 13.214 4.489 1.00 0.00 N ATOM 1537 CA LYS B 5 5.250 12.728 3.115 1.00 0.00 C ATOM 1538 C LYS B 5 4.004 13.204 2.378 1.00 0.00 C ATOM 1539 O LYS B 5 3.025 13.628 2.993 1.00 0.00 O ATOM 1540 CB LYS B 5 5.301 11.205 3.097 1.00 0.00 C ATOM 1541 CG LYS B 5 6.701 10.635 3.270 1.00 0.00 C ATOM 1542 CD LYS B 5 7.320 11.042 4.598 1.00 0.00 C ATOM 1543 CE LYS B 5 8.404 12.091 4.410 1.00 0.00 C ATOM 1544 NZ LYS B 5 9.440 11.650 3.437 1.00 0.00 N ATOM 0 HA LYS B 5 6.124 13.132 2.604 1.00 0.00 H new ATOM 0 HB2 LYS B 5 4.661 10.820 3.891 1.00 0.00 H new ATOM 0 HB3 LYS B 5 4.888 10.848 2.154 1.00 0.00 H new ATOM 0 HG2 LYS B 5 6.660 9.548 3.207 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.336 10.978 2.453 1.00 0.00 H new ATOM 0 HD2 LYS B 5 6.545 11.433 5.257 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.742 10.165 5.088 1.00 0.00 H new ATOM 0 HE2 LYS B 5 7.953 13.021 4.064 1.00 0.00 H new ATOM 0 HE3 LYS B 5 8.874 12.303 5.370 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.385 11.815 3.838 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.320 10.636 3.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 9.340 12.191 2.554 1.00 0.00 H new ATOM 1558 N LEU B 6 4.048 13.123 1.051 1.00 0.00 N ATOM 1559 CA LEU B 6 2.926 13.531 0.215 1.00 0.00 C ATOM 1560 C LEU B 6 1.746 12.587 0.414 1.00 0.00 C ATOM 1561 O LEU B 6 0.590 13.014 0.437 1.00 0.00 O ATOM 1562 CB LEU B 6 3.332 13.532 -1.265 1.00 0.00 C ATOM 1563 CG LEU B 6 4.546 14.398 -1.618 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.423 13.698 -2.650 1.00 0.00 C ATOM 1565 CD2 LEU B 6 4.098 15.758 -2.139 1.00 0.00 C ATOM 0 H LEU B 6 4.854 12.776 0.531 1.00 0.00 H new ATOM 0 HA LEU B 6 2.634 14.540 0.507 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.540 12.506 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.482 13.872 -1.856 1.00 0.00 H new ATOM 0 HG LEU B 6 5.133 14.549 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.280 14.329 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.773 12.748 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.844 13.516 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.973 16.360 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.488 15.623 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.512 16.266 -1.373 1.00 0.00 H new ATOM 1577 N SER B 7 2.046 11.300 0.569 1.00 0.00 N ATOM 1578 CA SER B 7 1.015 10.297 0.774 1.00 0.00 C ATOM 1579 C SER B 7 0.968 9.858 2.236 1.00 0.00 C ATOM 1580 O SER B 7 1.432 8.770 2.583 1.00 0.00 O ATOM 1581 CB SER B 7 1.277 9.092 -0.127 1.00 0.00 C ATOM 1582 OG SER B 7 2.426 8.379 0.297 1.00 0.00 O ATOM 0 H SER B 7 2.997 10.931 0.556 1.00 0.00 H new ATOM 0 HA SER B 7 0.050 10.735 0.517 1.00 0.00 H new ATOM 0 HB2 SER B 7 0.410 8.431 -0.117 1.00 0.00 H new ATOM 0 HB3 SER B 7 1.411 9.426 -1.156 1.00 0.00 H new ATOM 0 HG SER B 7 2.302 8.079 1.222 1.00 0.00 H new ATOM 1588 N VAL B 8 0.403 10.708 3.093 1.00 0.00 N ATOM 1589 CA VAL B 8 0.296 10.396 4.516 1.00 0.00 C ATOM 1590 C VAL B 8 -0.473 9.094 4.727 1.00 0.00 C ATOM 1591 O VAL B 8 -0.914 8.462 3.766 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.402 11.526 5.302 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.541 12.702 5.501 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.675 11.967 4.595 1.00 0.00 C ATOM 0 H VAL B 8 0.015 11.613 2.828 1.00 0.00 H new ATOM 0 HA VAL B 8 1.313 10.289 4.893 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.677 11.140 6.284 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.030 13.488 6.057 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.418 12.374 6.059 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.852 13.088 4.530 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -2.151 12.764 5.166 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.430 12.332 3.598 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.358 11.121 4.514 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.621 8.687 5.985 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.326 7.451 6.317 1.00 0.00 C ATOM 1606 C ASN B 9 -2.849 7.625 6.260 1.00 0.00 C ATOM 1607 O ASN B 9 -3.548 7.344 7.235 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.910 6.983 7.713 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.260 5.533 7.963 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -0.467 4.635 7.683 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -2.455 5.294 8.490 1.00 0.00 N ATOM 0 H ASN B 9 -0.262 9.196 6.793 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.053 6.702 5.574 1.00 0.00 H new ATOM 0 HB2 ASN B 9 0.164 7.121 7.834 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.398 7.606 8.463 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.747 4.335 8.678 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -3.081 6.069 8.707 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.360 8.105 5.124 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.797 8.332 4.964 1.00 0.00 C ATOM 1620 C ALA B 10 -5.626 7.088 5.304 1.00 0.00 C ATOM 1621 O ALA B 10 -5.078 6.065 5.713 1.00 0.00 O ATOM 1622 CB ALA B 10 -5.089 8.794 3.545 1.00 0.00 C ATOM 0 H ALA B 10 -2.802 8.343 4.304 1.00 0.00 H new ATOM 0 HA ALA B 10 -5.089 9.109 5.670 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -6.160 8.962 3.430 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.553 9.722 3.347 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.764 8.030 2.839 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.969 7.175 5.146 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.894 6.066 5.441 1.00 0.00 C ATOM 1630 C PRO B 11 -7.469 4.751 4.794 1.00 0.00 C ATOM 1631 O PRO B 11 -6.330 4.603 4.363 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.220 6.549 4.851 1.00 0.00 C ATOM 1633 CG PRO B 11 -9.139 8.032 4.934 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.696 8.374 4.680 1.00 0.00 C ATOM 0 HA PRO B 11 -7.935 5.848 6.508 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.343 6.214 3.821 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -10.070 6.165 5.415 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.789 8.502 4.196 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.460 8.388 5.913 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.510 8.571 3.624 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.392 9.266 5.229 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.397 3.802 4.705 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.121 2.515 4.075 1.00 0.00 C ATOM 1644 C GLU B 12 -8.277 2.590 2.558 1.00 0.00 C ATOM 1645 O GLU B 12 -8.491 3.663 1.993 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.045 1.437 4.640 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.396 0.062 4.718 1.00 0.00 C ATOM 1648 CD GLU B 12 -8.636 -0.626 6.047 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -7.865 -0.371 6.995 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -9.594 -1.421 6.136 1.00 0.00 O ATOM 0 H GLU B 12 -9.347 3.901 5.062 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.086 2.254 4.297 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.370 1.734 5.637 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.939 1.374 4.019 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.784 -0.564 3.915 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -7.323 0.162 4.554 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.191 1.430 1.910 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.345 1.354 0.460 1.00 0.00 C ATOM 1659 C PHE B 13 -9.727 0.803 0.102 1.00 0.00 C ATOM 1660 O PHE B 13 -10.053 -0.351 0.380 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.216 0.538 -0.185 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.272 -0.947 0.032 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -7.115 -1.502 1.294 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.464 -1.792 -1.048 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -7.152 -2.873 1.467 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.501 -3.159 -0.878 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.346 -3.700 0.375 1.00 0.00 C ATOM 0 H PHE B 13 -8.016 0.534 2.364 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.270 2.362 0.053 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.223 0.729 -1.258 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.264 0.906 0.198 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.963 -0.858 2.148 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.586 -1.374 -2.036 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -7.030 -3.298 2.452 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.652 -3.805 -1.730 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.376 -4.771 0.508 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.528 1.665 -0.529 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.884 1.325 -0.960 1.00 0.00 C ATOM 1679 C TYR B 14 -12.018 1.421 -2.486 1.00 0.00 C ATOM 1680 O TYR B 14 -11.123 1.936 -3.156 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.894 2.254 -0.277 1.00 0.00 C ATOM 1682 CG TYR B 14 -12.396 3.671 -0.102 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.310 4.535 -1.188 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -12.019 4.150 1.148 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -11.862 5.832 -1.034 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -11.569 5.447 1.308 1.00 0.00 C ATOM 1687 CZ TYR B 14 -11.493 6.284 0.214 1.00 0.00 C ATOM 1688 OH TYR B 14 -11.051 7.577 0.371 1.00 0.00 O ATOM 0 H TYR B 14 -10.253 2.621 -0.755 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.091 0.295 -0.670 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -13.813 2.271 -0.863 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.148 1.844 0.701 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -12.598 4.186 -2.168 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -12.079 3.498 2.007 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -11.801 6.490 -1.889 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -11.278 5.804 2.285 1.00 0.00 H new ATOM 0 HH TYR B 14 -10.832 7.736 1.313 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.145 0.944 -3.059 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.381 1.003 -4.512 1.00 0.00 C ATOM 1700 C PRO B 15 -13.386 2.433 -5.054 1.00 0.00 C ATOM 1701 O PRO B 15 -14.414 3.119 -5.043 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.764 0.379 -4.687 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.395 0.430 -3.338 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.272 0.317 -2.349 1.00 0.00 C ATOM 0 HA PRO B 15 -12.590 0.489 -5.058 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.355 0.931 -5.418 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.689 -0.647 -5.047 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -15.944 1.361 -3.200 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.110 -0.383 -3.211 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.501 0.834 -1.417 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.061 -0.722 -2.094 1.00 0.00 H new ATOM 1712 N SER B 16 -12.234 2.866 -5.542 1.00 0.00 N ATOM 1713 CA SER B 16 -12.079 4.203 -6.099 1.00 0.00 C ATOM 1714 C SER B 16 -13.133 4.488 -7.162 1.00 0.00 C ATOM 1715 O SER B 16 -14.044 5.289 -6.950 1.00 0.00 O ATOM 1716 CB SER B 16 -10.680 4.342 -6.683 1.00 0.00 C ATOM 1717 OG SER B 16 -10.613 3.830 -7.999 1.00 0.00 O ATOM 0 H SER B 16 -11.383 2.304 -5.564 1.00 0.00 H new ATOM 0 HA SER B 16 -12.217 4.933 -5.301 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.389 5.392 -6.685 1.00 0.00 H new ATOM 0 HB3 SER B 16 -9.967 3.815 -6.050 1.00 0.00 H new ATOM 0 HG SER B 16 -9.678 3.803 -8.292 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.006 3.822 -8.300 1.00 0.00 N ATOM 1724 CA GLY B 17 -13.953 4.004 -9.378 1.00 0.00 C ATOM 1725 C GLY B 17 -15.194 3.164 -9.182 1.00 0.00 C ATOM 1726 O GLY B 17 -15.582 2.401 -10.069 1.00 0.00 O ATOM 0 H GLY B 17 -12.259 3.155 -8.496 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.232 5.056 -9.443 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.481 3.740 -10.325 1.00 0.00 H new ATOM 1730 N TYR B 18 -15.837 3.324 -8.030 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.059 2.592 -7.734 1.00 0.00 C ATOM 1732 C TYR B 18 -18.185 3.078 -8.639 1.00 0.00 C ATOM 1733 O TYR B 18 -18.200 4.239 -9.047 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.438 2.795 -6.267 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.107 1.597 -5.635 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.556 0.327 -5.750 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.291 1.739 -4.924 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.168 -0.769 -5.170 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -19.910 0.650 -4.345 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.346 -0.602 -4.471 1.00 0.00 C ATOM 1741 OH TYR B 18 -19.961 -1.689 -3.896 1.00 0.00 O ATOM 0 H TYR B 18 -15.531 3.954 -7.288 1.00 0.00 H new ATOM 0 HA TYR B 18 -16.896 1.530 -7.915 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.539 3.038 -5.700 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.105 3.654 -6.190 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.636 0.194 -6.300 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -19.735 2.718 -4.822 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.726 -1.750 -5.264 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -20.831 0.778 -3.796 1.00 0.00 H new ATOM 0 HH TYR B 18 -20.779 -1.399 -3.440 1.00 0.00 H new