USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 914 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 95 MET CE :methyl -117:sc= -0.0463 (180deg=-0.199) USER MOD Set 1.2: A 99 TYR OH : rot 30:sc= -0.0425 USER MOD Set 2.1: A 81 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 112 GLN : amide:sc= -2.72! C(o=-2.7!,f=-3.8!) USER MOD Set 3.1: A 38 THR OG1 : rot 18:sc= 0.746 USER MOD Set 3.2: A 41 SER OG : rot -121:sc= 1.75 USER MOD Single : A 9 THR OG1 : rot 111:sc= 0.779 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.16) USER MOD Single : A 21 GLN : amide:sc= -0.294 K(o=-0.29,f=-3!) USER MOD Single : A 27 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.4) USER MOD Single : A 28 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.82) USER MOD Single : A 31 SER OG : rot -65:sc= 0.605 USER MOD Single : A 36 THR OG1 : rot -64:sc= 1.12 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.448 K(o=-0.45,f=-3.8!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 164:sc= -2.68 (180deg=-3.02) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0713 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0326 X(o=-0.033,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= -0.231 (180deg=-1.25!) USER MOD Single : A 66 THR OG1 : rot 80:sc= 0.301 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 60:sc= 1.3 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.121 USER MOD Single : A 84 THR OG1 : rot 75:sc= 0.635 USER MOD Single : A 87 CYS SG : rot -74:sc= -10.1! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 140:sc= -0.0722 (180deg=-0.647) USER MOD Single : A 93 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 151:sc= -0.0897 (180deg=-0.623) USER MOD Single : A 102 THR OG1 : rot 79:sc= 0.348 USER MOD Single : A 117 LYS NZ :NH3+ -147:sc= 1.79 (180deg=-0.457) USER MOD Single : A 118 SER OG : rot 62:sc=-0.00305 USER MOD Single : A 119 MET CE :methyl -171:sc= 0 (180deg=-0.129) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 8 9.524 6.184 -5.593 1.00 0.67 N ATOM 129 CA PRO A 8 9.173 5.397 -6.796 1.00 0.58 C ATOM 130 C PRO A 8 7.818 5.859 -7.358 1.00 0.52 C ATOM 131 O PRO A 8 7.044 6.512 -6.687 1.00 0.58 O ATOM 132 CB PRO A 8 9.105 3.928 -6.309 1.00 0.62 C ATOM 133 CG PRO A 8 9.370 3.932 -4.776 1.00 0.71 C ATOM 134 CD PRO A 8 9.738 5.376 -4.370 1.00 0.75 C ATOM 0 HA PRO A 8 9.899 5.519 -7.600 1.00 0.58 H new ATOM 0 HB2 PRO A 8 8.129 3.496 -6.528 1.00 0.62 H new ATOM 0 HB3 PRO A 8 9.847 3.318 -6.825 1.00 0.62 H new ATOM 0 HG2 PRO A 8 8.487 3.595 -4.234 1.00 0.71 H new ATOM 0 HG3 PRO A 8 10.179 3.246 -4.525 1.00 0.71 H new ATOM 0 HD2 PRO A 8 9.112 5.727 -3.550 1.00 0.75 H new ATOM 0 HD3 PRO A 8 10.772 5.439 -4.031 1.00 0.75 H new ATOM 142 N THR A 9 7.532 5.515 -8.587 1.00 0.48 N ATOM 143 CA THR A 9 6.234 5.919 -9.207 1.00 0.46 C ATOM 144 C THR A 9 5.170 4.868 -8.877 1.00 0.43 C ATOM 145 O THR A 9 5.476 3.726 -8.601 1.00 0.44 O ATOM 146 CB THR A 9 6.412 6.001 -10.736 1.00 0.47 C ATOM 147 OG1 THR A 9 7.404 5.068 -11.140 1.00 0.72 O ATOM 148 CG2 THR A 9 6.849 7.408 -11.142 1.00 0.73 C ATOM 0 H THR A 9 8.145 4.968 -9.192 1.00 0.48 H new ATOM 0 HA THR A 9 5.923 6.889 -8.819 1.00 0.46 H new ATOM 0 HB THR A 9 5.462 5.771 -11.219 1.00 0.47 H new ATOM 0 HG1 THR A 9 6.985 4.347 -11.654 1.00 0.72 H new ATOM 0 HG21 THR A 9 6.971 7.453 -12.224 1.00 0.73 H new ATOM 0 HG22 THR A 9 6.091 8.128 -10.832 1.00 0.73 H new ATOM 0 HG23 THR A 9 7.796 7.648 -10.660 1.00 0.73 H new ATOM 156 N LEU A 10 3.919 5.241 -8.922 1.00 0.41 N ATOM 157 CA LEU A 10 2.850 4.250 -8.630 1.00 0.40 C ATOM 158 C LEU A 10 2.775 3.260 -9.790 1.00 0.39 C ATOM 159 O LEU A 10 2.416 2.114 -9.615 1.00 0.39 O ATOM 160 CB LEU A 10 1.500 4.961 -8.465 1.00 0.41 C ATOM 161 CG LEU A 10 0.360 3.928 -8.370 1.00 0.37 C ATOM 162 CD1 LEU A 10 0.659 2.910 -7.259 1.00 0.41 C ATOM 163 CD2 LEU A 10 -0.955 4.650 -8.052 1.00 0.41 C ATOM 0 H LEU A 10 3.595 6.182 -9.147 1.00 0.41 H new ATOM 0 HA LEU A 10 3.079 3.724 -7.703 1.00 0.40 H new ATOM 0 HB2 LEU A 10 1.515 5.580 -7.568 1.00 0.41 H new ATOM 0 HB3 LEU A 10 1.327 5.628 -9.310 1.00 0.41 H new ATOM 0 HG LEU A 10 0.276 3.404 -9.322 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -0.153 2.185 -7.201 1.00 0.41 H new ATOM 0 HD12 LEU A 10 1.592 2.392 -7.481 1.00 0.41 H new ATOM 0 HD13 LEU A 10 0.751 3.429 -6.305 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -1.763 3.921 -7.984 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -0.861 5.176 -7.102 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -1.177 5.366 -8.843 1.00 0.41 H new ATOM 175 N LYS A 11 3.119 3.667 -10.981 1.00 0.42 N ATOM 176 CA LYS A 11 3.059 2.715 -12.116 1.00 0.44 C ATOM 177 C LYS A 11 4.014 1.556 -11.847 1.00 0.43 C ATOM 178 O LYS A 11 3.786 0.442 -12.272 1.00 0.45 O ATOM 179 CB LYS A 11 3.475 3.444 -13.403 1.00 0.49 C ATOM 180 CG LYS A 11 3.680 2.433 -14.537 1.00 0.83 C ATOM 181 CD LYS A 11 3.738 3.168 -15.878 1.00 0.98 C ATOM 182 CE LYS A 11 4.168 2.194 -16.977 1.00 1.64 C ATOM 183 NZ LYS A 11 3.978 2.831 -18.311 1.00 2.31 N ATOM 0 H LYS A 11 3.435 4.609 -11.212 1.00 0.42 H new ATOM 0 HA LYS A 11 2.046 2.329 -12.229 1.00 0.44 H new ATOM 0 HB2 LYS A 11 2.710 4.168 -13.684 1.00 0.49 H new ATOM 0 HB3 LYS A 11 4.395 4.003 -13.233 1.00 0.49 H new ATOM 0 HG2 LYS A 11 4.602 1.874 -14.377 1.00 0.83 H new ATOM 0 HG3 LYS A 11 2.866 1.709 -14.543 1.00 0.83 H new ATOM 0 HD2 LYS A 11 2.762 3.592 -16.115 1.00 0.98 H new ATOM 0 HD3 LYS A 11 4.441 3.999 -15.819 1.00 0.98 H new ATOM 0 HE2 LYS A 11 5.213 1.915 -16.841 1.00 1.64 H new ATOM 0 HE3 LYS A 11 3.582 1.277 -16.914 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 4.271 2.168 -19.057 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 2.975 3.076 -18.439 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 4.555 3.694 -18.369 1.00 2.31 H new ATOM 197 N ASP A 12 5.096 1.810 -11.162 1.00 0.43 N ATOM 198 CA ASP A 12 6.062 0.713 -10.901 1.00 0.45 C ATOM 199 C ASP A 12 5.347 -0.435 -10.181 1.00 0.44 C ATOM 200 O ASP A 12 5.772 -1.574 -10.222 1.00 0.46 O ATOM 201 CB ASP A 12 7.204 1.235 -10.026 1.00 0.48 C ATOM 202 CG ASP A 12 8.013 2.268 -10.812 1.00 1.16 C ATOM 203 OD1 ASP A 12 7.527 2.715 -11.838 1.00 1.94 O ATOM 204 OD2 ASP A 12 9.105 2.593 -10.376 1.00 1.88 O ATOM 0 H ASP A 12 5.348 2.720 -10.777 1.00 0.43 H new ATOM 0 HA ASP A 12 6.467 0.352 -11.846 1.00 0.45 H new ATOM 0 HB2 ASP A 12 6.804 1.685 -9.117 1.00 0.48 H new ATOM 0 HB3 ASP A 12 7.847 0.411 -9.718 1.00 0.48 H new ATOM 209 N ALA A 13 4.266 -0.133 -9.501 1.00 0.43 N ATOM 210 CA ALA A 13 3.526 -1.192 -8.755 1.00 0.45 C ATOM 211 C ALA A 13 2.985 -2.247 -9.724 1.00 0.49 C ATOM 212 O ALA A 13 2.914 -3.416 -9.402 1.00 0.57 O ATOM 213 CB ALA A 13 2.362 -0.551 -7.996 1.00 0.44 C ATOM 0 H ALA A 13 3.867 0.803 -9.432 1.00 0.43 H new ATOM 0 HA ALA A 13 4.206 -1.676 -8.054 1.00 0.45 H new ATOM 0 HB1 ALA A 13 1.817 -1.320 -7.449 1.00 0.44 H new ATOM 0 HB2 ALA A 13 2.748 0.189 -7.295 1.00 0.44 H new ATOM 0 HB3 ALA A 13 1.690 -0.064 -8.703 1.00 0.44 H new ATOM 219 N TYR A 14 2.595 -1.847 -10.903 1.00 0.54 N ATOM 220 CA TYR A 14 2.052 -2.834 -11.883 1.00 0.60 C ATOM 221 C TYR A 14 3.208 -3.577 -12.565 1.00 0.67 C ATOM 222 O TYR A 14 3.054 -4.127 -13.638 1.00 1.15 O ATOM 223 CB TYR A 14 1.228 -2.098 -12.942 1.00 0.61 C ATOM 224 CG TYR A 14 -0.044 -1.560 -12.325 1.00 0.58 C ATOM 225 CD1 TYR A 14 -1.164 -2.390 -12.190 1.00 1.32 C ATOM 226 CD2 TYR A 14 -0.105 -0.228 -11.896 1.00 1.37 C ATOM 227 CE1 TYR A 14 -2.344 -1.888 -11.626 1.00 1.33 C ATOM 228 CE2 TYR A 14 -1.286 0.274 -11.334 1.00 1.41 C ATOM 229 CZ TYR A 14 -2.405 -0.556 -11.199 1.00 0.70 C ATOM 230 OH TYR A 14 -3.570 -0.061 -10.647 1.00 0.82 O ATOM 0 H TYR A 14 2.628 -0.882 -11.231 1.00 0.54 H new ATOM 0 HA TYR A 14 1.421 -3.552 -11.359 1.00 0.60 H new ATOM 0 HB2 TYR A 14 1.811 -1.280 -13.365 1.00 0.61 H new ATOM 0 HB3 TYR A 14 0.987 -2.774 -13.762 1.00 0.61 H new ATOM 0 HD1 TYR A 14 -1.118 -3.417 -12.521 1.00 1.32 H new ATOM 0 HD2 TYR A 14 0.759 0.412 -11.999 1.00 1.37 H new ATOM 0 HE1 TYR A 14 -3.207 -2.529 -11.521 1.00 1.33 H new ATOM 0 HE2 TYR A 14 -1.333 1.302 -11.005 1.00 1.41 H new ATOM 0 HH TYR A 14 -3.443 0.880 -10.403 1.00 0.82 H new ATOM 240 N GLU A 15 4.362 -3.602 -11.944 1.00 0.57 N ATOM 241 CA GLU A 15 5.547 -4.310 -12.533 1.00 0.60 C ATOM 242 C GLU A 15 5.873 -5.539 -11.658 1.00 0.53 C ATOM 243 O GLU A 15 6.469 -5.379 -10.611 1.00 0.57 O ATOM 244 CB GLU A 15 6.743 -3.355 -12.517 1.00 0.68 C ATOM 245 CG GLU A 15 7.873 -3.929 -13.376 1.00 0.89 C ATOM 246 CD GLU A 15 7.482 -3.857 -14.854 1.00 1.59 C ATOM 247 OE1 GLU A 15 6.980 -2.823 -15.264 1.00 2.32 O ATOM 248 OE2 GLU A 15 7.694 -4.836 -15.551 1.00 2.12 O ATOM 0 H GLU A 15 4.538 -3.157 -11.043 1.00 0.57 H new ATOM 0 HA GLU A 15 5.333 -4.625 -13.554 1.00 0.60 H new ATOM 0 HB2 GLU A 15 6.445 -2.378 -12.896 1.00 0.68 H new ATOM 0 HB3 GLU A 15 7.090 -3.208 -11.494 1.00 0.68 H new ATOM 0 HG2 GLU A 15 8.793 -3.370 -13.205 1.00 0.89 H new ATOM 0 HG3 GLU A 15 8.070 -4.963 -13.092 1.00 0.89 H new ATOM 255 N PRO A 16 5.459 -6.730 -12.063 1.00 0.51 N ATOM 256 CA PRO A 16 5.708 -7.934 -11.248 1.00 0.48 C ATOM 257 C PRO A 16 7.215 -8.215 -11.076 1.00 0.51 C ATOM 258 O PRO A 16 8.040 -7.892 -11.906 1.00 0.76 O ATOM 259 CB PRO A 16 4.996 -9.086 -11.995 1.00 0.53 C ATOM 260 CG PRO A 16 4.323 -8.476 -13.258 1.00 0.64 C ATOM 261 CD PRO A 16 4.721 -6.984 -13.322 1.00 0.60 C ATOM 0 HA PRO A 16 5.326 -7.812 -10.234 1.00 0.48 H new ATOM 0 HB2 PRO A 16 5.710 -9.860 -12.277 1.00 0.53 H new ATOM 0 HB3 PRO A 16 4.252 -9.557 -11.353 1.00 0.53 H new ATOM 0 HG2 PRO A 16 4.650 -8.999 -14.157 1.00 0.64 H new ATOM 0 HG3 PRO A 16 3.239 -8.582 -13.204 1.00 0.64 H new ATOM 0 HD2 PRO A 16 5.344 -6.779 -14.193 1.00 0.60 H new ATOM 0 HD3 PRO A 16 3.842 -6.344 -13.400 1.00 0.60 H new ATOM 269 N LEU A 17 7.529 -8.838 -9.980 1.00 0.63 N ATOM 270 CA LEU A 17 8.925 -9.224 -9.618 1.00 0.74 C ATOM 271 C LEU A 17 9.122 -10.731 -9.832 1.00 0.79 C ATOM 272 O LEU A 17 8.181 -11.500 -9.874 1.00 1.03 O ATOM 273 CB LEU A 17 9.126 -8.888 -8.123 1.00 0.79 C ATOM 274 CG LEU A 17 9.696 -7.456 -7.976 1.00 1.26 C ATOM 275 CD1 LEU A 17 9.674 -7.054 -6.501 1.00 1.12 C ATOM 276 CD2 LEU A 17 11.147 -7.381 -8.518 1.00 2.28 C ATOM 0 H LEU A 17 6.838 -9.111 -9.281 1.00 0.63 H new ATOM 0 HA LEU A 17 9.643 -8.688 -10.239 1.00 0.74 H new ATOM 0 HB2 LEU A 17 8.177 -8.967 -7.593 1.00 0.79 H new ATOM 0 HB3 LEU A 17 9.806 -9.608 -7.668 1.00 0.79 H new ATOM 0 HG LEU A 17 9.078 -6.771 -8.557 1.00 1.26 H new ATOM 0 HD11 LEU A 17 10.075 -6.046 -6.393 1.00 1.12 H new ATOM 0 HD12 LEU A 17 8.648 -7.078 -6.132 1.00 1.12 H new ATOM 0 HD13 LEU A 17 10.283 -7.750 -5.925 1.00 1.12 H new ATOM 0 HD21 LEU A 17 11.526 -6.365 -8.404 1.00 2.28 H new ATOM 0 HD22 LEU A 17 11.780 -8.070 -7.959 1.00 2.28 H new ATOM 0 HD23 LEU A 17 11.156 -7.655 -9.573 1.00 2.28 H new ATOM 288 N TYR A 18 10.356 -11.144 -9.975 1.00 0.78 N ATOM 289 CA TYR A 18 10.668 -12.591 -10.196 1.00 0.88 C ATOM 290 C TYR A 18 10.790 -13.288 -8.820 1.00 0.76 C ATOM 291 O TYR A 18 11.040 -12.622 -7.834 1.00 0.63 O ATOM 292 CB TYR A 18 12.003 -12.696 -10.973 1.00 1.09 C ATOM 293 CG TYR A 18 12.225 -11.435 -11.783 1.00 0.78 C ATOM 294 CD1 TYR A 18 11.195 -10.936 -12.590 1.00 1.46 C ATOM 295 CD2 TYR A 18 13.455 -10.766 -11.726 1.00 1.41 C ATOM 296 CE1 TYR A 18 11.395 -9.770 -13.340 1.00 1.64 C ATOM 297 CE2 TYR A 18 13.655 -9.601 -12.476 1.00 1.67 C ATOM 298 CZ TYR A 18 12.625 -9.102 -13.283 1.00 1.40 C ATOM 299 OH TYR A 18 12.822 -7.954 -14.024 1.00 1.95 O ATOM 0 H TYR A 18 11.172 -10.532 -9.948 1.00 0.78 H new ATOM 0 HA TYR A 18 9.879 -13.074 -10.772 1.00 0.88 H new ATOM 0 HB2 TYR A 18 12.829 -12.842 -10.277 1.00 1.09 H new ATOM 0 HB3 TYR A 18 11.984 -13.564 -11.632 1.00 1.09 H new ATOM 0 HD1 TYR A 18 10.246 -11.450 -12.634 1.00 1.46 H new ATOM 0 HD2 TYR A 18 14.249 -11.150 -11.103 1.00 1.41 H new ATOM 0 HE1 TYR A 18 10.601 -9.386 -13.963 1.00 1.64 H new ATOM 0 HE2 TYR A 18 14.604 -9.087 -12.432 1.00 1.67 H new ATOM 0 HH TYR A 18 13.729 -7.616 -13.869 1.00 1.95 H new ATOM 309 N PRO A 19 10.622 -14.600 -8.769 1.00 0.88 N ATOM 310 CA PRO A 19 10.732 -15.331 -7.490 1.00 0.87 C ATOM 311 C PRO A 19 12.129 -15.129 -6.879 1.00 0.80 C ATOM 312 O PRO A 19 12.318 -15.264 -5.687 1.00 0.77 O ATOM 313 CB PRO A 19 10.488 -16.817 -7.853 1.00 1.11 C ATOM 314 CG PRO A 19 10.263 -16.893 -9.391 1.00 1.24 C ATOM 315 CD PRO A 19 10.311 -15.450 -9.943 1.00 1.09 C ATOM 0 HA PRO A 19 10.017 -14.979 -6.747 1.00 0.87 H new ATOM 0 HB2 PRO A 19 11.342 -17.428 -7.560 1.00 1.11 H new ATOM 0 HB3 PRO A 19 9.620 -17.204 -7.319 1.00 1.11 H new ATOM 0 HG2 PRO A 19 11.031 -17.508 -9.860 1.00 1.24 H new ATOM 0 HG3 PRO A 19 9.302 -17.357 -9.615 1.00 1.24 H new ATOM 0 HD2 PRO A 19 11.072 -15.348 -10.716 1.00 1.09 H new ATOM 0 HD3 PRO A 19 9.359 -15.168 -10.393 1.00 1.09 H new ATOM 323 N GLN A 20 13.109 -14.822 -7.687 1.00 0.80 N ATOM 324 CA GLN A 20 14.487 -14.631 -7.140 1.00 0.77 C ATOM 325 C GLN A 20 14.590 -13.264 -6.460 1.00 0.68 C ATOM 326 O GLN A 20 15.139 -13.136 -5.383 1.00 0.67 O ATOM 327 CB GLN A 20 15.514 -14.715 -8.273 1.00 0.85 C ATOM 328 CG GLN A 20 15.307 -16.008 -9.063 1.00 1.41 C ATOM 329 CD GLN A 20 15.539 -17.213 -8.149 1.00 1.86 C ATOM 330 OE1 GLN A 20 16.658 -17.653 -7.978 1.00 2.60 O ATOM 331 NE2 GLN A 20 14.521 -17.768 -7.552 1.00 2.30 N ATOM 0 H GLN A 20 13.018 -14.696 -8.695 1.00 0.80 H new ATOM 0 HA GLN A 20 14.690 -15.415 -6.410 1.00 0.77 H new ATOM 0 HB2 GLN A 20 15.412 -13.854 -8.933 1.00 0.85 H new ATOM 0 HB3 GLN A 20 16.524 -14.685 -7.864 1.00 0.85 H new ATOM 0 HG2 GLN A 20 14.297 -16.038 -9.472 1.00 1.41 H new ATOM 0 HG3 GLN A 20 15.994 -16.043 -9.909 1.00 1.41 H new ATOM 0 HE21 GLN A 20 13.581 -17.398 -7.696 1.00 2.30 H new ATOM 0 HE22 GLN A 20 14.664 -18.572 -6.941 1.00 2.30 H new ATOM 340 N GLN A 21 14.070 -12.241 -7.079 1.00 0.64 N ATOM 341 CA GLN A 21 14.140 -10.882 -6.470 1.00 0.59 C ATOM 342 C GLN A 21 13.447 -10.893 -5.104 1.00 0.50 C ATOM 343 O GLN A 21 13.893 -10.261 -4.166 1.00 0.47 O ATOM 344 CB GLN A 21 13.431 -9.885 -7.392 1.00 0.64 C ATOM 345 CG GLN A 21 14.337 -9.535 -8.580 1.00 1.02 C ATOM 346 CD GLN A 21 15.401 -8.524 -8.143 1.00 1.57 C ATOM 347 OE1 GLN A 21 15.598 -8.301 -6.965 1.00 2.34 O ATOM 348 NE2 GLN A 21 16.098 -7.897 -9.051 1.00 1.94 N ATOM 0 H GLN A 21 13.598 -12.287 -7.982 1.00 0.64 H new ATOM 0 HA GLN A 21 15.183 -10.592 -6.342 1.00 0.59 H new ATOM 0 HB2 GLN A 21 12.494 -10.312 -7.751 1.00 0.64 H new ATOM 0 HB3 GLN A 21 13.178 -8.981 -6.838 1.00 0.64 H new ATOM 0 HG2 GLN A 21 14.815 -10.437 -8.962 1.00 1.02 H new ATOM 0 HG3 GLN A 21 13.741 -9.121 -9.393 1.00 1.02 H new ATOM 0 HE21 GLN A 21 15.933 -8.084 -10.040 1.00 1.94 H new ATOM 0 HE22 GLN A 21 16.808 -7.220 -8.772 1.00 1.94 H new ATOM 357 N LEU A 22 12.357 -11.599 -4.986 1.00 0.52 N ATOM 358 CA LEU A 22 11.635 -11.639 -3.686 1.00 0.46 C ATOM 359 C LEU A 22 12.442 -12.451 -2.668 1.00 0.42 C ATOM 360 O LEU A 22 12.474 -12.128 -1.495 1.00 0.40 O ATOM 361 CB LEU A 22 10.261 -12.283 -3.897 1.00 0.52 C ATOM 362 CG LEU A 22 9.439 -12.238 -2.600 1.00 0.59 C ATOM 363 CD1 LEU A 22 9.090 -10.784 -2.229 1.00 0.52 C ATOM 364 CD2 LEU A 22 8.153 -13.040 -2.814 1.00 0.93 C ATOM 0 H LEU A 22 11.936 -12.150 -5.734 1.00 0.52 H new ATOM 0 HA LEU A 22 11.508 -10.626 -3.305 1.00 0.46 H new ATOM 0 HB2 LEU A 22 9.727 -11.761 -4.691 1.00 0.52 H new ATOM 0 HB3 LEU A 22 10.383 -13.317 -4.221 1.00 0.52 H new ATOM 0 HG LEU A 22 10.022 -12.666 -1.785 1.00 0.59 H new ATOM 0 HD11 LEU A 22 8.508 -10.773 -1.308 1.00 0.52 H new ATOM 0 HD12 LEU A 22 10.008 -10.215 -2.085 1.00 0.52 H new ATOM 0 HD13 LEU A 22 8.507 -10.334 -3.032 1.00 0.52 H new ATOM 0 HD21 LEU A 22 7.556 -13.020 -1.903 1.00 0.93 H new ATOM 0 HD22 LEU A 22 7.582 -12.601 -3.632 1.00 0.93 H new ATOM 0 HD23 LEU A 22 8.404 -14.072 -3.060 1.00 0.93 H new ATOM 376 N GLU A 23 13.091 -13.506 -3.091 1.00 0.44 N ATOM 377 CA GLU A 23 13.874 -14.319 -2.114 1.00 0.42 C ATOM 378 C GLU A 23 15.176 -13.588 -1.778 1.00 0.38 C ATOM 379 O GLU A 23 15.710 -13.720 -0.694 1.00 0.37 O ATOM 380 CB GLU A 23 14.184 -15.698 -2.702 1.00 0.47 C ATOM 381 CG GLU A 23 12.898 -16.519 -2.800 1.00 1.13 C ATOM 382 CD GLU A 23 13.160 -17.779 -3.627 1.00 1.66 C ATOM 383 OE1 GLU A 23 13.540 -17.641 -4.778 1.00 2.28 O ATOM 384 OE2 GLU A 23 12.979 -18.862 -3.094 1.00 2.30 O ATOM 0 H GLU A 23 13.113 -13.836 -4.056 1.00 0.44 H new ATOM 0 HA GLU A 23 13.287 -14.454 -1.205 1.00 0.42 H new ATOM 0 HB2 GLU A 23 14.634 -15.590 -3.689 1.00 0.47 H new ATOM 0 HB3 GLU A 23 14.910 -16.216 -2.076 1.00 0.47 H new ATOM 0 HG2 GLU A 23 12.550 -16.791 -1.803 1.00 1.13 H new ATOM 0 HG3 GLU A 23 12.109 -15.925 -3.262 1.00 1.13 H new ATOM 391 N ILE A 24 15.691 -12.813 -2.695 1.00 0.39 N ATOM 392 CA ILE A 24 16.950 -12.073 -2.418 1.00 0.39 C ATOM 393 C ILE A 24 16.713 -11.146 -1.216 1.00 0.36 C ATOM 394 O ILE A 24 17.428 -11.190 -0.235 1.00 0.37 O ATOM 395 CB ILE A 24 17.323 -11.262 -3.675 1.00 0.44 C ATOM 396 CG1 ILE A 24 18.014 -12.185 -4.696 1.00 0.52 C ATOM 397 CG2 ILE A 24 18.264 -10.109 -3.312 1.00 0.48 C ATOM 398 CD1 ILE A 24 17.987 -11.551 -6.096 1.00 0.89 C ATOM 0 H ILE A 24 15.293 -12.662 -3.622 1.00 0.39 H new ATOM 0 HA ILE A 24 17.768 -12.753 -2.182 1.00 0.39 H new ATOM 0 HB ILE A 24 16.412 -10.848 -4.107 1.00 0.44 H new ATOM 0 HG12 ILE A 24 19.045 -12.367 -4.392 1.00 0.52 H new ATOM 0 HG13 ILE A 24 17.513 -13.153 -4.718 1.00 0.52 H new ATOM 0 HG21 ILE A 24 18.516 -9.548 -4.212 1.00 0.48 H new ATOM 0 HG22 ILE A 24 17.771 -9.448 -2.599 1.00 0.48 H new ATOM 0 HG23 ILE A 24 19.175 -10.509 -2.867 1.00 0.48 H new ATOM 0 HD11 ILE A 24 18.479 -12.216 -6.806 1.00 0.89 H new ATOM 0 HD12 ILE A 24 16.953 -11.393 -6.404 1.00 0.89 H new ATOM 0 HD13 ILE A 24 18.509 -10.595 -6.072 1.00 0.89 H new ATOM 410 N LEU A 25 15.718 -10.306 -1.291 1.00 0.34 N ATOM 411 CA LEU A 25 15.441 -9.379 -0.156 1.00 0.34 C ATOM 412 C LEU A 25 15.282 -10.192 1.134 1.00 0.32 C ATOM 413 O LEU A 25 15.712 -9.784 2.194 1.00 0.34 O ATOM 414 CB LEU A 25 14.149 -8.600 -0.425 1.00 0.36 C ATOM 415 CG LEU A 25 14.349 -7.624 -1.595 1.00 0.38 C ATOM 416 CD1 LEU A 25 12.985 -7.082 -2.032 1.00 0.44 C ATOM 417 CD2 LEU A 25 15.259 -6.451 -1.174 1.00 0.41 C ATOM 0 H LEU A 25 15.086 -10.221 -2.087 1.00 0.34 H new ATOM 0 HA LEU A 25 16.270 -8.678 -0.052 1.00 0.34 H new ATOM 0 HB2 LEU A 25 13.340 -9.293 -0.655 1.00 0.36 H new ATOM 0 HB3 LEU A 25 13.854 -8.051 0.469 1.00 0.36 H new ATOM 0 HG LEU A 25 14.825 -8.152 -2.421 1.00 0.38 H new ATOM 0 HD11 LEU A 25 13.118 -6.388 -2.862 1.00 0.44 H new ATOM 0 HD12 LEU A 25 12.349 -7.909 -2.348 1.00 0.44 H new ATOM 0 HD13 LEU A 25 12.515 -6.562 -1.197 1.00 0.44 H new ATOM 0 HD21 LEU A 25 15.389 -5.771 -2.016 1.00 0.41 H new ATOM 0 HD22 LEU A 25 14.801 -5.916 -0.342 1.00 0.41 H new ATOM 0 HD23 LEU A 25 16.231 -6.837 -0.866 1.00 0.41 H new ATOM 429 N ARG A 26 14.668 -11.341 1.049 1.00 0.31 N ATOM 430 CA ARG A 26 14.478 -12.184 2.262 1.00 0.33 C ATOM 431 C ARG A 26 15.841 -12.653 2.773 1.00 0.31 C ATOM 432 O ARG A 26 16.040 -12.836 3.957 1.00 0.32 O ATOM 433 CB ARG A 26 13.609 -13.396 1.913 1.00 0.38 C ATOM 434 CG ARG A 26 13.095 -14.046 3.199 1.00 0.69 C ATOM 435 CD ARG A 26 12.230 -15.259 2.850 1.00 1.00 C ATOM 436 NE ARG A 26 11.153 -14.849 1.904 1.00 1.36 N ATOM 437 CZ ARG A 26 10.490 -15.756 1.240 1.00 1.86 C ATOM 438 NH1 ARG A 26 10.768 -17.020 1.405 1.00 2.36 N ATOM 439 NH2 ARG A 26 9.547 -15.398 0.410 1.00 2.46 N ATOM 0 H ARG A 26 14.288 -11.733 0.187 1.00 0.31 H new ATOM 0 HA ARG A 26 13.983 -11.601 3.038 1.00 0.33 H new ATOM 0 HB2 ARG A 26 12.770 -13.087 1.289 1.00 0.38 H new ATOM 0 HB3 ARG A 26 14.188 -14.117 1.335 1.00 0.38 H new ATOM 0 HG2 ARG A 26 13.934 -14.352 3.824 1.00 0.69 H new ATOM 0 HG3 ARG A 26 12.514 -13.326 3.775 1.00 0.69 H new ATOM 0 HD2 ARG A 26 12.844 -16.040 2.401 1.00 1.00 H new ATOM 0 HD3 ARG A 26 11.792 -15.679 3.756 1.00 1.00 H new ATOM 0 HE ARG A 26 10.935 -13.861 1.776 1.00 1.36 H new ATOM 0 HH11 ARG A 26 11.504 -17.300 2.053 1.00 2.36 H new ATOM 0 HH12 ARG A 26 10.249 -17.728 0.886 1.00 2.36 H new ATOM 0 HH21 ARG A 26 9.329 -14.410 0.281 1.00 2.46 H new ATOM 0 HH22 ARG A 26 9.029 -16.107 -0.109 1.00 2.46 H new ATOM 453 N GLN A 27 16.796 -12.808 1.896 1.00 0.31 N ATOM 454 CA GLN A 27 18.157 -13.221 2.334 1.00 0.32 C ATOM 455 C GLN A 27 18.739 -12.100 3.200 1.00 0.31 C ATOM 456 O GLN A 27 19.379 -12.336 4.205 1.00 0.33 O ATOM 457 CB GLN A 27 19.037 -13.429 1.077 1.00 0.33 C ATOM 458 CG GLN A 27 20.003 -14.605 1.290 1.00 0.99 C ATOM 459 CD GLN A 27 20.923 -14.308 2.476 1.00 1.48 C ATOM 460 OE1 GLN A 27 21.603 -13.301 2.496 1.00 2.02 O ATOM 461 NE2 GLN A 27 20.975 -15.149 3.474 1.00 2.23 N ATOM 0 H GLN A 27 16.690 -12.665 0.892 1.00 0.31 H new ATOM 0 HA GLN A 27 18.121 -14.148 2.907 1.00 0.32 H new ATOM 0 HB2 GLN A 27 18.405 -13.621 0.210 1.00 0.33 H new ATOM 0 HB3 GLN A 27 19.601 -12.520 0.865 1.00 0.33 H new ATOM 0 HG2 GLN A 27 19.441 -15.521 1.473 1.00 0.99 H new ATOM 0 HG3 GLN A 27 20.595 -14.769 0.390 1.00 0.99 H new ATOM 0 HE21 GLN A 27 20.405 -15.995 3.459 1.00 2.23 H new ATOM 0 HE22 GLN A 27 21.586 -14.960 4.269 1.00 2.23 H new ATOM 470 N GLN A 28 18.508 -10.877 2.803 1.00 0.30 N ATOM 471 CA GLN A 28 19.028 -9.719 3.580 1.00 0.31 C ATOM 472 C GLN A 28 18.276 -9.628 4.908 1.00 0.30 C ATOM 473 O GLN A 28 18.812 -9.196 5.909 1.00 0.34 O ATOM 474 CB GLN A 28 18.805 -8.434 2.781 1.00 0.33 C ATOM 475 CG GLN A 28 19.536 -8.528 1.440 1.00 1.10 C ATOM 476 CD GLN A 28 19.393 -7.203 0.689 1.00 1.61 C ATOM 477 OE1 GLN A 28 18.294 -6.742 0.450 1.00 2.28 O ATOM 478 NE2 GLN A 28 20.465 -6.567 0.304 1.00 2.28 N ATOM 0 H GLN A 28 17.977 -10.631 1.967 1.00 0.30 H new ATOM 0 HA GLN A 28 20.093 -9.850 3.770 1.00 0.31 H new ATOM 0 HB2 GLN A 28 17.739 -8.278 2.615 1.00 0.33 H new ATOM 0 HB3 GLN A 28 19.169 -7.575 3.345 1.00 0.33 H new ATOM 0 HG2 GLN A 28 20.590 -8.754 1.603 1.00 1.10 H new ATOM 0 HG3 GLN A 28 19.123 -9.342 0.845 1.00 1.10 H new ATOM 0 HE21 GLN A 28 21.387 -6.954 0.505 1.00 2.28 H new ATOM 0 HE22 GLN A 28 20.381 -5.683 -0.198 1.00 2.28 H new ATOM 487 N VAL A 29 17.039 -10.046 4.925 1.00 0.27 N ATOM 488 CA VAL A 29 16.267 -9.991 6.198 1.00 0.28 C ATOM 489 C VAL A 29 16.723 -11.134 7.103 1.00 0.30 C ATOM 490 O VAL A 29 16.980 -10.949 8.277 1.00 0.33 O ATOM 491 CB VAL A 29 14.773 -10.125 5.911 1.00 0.27 C ATOM 492 CG1 VAL A 29 14.004 -10.214 7.230 1.00 0.30 C ATOM 493 CG2 VAL A 29 14.295 -8.901 5.132 1.00 0.27 C ATOM 0 H VAL A 29 16.534 -10.419 4.121 1.00 0.27 H new ATOM 0 HA VAL A 29 16.444 -9.035 6.691 1.00 0.28 H new ATOM 0 HB VAL A 29 14.597 -11.027 5.325 1.00 0.27 H new ATOM 0 HG11 VAL A 29 12.938 -10.310 7.024 1.00 0.30 H new ATOM 0 HG12 VAL A 29 14.344 -11.084 7.792 1.00 0.30 H new ATOM 0 HG13 VAL A 29 14.181 -9.312 7.816 1.00 0.30 H new ATOM 0 HG21 VAL A 29 13.229 -8.994 4.926 1.00 0.27 H new ATOM 0 HG22 VAL A 29 14.473 -8.002 5.722 1.00 0.27 H new ATOM 0 HG23 VAL A 29 14.842 -8.832 4.191 1.00 0.27 H new ATOM 503 N VAL A 30 16.822 -12.318 6.566 1.00 0.31 N ATOM 504 CA VAL A 30 17.256 -13.477 7.387 1.00 0.35 C ATOM 505 C VAL A 30 18.745 -13.359 7.711 1.00 0.37 C ATOM 506 O VAL A 30 19.170 -13.634 8.816 1.00 0.42 O ATOM 507 CB VAL A 30 17.009 -14.765 6.604 1.00 0.35 C ATOM 508 CG1 VAL A 30 17.426 -15.967 7.448 1.00 0.40 C ATOM 509 CG2 VAL A 30 15.523 -14.871 6.266 1.00 0.35 C ATOM 0 H VAL A 30 16.620 -12.531 5.589 1.00 0.31 H new ATOM 0 HA VAL A 30 16.689 -13.493 8.318 1.00 0.35 H new ATOM 0 HB VAL A 30 17.595 -14.750 5.685 1.00 0.35 H new ATOM 0 HG11 VAL A 30 17.249 -16.885 6.887 1.00 0.40 H new ATOM 0 HG12 VAL A 30 18.485 -15.890 7.692 1.00 0.40 H new ATOM 0 HG13 VAL A 30 16.842 -15.986 8.368 1.00 0.40 H new ATOM 0 HG21 VAL A 30 15.342 -15.789 5.707 1.00 0.35 H new ATOM 0 HG22 VAL A 30 14.941 -14.886 7.187 1.00 0.35 H new ATOM 0 HG23 VAL A 30 15.225 -14.014 5.662 1.00 0.35 H new ATOM 519 N SER A 31 19.548 -12.965 6.760 1.00 0.36 N ATOM 520 CA SER A 31 21.008 -12.857 7.043 1.00 0.39 C ATOM 521 C SER A 31 21.238 -11.791 8.115 1.00 0.42 C ATOM 522 O SER A 31 22.079 -11.949 8.978 1.00 0.47 O ATOM 523 CB SER A 31 21.779 -12.505 5.771 1.00 0.38 C ATOM 524 OG SER A 31 21.385 -11.216 5.321 1.00 1.36 O ATOM 0 H SER A 31 19.262 -12.717 5.813 1.00 0.36 H new ATOM 0 HA SER A 31 21.373 -13.819 7.404 1.00 0.39 H new ATOM 0 HB2 SER A 31 22.851 -12.522 5.966 1.00 0.38 H new ATOM 0 HB3 SER A 31 21.584 -13.248 4.997 1.00 0.38 H new ATOM 0 HG SER A 31 20.441 -11.235 5.059 1.00 1.36 H new ATOM 530 N GLU A 32 20.489 -10.717 8.100 1.00 0.42 N ATOM 531 CA GLU A 32 20.678 -9.691 9.155 1.00 0.47 C ATOM 532 C GLU A 32 19.945 -10.197 10.396 1.00 0.49 C ATOM 533 O GLU A 32 20.117 -9.704 11.492 1.00 0.54 O ATOM 534 CB GLU A 32 20.157 -8.337 8.672 1.00 0.48 C ATOM 535 CG GLU A 32 20.994 -7.912 7.457 1.00 0.79 C ATOM 536 CD GLU A 32 20.404 -6.655 6.815 1.00 1.50 C ATOM 537 OE1 GLU A 32 19.700 -5.935 7.501 1.00 2.23 O ATOM 538 OE2 GLU A 32 20.675 -6.432 5.645 1.00 2.22 O ATOM 0 H GLU A 32 19.766 -10.513 7.410 1.00 0.42 H new ATOM 0 HA GLU A 32 21.731 -9.539 9.393 1.00 0.47 H new ATOM 0 HB2 GLU A 32 19.103 -8.408 8.403 1.00 0.48 H new ATOM 0 HB3 GLU A 32 20.233 -7.594 9.466 1.00 0.48 H new ATOM 0 HG2 GLU A 32 22.022 -7.722 7.764 1.00 0.79 H new ATOM 0 HG3 GLU A 32 21.024 -8.721 6.727 1.00 0.79 H new ATOM 545 N GLY A 33 19.201 -11.265 10.226 1.00 0.47 N ATOM 546 CA GLY A 33 18.532 -11.927 11.384 1.00 0.50 C ATOM 547 C GLY A 33 17.126 -11.419 11.713 1.00 0.50 C ATOM 548 O GLY A 33 16.831 -11.253 12.875 1.00 0.66 O ATOM 0 H GLY A 33 19.029 -11.708 9.323 1.00 0.47 H new ATOM 0 HA2 GLY A 33 18.475 -12.997 11.185 1.00 0.50 H new ATOM 0 HA3 GLY A 33 19.161 -11.800 12.265 1.00 0.50 H new ATOM 552 N GLY A 34 16.258 -11.200 10.732 1.00 0.43 N ATOM 553 CA GLY A 34 14.830 -10.737 11.002 1.00 0.43 C ATOM 554 C GLY A 34 14.651 -10.231 12.443 1.00 0.43 C ATOM 555 O GLY A 34 14.657 -9.037 12.668 1.00 0.41 O ATOM 0 H GLY A 34 16.478 -11.323 9.744 1.00 0.43 H new ATOM 0 HA2 GLY A 34 14.569 -9.942 10.304 1.00 0.43 H new ATOM 0 HA3 GLY A 34 14.141 -11.561 10.819 1.00 0.43 H new ATOM 559 N PRO A 35 14.545 -11.149 13.393 1.00 0.47 N ATOM 560 CA PRO A 35 14.430 -10.783 14.814 1.00 0.51 C ATOM 561 C PRO A 35 15.292 -9.565 15.140 1.00 0.52 C ATOM 562 O PRO A 35 15.014 -8.817 16.055 1.00 0.64 O ATOM 563 CB PRO A 35 14.969 -12.039 15.547 1.00 0.57 C ATOM 564 CG PRO A 35 14.904 -13.220 14.535 1.00 0.58 C ATOM 565 CD PRO A 35 14.543 -12.617 13.155 1.00 0.52 C ATOM 0 HA PRO A 35 13.413 -10.515 15.101 1.00 0.51 H new ATOM 0 HB2 PRO A 35 15.992 -11.878 15.886 1.00 0.57 H new ATOM 0 HB3 PRO A 35 14.370 -12.256 16.432 1.00 0.57 H new ATOM 0 HG2 PRO A 35 15.860 -13.741 14.489 1.00 0.58 H new ATOM 0 HG3 PRO A 35 14.157 -13.951 14.843 1.00 0.58 H new ATOM 0 HD2 PRO A 35 15.270 -12.899 12.394 1.00 0.52 H new ATOM 0 HD3 PRO A 35 13.569 -12.964 12.810 1.00 0.52 H new ATOM 573 N THR A 36 16.348 -9.380 14.403 1.00 0.50 N ATOM 574 CA THR A 36 17.261 -8.234 14.659 1.00 0.50 C ATOM 575 C THR A 36 17.760 -7.662 13.332 1.00 0.48 C ATOM 576 O THR A 36 18.902 -7.265 13.219 1.00 0.48 O ATOM 577 CB THR A 36 18.462 -8.750 15.454 1.00 0.51 C ATOM 578 OG1 THR A 36 19.435 -7.720 15.551 1.00 0.69 O ATOM 579 CG2 THR A 36 19.063 -9.965 14.751 1.00 0.80 C ATOM 0 H THR A 36 16.621 -9.981 13.625 1.00 0.50 H new ATOM 0 HA THR A 36 16.733 -7.456 15.211 1.00 0.50 H new ATOM 0 HB THR A 36 18.140 -9.042 16.453 1.00 0.51 H new ATOM 0 HG1 THR A 36 19.776 -7.507 14.657 1.00 0.69 H new ATOM 0 HG21 THR A 36 19.918 -10.329 15.321 1.00 0.80 H new ATOM 0 HG22 THR A 36 18.313 -10.752 14.680 1.00 0.80 H new ATOM 0 HG23 THR A 36 19.388 -9.682 13.750 1.00 0.80 H new ATOM 587 N ALA A 37 16.931 -7.616 12.317 1.00 0.48 N ATOM 588 CA ALA A 37 17.399 -7.066 11.002 1.00 0.48 C ATOM 589 C ALA A 37 17.140 -5.555 10.959 1.00 0.55 C ATOM 590 O ALA A 37 16.182 -5.066 11.525 1.00 1.10 O ATOM 591 CB ALA A 37 16.639 -7.746 9.859 1.00 0.42 C ATOM 0 H ALA A 37 15.961 -7.931 12.339 1.00 0.48 H new ATOM 0 HA ALA A 37 18.466 -7.257 10.890 1.00 0.48 H new ATOM 0 HB1 ALA A 37 16.981 -7.344 8.905 1.00 0.42 H new ATOM 0 HB2 ALA A 37 16.823 -8.820 9.888 1.00 0.42 H new ATOM 0 HB3 ALA A 37 15.571 -7.558 9.970 1.00 0.42 H new ATOM 597 N THR A 38 17.985 -4.810 10.293 1.00 0.45 N ATOM 598 CA THR A 38 17.783 -3.335 10.221 1.00 0.46 C ATOM 599 C THR A 38 16.362 -3.032 9.737 1.00 0.40 C ATOM 600 O THR A 38 15.663 -3.895 9.245 1.00 0.36 O ATOM 601 CB THR A 38 18.796 -2.717 9.249 1.00 0.48 C ATOM 602 OG1 THR A 38 18.776 -3.432 8.023 1.00 0.66 O ATOM 603 CG2 THR A 38 20.199 -2.782 9.855 1.00 0.66 C ATOM 0 H THR A 38 18.805 -5.161 9.797 1.00 0.45 H new ATOM 0 HA THR A 38 17.928 -2.907 11.213 1.00 0.46 H new ATOM 0 HB THR A 38 18.530 -1.676 9.067 1.00 0.48 H new ATOM 0 HG1 THR A 38 17.948 -3.952 7.961 1.00 0.66 H new ATOM 0 HG21 THR A 38 20.916 -2.342 9.161 1.00 0.66 H new ATOM 0 HG22 THR A 38 20.216 -2.228 10.794 1.00 0.66 H new ATOM 0 HG23 THR A 38 20.467 -3.822 10.042 1.00 0.66 H new ATOM 611 N ILE A 39 15.932 -1.809 9.885 1.00 0.47 N ATOM 612 CA ILE A 39 14.556 -1.432 9.450 1.00 0.45 C ATOM 613 C ILE A 39 14.449 -1.495 7.922 1.00 0.40 C ATOM 614 O ILE A 39 13.467 -1.959 7.378 1.00 0.38 O ATOM 615 CB ILE A 39 14.261 0.001 9.917 1.00 0.55 C ATOM 616 CG1 ILE A 39 14.242 0.063 11.464 1.00 0.73 C ATOM 617 CG2 ILE A 39 12.916 0.464 9.344 1.00 0.53 C ATOM 618 CD1 ILE A 39 12.853 -0.297 12.013 1.00 0.73 C ATOM 0 H ILE A 39 16.478 -1.049 10.291 1.00 0.47 H new ATOM 0 HA ILE A 39 13.838 -2.127 9.886 1.00 0.45 H new ATOM 0 HB ILE A 39 15.045 0.666 9.555 1.00 0.55 H new ATOM 0 HG12 ILE A 39 14.986 -0.624 11.868 1.00 0.73 H new ATOM 0 HG13 ILE A 39 14.519 1.064 11.795 1.00 0.73 H new ATOM 0 HG21 ILE A 39 12.709 1.481 9.677 1.00 0.53 H new ATOM 0 HG22 ILE A 39 12.957 0.440 8.255 1.00 0.53 H new ATOM 0 HG23 ILE A 39 12.124 -0.200 9.692 1.00 0.53 H new ATOM 0 HD11 ILE A 39 12.868 -0.246 13.102 1.00 0.73 H new ATOM 0 HD12 ILE A 39 12.115 0.406 11.626 1.00 0.73 H new ATOM 0 HD13 ILE A 39 12.589 -1.307 11.701 1.00 0.73 H new ATOM 630 N GLN A 40 15.443 -1.018 7.228 1.00 0.42 N ATOM 631 CA GLN A 40 15.394 -1.031 5.737 1.00 0.43 C ATOM 632 C GLN A 40 15.227 -2.464 5.223 1.00 0.35 C ATOM 633 O GLN A 40 14.703 -2.687 4.149 1.00 0.37 O ATOM 634 CB GLN A 40 16.687 -0.434 5.179 1.00 0.53 C ATOM 635 CG GLN A 40 16.828 1.012 5.659 1.00 1.38 C ATOM 636 CD GLN A 40 18.105 1.623 5.078 1.00 1.91 C ATOM 637 OE1 GLN A 40 19.197 1.251 5.458 1.00 2.54 O ATOM 638 NE2 GLN A 40 18.013 2.553 4.167 1.00 2.43 N ATOM 0 H GLN A 40 16.291 -0.618 7.629 1.00 0.42 H new ATOM 0 HA GLN A 40 14.542 -0.437 5.406 1.00 0.43 H new ATOM 0 HB2 GLN A 40 17.544 -1.023 5.507 1.00 0.53 H new ATOM 0 HB3 GLN A 40 16.676 -0.468 4.090 1.00 0.53 H new ATOM 0 HG2 GLN A 40 15.960 1.595 5.350 1.00 1.38 H new ATOM 0 HG3 GLN A 40 16.861 1.043 6.748 1.00 1.38 H new ATOM 0 HE21 GLN A 40 17.096 2.865 3.848 1.00 2.43 H new ATOM 0 HE22 GLN A 40 18.858 2.967 3.774 1.00 2.43 H new ATOM 647 N SER A 41 15.675 -3.436 5.967 1.00 0.31 N ATOM 648 CA SER A 41 15.546 -4.848 5.498 1.00 0.28 C ATOM 649 C SER A 41 14.065 -5.235 5.438 1.00 0.24 C ATOM 650 O SER A 41 13.593 -5.776 4.457 1.00 0.25 O ATOM 651 CB SER A 41 16.295 -5.781 6.467 1.00 0.29 C ATOM 652 OG SER A 41 17.287 -5.035 7.155 1.00 1.32 O ATOM 0 H SER A 41 16.123 -3.317 6.876 1.00 0.31 H new ATOM 0 HA SER A 41 15.980 -4.944 4.503 1.00 0.28 H new ATOM 0 HB2 SER A 41 15.597 -6.224 7.178 1.00 0.29 H new ATOM 0 HB3 SER A 41 16.755 -6.602 5.918 1.00 0.29 H new ATOM 0 HG SER A 41 18.170 -5.422 6.977 1.00 1.32 H new ATOM 658 N ARG A 42 13.333 -4.965 6.481 1.00 0.22 N ATOM 659 CA ARG A 42 11.889 -5.320 6.484 1.00 0.21 C ATOM 660 C ARG A 42 11.138 -4.369 5.546 1.00 0.20 C ATOM 661 O ARG A 42 10.253 -4.773 4.818 1.00 0.20 O ATOM 662 CB ARG A 42 11.345 -5.214 7.916 1.00 0.24 C ATOM 663 CG ARG A 42 12.068 -6.238 8.805 1.00 0.52 C ATOM 664 CD ARG A 42 11.485 -6.218 10.225 1.00 0.82 C ATOM 665 NE ARG A 42 11.775 -4.904 10.866 1.00 1.50 N ATOM 666 CZ ARG A 42 11.126 -4.544 11.940 1.00 1.92 C ATOM 667 NH1 ARG A 42 10.209 -5.326 12.440 1.00 1.83 N ATOM 668 NH2 ARG A 42 11.392 -3.402 12.512 1.00 2.91 N ATOM 0 H ARG A 42 13.672 -4.514 7.331 1.00 0.22 H new ATOM 0 HA ARG A 42 11.749 -6.343 6.133 1.00 0.21 H new ATOM 0 HB2 ARG A 42 11.497 -4.206 8.303 1.00 0.24 H new ATOM 0 HB3 ARG A 42 10.271 -5.400 7.925 1.00 0.24 H new ATOM 0 HG2 ARG A 42 11.968 -7.236 8.378 1.00 0.52 H new ATOM 0 HG3 ARG A 42 13.134 -6.012 8.839 1.00 0.52 H new ATOM 0 HD2 ARG A 42 10.409 -6.387 10.190 1.00 0.82 H new ATOM 0 HD3 ARG A 42 11.915 -7.026 10.817 1.00 0.82 H new ATOM 0 HE ARG A 42 12.481 -4.286 10.465 1.00 1.50 H new ATOM 0 HH11 ARG A 42 10.000 -6.218 11.992 1.00 1.83 H new ATOM 0 HH12 ARG A 42 9.702 -5.045 13.279 1.00 1.83 H new ATOM 0 HH21 ARG A 42 12.107 -2.790 12.120 1.00 2.91 H new ATOM 0 HH22 ARG A 42 10.884 -3.121 13.351 1.00 2.91 H new ATOM 682 N PHE A 43 11.482 -3.108 5.557 1.00 0.22 N ATOM 683 CA PHE A 43 10.787 -2.131 4.667 1.00 0.24 C ATOM 684 C PHE A 43 10.840 -2.604 3.210 1.00 0.23 C ATOM 685 O PHE A 43 9.832 -2.653 2.533 1.00 0.23 O ATOM 686 CB PHE A 43 11.473 -0.766 4.774 1.00 0.28 C ATOM 687 CG PHE A 43 10.668 0.265 4.018 1.00 0.38 C ATOM 688 CD1 PHE A 43 9.659 0.983 4.672 1.00 1.18 C ATOM 689 CD2 PHE A 43 10.931 0.504 2.663 1.00 1.40 C ATOM 690 CE1 PHE A 43 8.914 1.940 3.972 1.00 1.22 C ATOM 691 CE2 PHE A 43 10.185 1.461 1.963 1.00 1.48 C ATOM 692 CZ PHE A 43 9.177 2.179 2.618 1.00 0.70 C ATOM 0 H PHE A 43 12.215 -2.712 6.145 1.00 0.22 H new ATOM 0 HA PHE A 43 9.746 -2.052 4.980 1.00 0.24 H new ATOM 0 HB2 PHE A 43 11.565 -0.475 5.820 1.00 0.28 H new ATOM 0 HB3 PHE A 43 12.483 -0.822 4.369 1.00 0.28 H new ATOM 0 HD1 PHE A 43 9.455 0.799 5.716 1.00 1.18 H new ATOM 0 HD2 PHE A 43 11.709 -0.050 2.158 1.00 1.40 H new ATOM 0 HE1 PHE A 43 8.136 2.494 4.477 1.00 1.22 H new ATOM 0 HE2 PHE A 43 10.387 1.645 0.918 1.00 1.48 H new ATOM 0 HZ PHE A 43 8.602 2.917 2.079 1.00 0.70 H new ATOM 702 N ASN A 44 12.001 -2.942 2.712 1.00 0.24 N ATOM 703 CA ASN A 44 12.098 -3.396 1.293 1.00 0.24 C ATOM 704 C ASN A 44 11.373 -4.732 1.121 1.00 0.22 C ATOM 705 O ASN A 44 10.793 -5.005 0.088 1.00 0.23 O ATOM 706 CB ASN A 44 13.572 -3.570 0.915 1.00 0.25 C ATOM 707 CG ASN A 44 14.271 -2.209 0.927 1.00 0.95 C ATOM 708 OD1 ASN A 44 13.911 -1.335 1.690 1.00 1.73 O ATOM 709 ND2 ASN A 44 15.264 -1.992 0.107 1.00 1.67 N ATOM 0 H ASN A 44 12.883 -2.923 3.224 1.00 0.24 H new ATOM 0 HA ASN A 44 11.635 -2.650 0.647 1.00 0.24 H new ATOM 0 HB2 ASN A 44 14.060 -4.247 1.617 1.00 0.25 H new ATOM 0 HB3 ASN A 44 13.653 -4.023 -0.073 1.00 0.25 H new ATOM 0 HD21 ASN A 44 15.737 -1.089 0.107 1.00 1.67 H new ATOM 0 HD22 ASN A 44 15.566 -2.726 -0.534 1.00 1.67 H new ATOM 716 N TYR A 45 11.408 -5.570 2.118 1.00 0.21 N ATOM 717 CA TYR A 45 10.726 -6.891 2.006 1.00 0.20 C ATOM 718 C TYR A 45 9.218 -6.677 1.855 1.00 0.21 C ATOM 719 O TYR A 45 8.538 -7.435 1.193 1.00 0.22 O ATOM 720 CB TYR A 45 11.019 -7.711 3.262 1.00 0.20 C ATOM 721 CG TYR A 45 10.354 -9.068 3.164 1.00 0.21 C ATOM 722 CD1 TYR A 45 10.743 -9.969 2.164 1.00 1.12 C ATOM 723 CD2 TYR A 45 9.353 -9.430 4.077 1.00 1.33 C ATOM 724 CE1 TYR A 45 10.132 -11.227 2.076 1.00 1.05 C ATOM 725 CE2 TYR A 45 8.744 -10.687 3.989 1.00 1.43 C ATOM 726 CZ TYR A 45 9.133 -11.585 2.989 1.00 0.43 C ATOM 727 OH TYR A 45 8.532 -12.825 2.903 1.00 0.57 O ATOM 0 H TYR A 45 11.879 -5.398 3.006 1.00 0.21 H new ATOM 0 HA TYR A 45 11.094 -7.427 1.131 1.00 0.20 H new ATOM 0 HB2 TYR A 45 12.095 -7.833 3.383 1.00 0.20 H new ATOM 0 HB3 TYR A 45 10.656 -7.182 4.144 1.00 0.20 H new ATOM 0 HD1 TYR A 45 11.515 -9.694 1.460 1.00 1.12 H new ATOM 0 HD2 TYR A 45 9.052 -8.738 4.849 1.00 1.33 H new ATOM 0 HE1 TYR A 45 10.432 -11.920 1.304 1.00 1.05 H new ATOM 0 HE2 TYR A 45 7.973 -10.964 4.693 1.00 1.43 H new ATOM 0 HH TYR A 45 7.861 -12.913 3.612 1.00 0.57 H new ATOM 737 N ALA A 46 8.692 -5.643 2.454 1.00 0.22 N ATOM 738 CA ALA A 46 7.230 -5.376 2.334 1.00 0.24 C ATOM 739 C ALA A 46 6.929 -4.866 0.924 1.00 0.25 C ATOM 740 O ALA A 46 5.857 -5.074 0.390 1.00 0.28 O ATOM 741 CB ALA A 46 6.816 -4.318 3.359 1.00 0.26 C ATOM 0 H ALA A 46 9.211 -4.972 3.021 1.00 0.22 H new ATOM 0 HA ALA A 46 6.673 -6.294 2.520 1.00 0.24 H new ATOM 0 HB1 ALA A 46 5.747 -4.124 3.270 1.00 0.26 H new ATOM 0 HB2 ALA A 46 7.037 -4.679 4.364 1.00 0.26 H new ATOM 0 HB3 ALA A 46 7.369 -3.397 3.174 1.00 0.26 H new ATOM 747 N TRP A 47 7.873 -4.201 0.318 1.00 0.26 N ATOM 748 CA TRP A 47 7.655 -3.674 -1.057 1.00 0.29 C ATOM 749 C TRP A 47 7.498 -4.842 -2.035 1.00 0.29 C ATOM 750 O TRP A 47 6.621 -4.842 -2.877 1.00 0.29 O ATOM 751 CB TRP A 47 8.861 -2.823 -1.465 1.00 0.33 C ATOM 752 CG TRP A 47 8.719 -2.378 -2.886 1.00 0.34 C ATOM 753 CD1 TRP A 47 9.521 -2.767 -3.905 1.00 0.38 C ATOM 754 CD2 TRP A 47 7.740 -1.464 -3.464 1.00 0.35 C ATOM 755 NE1 TRP A 47 9.096 -2.152 -5.069 1.00 0.40 N ATOM 756 CE2 TRP A 47 8.002 -1.340 -4.849 1.00 0.38 C ATOM 757 CE3 TRP A 47 6.660 -0.740 -2.926 1.00 0.36 C ATOM 758 CZ2 TRP A 47 7.223 -0.525 -5.671 1.00 0.42 C ATOM 759 CZ3 TRP A 47 5.873 0.081 -3.752 1.00 0.42 C ATOM 760 CH2 TRP A 47 6.155 0.188 -5.121 1.00 0.44 C ATOM 0 H TRP A 47 8.789 -3.999 0.718 1.00 0.26 H new ATOM 0 HA TRP A 47 6.752 -3.064 -1.077 1.00 0.29 H new ATOM 0 HB2 TRP A 47 8.942 -1.955 -0.810 1.00 0.33 H new ATOM 0 HB3 TRP A 47 9.779 -3.399 -1.346 1.00 0.33 H new ATOM 0 HD1 TRP A 47 10.356 -3.447 -3.823 1.00 0.38 H new ATOM 0 HE1 TRP A 47 9.538 -2.283 -5.979 1.00 0.40 H new ATOM 0 HE3 TRP A 47 6.435 -0.816 -1.873 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 7.444 -0.446 -6.725 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 5.046 0.633 -3.329 1.00 0.42 H new ATOM 0 HH2 TRP A 47 5.547 0.821 -5.750 1.00 0.44 H new ATOM 771 N GLY A 48 8.352 -5.828 -1.948 1.00 0.29 N ATOM 772 CA GLY A 48 8.259 -6.977 -2.889 1.00 0.30 C ATOM 773 C GLY A 48 6.930 -7.703 -2.702 1.00 0.27 C ATOM 774 O GLY A 48 6.319 -8.154 -3.651 1.00 0.29 O ATOM 0 H GLY A 48 9.108 -5.885 -1.266 1.00 0.29 H new ATOM 0 HA2 GLY A 48 8.348 -6.624 -3.916 1.00 0.30 H new ATOM 0 HA3 GLY A 48 9.086 -7.666 -2.717 1.00 0.30 H new ATOM 778 N LEU A 49 6.475 -7.822 -1.488 1.00 0.25 N ATOM 779 CA LEU A 49 5.185 -8.521 -1.247 1.00 0.24 C ATOM 780 C LEU A 49 4.046 -7.726 -1.884 1.00 0.24 C ATOM 781 O LEU A 49 3.091 -8.288 -2.383 1.00 0.29 O ATOM 782 CB LEU A 49 4.952 -8.639 0.262 1.00 0.23 C ATOM 783 CG LEU A 49 5.962 -9.624 0.871 1.00 0.23 C ATOM 784 CD1 LEU A 49 5.964 -9.470 2.398 1.00 0.24 C ATOM 785 CD2 LEU A 49 5.590 -11.077 0.501 1.00 0.26 C ATOM 0 H LEU A 49 6.940 -7.466 -0.653 1.00 0.25 H new ATOM 0 HA LEU A 49 5.218 -9.516 -1.690 1.00 0.24 H new ATOM 0 HB2 LEU A 49 5.055 -7.661 0.732 1.00 0.23 H new ATOM 0 HB3 LEU A 49 3.935 -8.980 0.456 1.00 0.23 H new ATOM 0 HG LEU A 49 6.953 -9.404 0.474 1.00 0.23 H new ATOM 0 HD11 LEU A 49 6.680 -10.168 2.833 1.00 0.24 H new ATOM 0 HD12 LEU A 49 6.246 -8.450 2.660 1.00 0.24 H new ATOM 0 HD13 LEU A 49 4.968 -9.683 2.786 1.00 0.24 H new ATOM 0 HD21 LEU A 49 6.316 -11.761 0.940 1.00 0.26 H new ATOM 0 HD22 LEU A 49 4.596 -11.307 0.884 1.00 0.26 H new ATOM 0 HD23 LEU A 49 5.596 -11.189 -0.583 1.00 0.26 H new ATOM 797 N ILE A 50 4.132 -6.425 -1.873 1.00 0.24 N ATOM 798 CA ILE A 50 3.044 -5.611 -2.480 1.00 0.26 C ATOM 799 C ILE A 50 3.083 -5.754 -4.004 1.00 0.27 C ATOM 800 O ILE A 50 2.069 -5.648 -4.664 1.00 0.29 O ATOM 801 CB ILE A 50 3.215 -4.137 -2.095 1.00 0.28 C ATOM 802 CG1 ILE A 50 2.920 -3.966 -0.602 1.00 0.32 C ATOM 803 CG2 ILE A 50 2.240 -3.273 -2.904 1.00 0.32 C ATOM 804 CD1 ILE A 50 3.356 -2.572 -0.143 1.00 0.73 C ATOM 0 H ILE A 50 4.904 -5.893 -1.472 1.00 0.24 H new ATOM 0 HA ILE A 50 2.083 -5.966 -2.108 1.00 0.26 H new ATOM 0 HB ILE A 50 4.237 -3.825 -2.308 1.00 0.28 H new ATOM 0 HG12 ILE A 50 1.855 -4.104 -0.414 1.00 0.32 H new ATOM 0 HG13 ILE A 50 3.446 -4.729 -0.028 1.00 0.32 H new ATOM 0 HG21 ILE A 50 2.365 -2.226 -2.627 1.00 0.32 H new ATOM 0 HG22 ILE A 50 2.444 -3.394 -3.968 1.00 0.32 H new ATOM 0 HG23 ILE A 50 1.217 -3.584 -2.693 1.00 0.32 H new ATOM 0 HD11 ILE A 50 3.144 -2.456 0.920 1.00 0.73 H new ATOM 0 HD12 ILE A 50 4.425 -2.450 -0.315 1.00 0.73 H new ATOM 0 HD13 ILE A 50 2.810 -1.816 -0.707 1.00 0.73 H new ATOM 816 N LYS A 51 4.235 -5.986 -4.578 1.00 0.28 N ATOM 817 CA LYS A 51 4.312 -6.123 -6.059 1.00 0.31 C ATOM 818 C LYS A 51 3.678 -7.450 -6.488 1.00 0.31 C ATOM 819 O LYS A 51 3.204 -7.591 -7.598 1.00 0.36 O ATOM 820 CB LYS A 51 5.794 -6.094 -6.479 1.00 0.37 C ATOM 821 CG LYS A 51 5.929 -5.639 -7.948 1.00 0.72 C ATOM 822 CD LYS A 51 5.997 -4.095 -8.033 1.00 0.79 C ATOM 823 CE LYS A 51 7.457 -3.622 -8.010 1.00 0.87 C ATOM 824 NZ LYS A 51 8.158 -4.208 -6.832 1.00 1.58 N ATOM 0 H LYS A 51 5.122 -6.086 -4.085 1.00 0.28 H new ATOM 0 HA LYS A 51 3.774 -5.305 -6.538 1.00 0.31 H new ATOM 0 HB2 LYS A 51 6.349 -5.417 -5.830 1.00 0.37 H new ATOM 0 HB3 LYS A 51 6.233 -7.084 -6.357 1.00 0.37 H new ATOM 0 HG2 LYS A 51 6.827 -6.073 -8.388 1.00 0.72 H new ATOM 0 HG3 LYS A 51 5.081 -6.004 -8.527 1.00 0.72 H new ATOM 0 HD2 LYS A 51 5.512 -3.753 -8.947 1.00 0.79 H new ATOM 0 HD3 LYS A 51 5.452 -3.654 -7.198 1.00 0.79 H new ATOM 0 HE2 LYS A 51 7.960 -3.920 -8.930 1.00 0.87 H new ATOM 0 HE3 LYS A 51 7.496 -2.534 -7.964 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 9.186 -4.117 -6.959 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 7.869 -3.703 -5.970 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 7.908 -5.214 -6.744 1.00 1.58 H new ATOM 838 N SER A 52 3.673 -8.425 -5.622 1.00 0.32 N ATOM 839 CA SER A 52 3.079 -9.742 -5.985 1.00 0.34 C ATOM 840 C SER A 52 1.673 -9.536 -6.556 1.00 0.35 C ATOM 841 O SER A 52 1.024 -8.540 -6.306 1.00 0.36 O ATOM 842 CB SER A 52 3.001 -10.625 -4.743 1.00 0.36 C ATOM 843 OG SER A 52 2.266 -11.803 -5.050 1.00 1.14 O ATOM 0 H SER A 52 4.055 -8.367 -4.678 1.00 0.32 H new ATOM 0 HA SER A 52 3.705 -10.224 -6.736 1.00 0.34 H new ATOM 0 HB2 SER A 52 4.004 -10.886 -4.405 1.00 0.36 H new ATOM 0 HB3 SER A 52 2.520 -10.084 -3.928 1.00 0.36 H new ATOM 0 HG SER A 52 2.215 -12.374 -4.255 1.00 1.14 H new ATOM 849 N THR A 53 1.206 -10.477 -7.332 1.00 0.38 N ATOM 850 CA THR A 53 -0.153 -10.353 -7.941 1.00 0.41 C ATOM 851 C THR A 53 -1.212 -10.943 -7.003 1.00 0.40 C ATOM 852 O THR A 53 -2.396 -10.765 -7.207 1.00 0.52 O ATOM 853 CB THR A 53 -0.181 -11.101 -9.274 1.00 0.46 C ATOM 854 OG1 THR A 53 0.089 -12.477 -9.049 1.00 0.51 O ATOM 855 CG2 THR A 53 0.879 -10.514 -10.208 1.00 0.49 C ATOM 0 H THR A 53 1.709 -11.331 -7.572 1.00 0.38 H new ATOM 0 HA THR A 53 -0.374 -9.298 -8.104 1.00 0.41 H new ATOM 0 HB THR A 53 -1.164 -10.996 -9.732 1.00 0.46 H new ATOM 0 HG1 THR A 53 0.070 -12.958 -9.903 1.00 0.51 H new ATOM 0 HG21 THR A 53 0.861 -11.046 -11.159 1.00 0.49 H new ATOM 0 HG22 THR A 53 0.669 -9.458 -10.379 1.00 0.49 H new ATOM 0 HG23 THR A 53 1.864 -10.619 -9.752 1.00 0.49 H new ATOM 863 N ASP A 54 -0.801 -11.640 -5.973 1.00 0.39 N ATOM 864 CA ASP A 54 -1.802 -12.231 -5.024 1.00 0.38 C ATOM 865 C ASP A 54 -2.077 -11.247 -3.886 1.00 0.37 C ATOM 866 O ASP A 54 -1.234 -10.474 -3.480 1.00 0.36 O ATOM 867 CB ASP A 54 -1.299 -13.565 -4.467 1.00 0.38 C ATOM 868 CG ASP A 54 -1.188 -14.588 -5.599 1.00 1.31 C ATOM 869 OD1 ASP A 54 -2.220 -15.048 -6.058 1.00 2.18 O ATOM 870 OD2 ASP A 54 -0.072 -14.893 -5.987 1.00 1.86 O ATOM 0 H ASP A 54 0.176 -11.826 -5.747 1.00 0.39 H new ATOM 0 HA ASP A 54 -2.730 -12.419 -5.565 1.00 0.38 H new ATOM 0 HB2 ASP A 54 -0.328 -13.428 -3.991 1.00 0.38 H new ATOM 0 HB3 ASP A 54 -1.982 -13.930 -3.700 1.00 0.38 H new ATOM 875 N VAL A 55 -3.286 -11.287 -3.390 1.00 0.37 N ATOM 876 CA VAL A 55 -3.713 -10.375 -2.290 1.00 0.37 C ATOM 877 C VAL A 55 -3.184 -10.875 -0.940 1.00 0.35 C ATOM 878 O VAL A 55 -3.120 -10.138 0.022 1.00 0.35 O ATOM 879 CB VAL A 55 -5.249 -10.313 -2.276 1.00 0.39 C ATOM 880 CG1 VAL A 55 -5.831 -11.579 -1.641 1.00 0.42 C ATOM 881 CG2 VAL A 55 -5.712 -9.086 -1.487 1.00 0.40 C ATOM 0 H VAL A 55 -4.011 -11.929 -3.710 1.00 0.37 H new ATOM 0 HA VAL A 55 -3.304 -9.379 -2.458 1.00 0.37 H new ATOM 0 HB VAL A 55 -5.602 -10.240 -3.305 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -6.919 -11.518 -1.639 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -5.517 -12.451 -2.215 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -5.471 -11.670 -0.616 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -6.801 -9.047 -1.481 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -5.345 -9.152 -0.463 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -5.320 -8.183 -1.955 1.00 0.40 H new ATOM 891 N ASN A 56 -2.783 -12.109 -0.872 1.00 0.34 N ATOM 892 CA ASN A 56 -2.240 -12.645 0.411 1.00 0.34 C ATOM 893 C ASN A 56 -0.964 -11.880 0.773 1.00 0.31 C ATOM 894 O ASN A 56 -0.738 -11.514 1.912 1.00 0.31 O ATOM 895 CB ASN A 56 -1.909 -14.130 0.240 1.00 0.36 C ATOM 896 CG ASN A 56 -1.661 -14.764 1.611 1.00 1.34 C ATOM 897 OD1 ASN A 56 -0.568 -15.209 1.898 1.00 2.14 O ATOM 898 ND2 ASN A 56 -2.637 -14.824 2.475 1.00 2.11 N ATOM 0 H ASN A 56 -2.806 -12.773 -1.646 1.00 0.34 H new ATOM 0 HA ASN A 56 -2.979 -12.525 1.203 1.00 0.34 H new ATOM 0 HB2 ASN A 56 -2.730 -14.640 -0.264 1.00 0.36 H new ATOM 0 HB3 ASN A 56 -1.027 -14.246 -0.390 1.00 0.36 H new ATOM 0 HD21 ASN A 56 -2.482 -15.245 3.391 1.00 2.11 H new ATOM 0 HD22 ASN A 56 -3.555 -14.450 2.234 1.00 2.11 H new ATOM 905 N ASP A 57 -0.125 -11.642 -0.195 1.00 0.30 N ATOM 906 CA ASP A 57 1.146 -10.916 0.067 1.00 0.30 C ATOM 907 C ASP A 57 0.870 -9.425 0.307 1.00 0.29 C ATOM 908 O ASP A 57 1.518 -8.792 1.116 1.00 0.28 O ATOM 909 CB ASP A 57 2.059 -11.083 -1.146 1.00 0.33 C ATOM 910 CG ASP A 57 2.598 -12.515 -1.186 1.00 0.42 C ATOM 911 OD1 ASP A 57 1.838 -13.422 -0.890 1.00 1.09 O ATOM 912 OD2 ASP A 57 3.761 -12.680 -1.515 1.00 1.23 O ATOM 0 H ASP A 57 -0.268 -11.922 -1.165 1.00 0.30 H new ATOM 0 HA ASP A 57 1.624 -11.325 0.957 1.00 0.30 H new ATOM 0 HB2 ASP A 57 1.509 -10.864 -2.061 1.00 0.33 H new ATOM 0 HB3 ASP A 57 2.885 -10.374 -1.093 1.00 0.33 H new ATOM 917 N GLU A 58 -0.081 -8.855 -0.386 1.00 0.33 N ATOM 918 CA GLU A 58 -0.380 -7.405 -0.185 1.00 0.36 C ATOM 919 C GLU A 58 -0.818 -7.172 1.265 1.00 0.34 C ATOM 920 O GLU A 58 -0.457 -6.189 1.882 1.00 0.34 O ATOM 921 CB GLU A 58 -1.511 -6.970 -1.134 1.00 0.42 C ATOM 922 CG GLU A 58 -0.944 -6.603 -2.511 1.00 0.92 C ATOM 923 CD GLU A 58 -0.278 -7.824 -3.147 1.00 1.66 C ATOM 924 OE1 GLU A 58 0.709 -8.289 -2.602 1.00 2.45 O ATOM 925 OE2 GLU A 58 -0.764 -8.269 -4.173 1.00 2.21 O ATOM 0 H GLU A 58 -0.661 -9.327 -1.079 1.00 0.33 H new ATOM 0 HA GLU A 58 0.515 -6.820 -0.398 1.00 0.36 H new ATOM 0 HB2 GLU A 58 -2.238 -7.776 -1.236 1.00 0.42 H new ATOM 0 HB3 GLU A 58 -2.040 -6.115 -0.712 1.00 0.42 H new ATOM 0 HG2 GLU A 58 -1.743 -6.237 -3.156 1.00 0.92 H new ATOM 0 HG3 GLU A 58 -0.220 -5.795 -2.411 1.00 0.92 H new ATOM 932 N ARG A 59 -1.596 -8.064 1.811 1.00 0.33 N ATOM 933 CA ARG A 59 -2.060 -7.890 3.216 1.00 0.34 C ATOM 934 C ARG A 59 -0.891 -8.115 4.173 1.00 0.30 C ATOM 935 O ARG A 59 -0.870 -7.595 5.271 1.00 0.31 O ATOM 936 CB ARG A 59 -3.166 -8.902 3.523 1.00 0.40 C ATOM 937 CG ARG A 59 -4.363 -8.652 2.600 1.00 0.68 C ATOM 938 CD ARG A 59 -5.397 -9.774 2.765 1.00 0.95 C ATOM 939 NE ARG A 59 -6.214 -9.516 3.984 1.00 1.62 N ATOM 940 CZ ARG A 59 -7.319 -10.181 4.184 1.00 2.13 C ATOM 941 NH1 ARG A 59 -7.689 -11.104 3.338 1.00 2.23 N ATOM 942 NH2 ARG A 59 -8.051 -9.929 5.235 1.00 3.12 N ATOM 0 H ARG A 59 -1.931 -8.907 1.345 1.00 0.33 H new ATOM 0 HA ARG A 59 -2.447 -6.879 3.343 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -2.793 -9.917 3.384 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -3.473 -8.815 4.565 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -4.818 -7.690 2.834 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -4.029 -8.603 1.563 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -6.040 -9.824 1.886 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -4.895 -10.738 2.847 1.00 0.95 H new ATOM 0 HE ARG A 59 -5.909 -8.819 4.663 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -7.114 -11.306 2.520 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -8.553 -11.623 3.495 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -7.759 -9.212 5.900 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -8.915 -10.449 5.391 1.00 3.12 H new ATOM 956 N LEU A 60 0.094 -8.869 3.765 1.00 0.28 N ATOM 957 CA LEU A 60 1.263 -9.102 4.658 1.00 0.27 C ATOM 958 C LEU A 60 2.177 -7.876 4.608 1.00 0.25 C ATOM 959 O LEU A 60 2.604 -7.365 5.624 1.00 0.26 O ATOM 960 CB LEU A 60 2.028 -10.343 4.183 1.00 0.29 C ATOM 961 CG LEU A 60 3.233 -10.617 5.097 1.00 0.30 C ATOM 962 CD1 LEU A 60 2.768 -10.843 6.547 1.00 0.32 C ATOM 963 CD2 LEU A 60 3.965 -11.866 4.590 1.00 0.34 C ATOM 0 H LEU A 60 0.139 -9.331 2.857 1.00 0.28 H new ATOM 0 HA LEU A 60 0.925 -9.263 5.682 1.00 0.27 H new ATOM 0 HB2 LEU A 60 1.364 -11.207 4.179 1.00 0.29 H new ATOM 0 HB3 LEU A 60 2.368 -10.197 3.158 1.00 0.29 H new ATOM 0 HG LEU A 60 3.902 -9.757 5.079 1.00 0.30 H new ATOM 0 HD11 LEU A 60 3.634 -11.036 7.181 1.00 0.32 H new ATOM 0 HD12 LEU A 60 2.247 -9.955 6.905 1.00 0.32 H new ATOM 0 HD13 LEU A 60 2.094 -11.699 6.584 1.00 0.32 H new ATOM 0 HD21 LEU A 60 4.823 -12.070 5.231 1.00 0.34 H new ATOM 0 HD22 LEU A 60 3.286 -12.719 4.609 1.00 0.34 H new ATOM 0 HD23 LEU A 60 4.307 -11.698 3.569 1.00 0.34 H new ATOM 975 N GLY A 61 2.483 -7.401 3.430 1.00 0.22 N ATOM 976 CA GLY A 61 3.372 -6.209 3.312 1.00 0.21 C ATOM 977 C GLY A 61 2.733 -5.010 4.017 1.00 0.20 C ATOM 978 O GLY A 61 3.401 -4.244 4.683 1.00 0.21 O ATOM 0 H GLY A 61 2.156 -7.787 2.544 1.00 0.22 H new ATOM 0 HA2 GLY A 61 4.345 -6.425 3.753 1.00 0.21 H new ATOM 0 HA3 GLY A 61 3.543 -5.975 2.261 1.00 0.21 H new ATOM 982 N VAL A 62 1.446 -4.837 3.879 1.00 0.20 N ATOM 983 CA VAL A 62 0.774 -3.684 4.546 1.00 0.21 C ATOM 984 C VAL A 62 0.991 -3.797 6.060 1.00 0.22 C ATOM 985 O VAL A 62 1.276 -2.825 6.732 1.00 0.25 O ATOM 986 CB VAL A 62 -0.737 -3.703 4.195 1.00 0.23 C ATOM 987 CG1 VAL A 62 -1.588 -3.196 5.373 1.00 0.28 C ATOM 988 CG2 VAL A 62 -0.994 -2.812 2.969 1.00 0.31 C ATOM 0 H VAL A 62 0.832 -5.443 3.335 1.00 0.20 H new ATOM 0 HA VAL A 62 1.194 -2.739 4.201 1.00 0.21 H new ATOM 0 HB VAL A 62 -1.021 -4.733 3.978 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -2.642 -3.221 5.097 1.00 0.28 H new ATOM 0 HG12 VAL A 62 -1.425 -3.835 6.241 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -1.300 -2.173 5.616 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -2.056 -2.827 2.724 1.00 0.31 H new ATOM 0 HG22 VAL A 62 -0.687 -1.790 3.191 1.00 0.31 H new ATOM 0 HG23 VAL A 62 -0.421 -3.186 2.121 1.00 0.31 H new ATOM 998 N LYS A 63 0.853 -4.974 6.597 1.00 0.24 N ATOM 999 CA LYS A 63 1.044 -5.154 8.060 1.00 0.28 C ATOM 1000 C LYS A 63 2.474 -4.758 8.441 1.00 0.26 C ATOM 1001 O LYS A 63 2.692 -4.026 9.386 1.00 0.29 O ATOM 1002 CB LYS A 63 0.793 -6.622 8.407 1.00 0.33 C ATOM 1003 CG LYS A 63 0.829 -6.834 9.935 1.00 0.47 C ATOM 1004 CD LYS A 63 1.207 -8.292 10.262 1.00 0.58 C ATOM 1005 CE LYS A 63 2.732 -8.450 10.285 1.00 1.60 C ATOM 1006 NZ LYS A 63 3.305 -7.576 11.347 1.00 2.36 N ATOM 0 H LYS A 63 0.615 -5.823 6.084 1.00 0.24 H new ATOM 0 HA LYS A 63 0.348 -4.523 8.613 1.00 0.28 H new ATOM 0 HB2 LYS A 63 -0.175 -6.934 8.014 1.00 0.33 H new ATOM 0 HB3 LYS A 63 1.547 -7.248 7.930 1.00 0.33 H new ATOM 0 HG2 LYS A 63 1.551 -6.154 10.387 1.00 0.47 H new ATOM 0 HG3 LYS A 63 -0.144 -6.598 10.365 1.00 0.47 H new ATOM 0 HD2 LYS A 63 0.790 -8.576 11.228 1.00 0.58 H new ATOM 0 HD3 LYS A 63 0.776 -8.963 9.519 1.00 0.58 H new ATOM 0 HE2 LYS A 63 2.998 -9.490 10.472 1.00 1.60 H new ATOM 0 HE3 LYS A 63 3.151 -8.184 9.315 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 4.176 -8.006 11.718 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 3.524 -6.641 10.947 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 2.616 -7.469 12.118 1.00 2.36 H new ATOM 1020 N ILE A 64 3.450 -5.232 7.717 1.00 0.25 N ATOM 1021 CA ILE A 64 4.857 -4.873 8.047 1.00 0.25 C ATOM 1022 C ILE A 64 5.016 -3.352 7.951 1.00 0.22 C ATOM 1023 O ILE A 64 5.540 -2.713 8.842 1.00 0.22 O ATOM 1024 CB ILE A 64 5.802 -5.572 7.055 1.00 0.28 C ATOM 1025 CG1 ILE A 64 5.910 -7.058 7.420 1.00 0.33 C ATOM 1026 CG2 ILE A 64 7.195 -4.934 7.110 1.00 0.32 C ATOM 1027 CD1 ILE A 64 6.491 -7.838 6.239 1.00 0.35 C ATOM 0 H ILE A 64 3.335 -5.850 6.914 1.00 0.25 H new ATOM 0 HA ILE A 64 5.104 -5.196 9.058 1.00 0.25 H new ATOM 0 HB ILE A 64 5.402 -5.464 6.047 1.00 0.28 H new ATOM 0 HG12 ILE A 64 6.545 -7.182 8.297 1.00 0.33 H new ATOM 0 HG13 ILE A 64 4.927 -7.451 7.680 1.00 0.33 H new ATOM 0 HG21 ILE A 64 7.854 -5.438 6.403 1.00 0.32 H new ATOM 0 HG22 ILE A 64 7.122 -3.878 6.849 1.00 0.32 H new ATOM 0 HG23 ILE A 64 7.600 -5.032 8.117 1.00 0.32 H new ATOM 0 HD11 ILE A 64 6.566 -8.893 6.502 1.00 0.35 H new ATOM 0 HD12 ILE A 64 5.839 -7.725 5.373 1.00 0.35 H new ATOM 0 HD13 ILE A 64 7.482 -7.452 6.000 1.00 0.35 H new ATOM 1039 N LEU A 65 4.566 -2.771 6.875 1.00 0.20 N ATOM 1040 CA LEU A 65 4.686 -1.295 6.713 1.00 0.19 C ATOM 1041 C LEU A 65 3.990 -0.590 7.883 1.00 0.19 C ATOM 1042 O LEU A 65 4.390 0.481 8.294 1.00 0.20 O ATOM 1043 CB LEU A 65 4.031 -0.869 5.388 1.00 0.22 C ATOM 1044 CG LEU A 65 4.998 -1.122 4.210 1.00 0.29 C ATOM 1045 CD1 LEU A 65 4.199 -1.337 2.922 1.00 0.69 C ATOM 1046 CD2 LEU A 65 5.926 0.087 4.020 1.00 0.42 C ATOM 0 H LEU A 65 4.118 -3.256 6.097 1.00 0.20 H new ATOM 0 HA LEU A 65 5.740 -1.016 6.701 1.00 0.19 H new ATOM 0 HB2 LEU A 65 3.106 -1.426 5.235 1.00 0.22 H new ATOM 0 HB3 LEU A 65 3.764 0.187 5.429 1.00 0.22 H new ATOM 0 HG LEU A 65 5.593 -2.008 4.432 1.00 0.29 H new ATOM 0 HD11 LEU A 65 4.885 -1.515 2.094 1.00 0.69 H new ATOM 0 HD12 LEU A 65 3.542 -2.199 3.041 1.00 0.69 H new ATOM 0 HD13 LEU A 65 3.600 -0.450 2.713 1.00 0.69 H new ATOM 0 HD21 LEU A 65 6.604 -0.102 3.187 1.00 0.42 H new ATOM 0 HD22 LEU A 65 5.329 0.974 3.808 1.00 0.42 H new ATOM 0 HD23 LEU A 65 6.505 0.248 4.929 1.00 0.42 H new ATOM 1058 N THR A 66 2.966 -1.185 8.439 1.00 0.21 N ATOM 1059 CA THR A 66 2.265 -0.554 9.589 1.00 0.25 C ATOM 1060 C THR A 66 3.015 -0.878 10.887 1.00 0.28 C ATOM 1061 O THR A 66 2.956 -0.141 11.850 1.00 0.31 O ATOM 1062 CB THR A 66 0.837 -1.098 9.664 1.00 0.29 C ATOM 1063 OG1 THR A 66 0.110 -0.676 8.518 1.00 0.43 O ATOM 1064 CG2 THR A 66 0.154 -0.573 10.923 1.00 0.36 C ATOM 0 H THR A 66 2.586 -2.084 8.142 1.00 0.21 H new ATOM 0 HA THR A 66 2.236 0.527 9.456 1.00 0.25 H new ATOM 0 HB THR A 66 0.865 -2.187 9.697 1.00 0.29 H new ATOM 0 HG1 THR A 66 0.333 -1.254 7.758 1.00 0.43 H new ATOM 0 HG21 THR A 66 -0.863 -0.962 10.974 1.00 0.36 H new ATOM 0 HG22 THR A 66 0.711 -0.898 11.802 1.00 0.36 H new ATOM 0 HG23 THR A 66 0.125 0.516 10.894 1.00 0.36 H new ATOM 1072 N ASP A 67 3.738 -1.966 10.910 1.00 0.29 N ATOM 1073 CA ASP A 67 4.508 -2.321 12.137 1.00 0.34 C ATOM 1074 C ASP A 67 5.718 -1.392 12.229 1.00 0.32 C ATOM 1075 O ASP A 67 6.038 -0.866 13.276 1.00 0.35 O ATOM 1076 CB ASP A 67 4.976 -3.777 12.052 1.00 0.40 C ATOM 1077 CG ASP A 67 5.725 -4.153 13.333 1.00 1.30 C ATOM 1078 OD1 ASP A 67 5.066 -4.415 14.326 1.00 1.94 O ATOM 1079 OD2 ASP A 67 6.944 -4.173 13.299 1.00 2.12 O ATOM 0 H ASP A 67 3.828 -2.622 10.134 1.00 0.29 H new ATOM 0 HA ASP A 67 3.880 -2.208 13.021 1.00 0.34 H new ATOM 0 HB2 ASP A 67 4.120 -4.437 11.913 1.00 0.40 H new ATOM 0 HB3 ASP A 67 5.625 -3.911 11.187 1.00 0.40 H new ATOM 1084 N ILE A 68 6.385 -1.185 11.128 1.00 0.30 N ATOM 1085 CA ILE A 68 7.572 -0.287 11.110 1.00 0.29 C ATOM 1086 C ILE A 68 7.109 1.157 11.325 1.00 0.27 C ATOM 1087 O ILE A 68 7.817 1.977 11.869 1.00 0.31 O ATOM 1088 CB ILE A 68 8.261 -0.418 9.744 1.00 0.30 C ATOM 1089 CG1 ILE A 68 8.648 -1.886 9.505 1.00 0.34 C ATOM 1090 CG2 ILE A 68 9.518 0.456 9.704 1.00 0.33 C ATOM 1091 CD1 ILE A 68 8.939 -2.110 8.019 1.00 0.35 C ATOM 0 H ILE A 68 6.154 -1.606 10.228 1.00 0.30 H new ATOM 0 HA ILE A 68 8.271 -0.560 11.901 1.00 0.29 H new ATOM 0 HB ILE A 68 7.574 -0.089 8.964 1.00 0.30 H new ATOM 0 HG12 ILE A 68 9.525 -2.142 10.099 1.00 0.34 H new ATOM 0 HG13 ILE A 68 7.840 -2.542 9.830 1.00 0.34 H new ATOM 0 HG21 ILE A 68 10.000 0.356 8.731 1.00 0.33 H new ATOM 0 HG22 ILE A 68 9.242 1.498 9.867 1.00 0.33 H new ATOM 0 HG23 ILE A 68 10.208 0.137 10.485 1.00 0.33 H new ATOM 0 HD11 ILE A 68 9.213 -3.152 7.855 1.00 0.35 H new ATOM 0 HD12 ILE A 68 8.050 -1.872 7.434 1.00 0.35 H new ATOM 0 HD13 ILE A 68 9.761 -1.466 7.708 1.00 0.35 H new ATOM 1103 N TYR A 69 5.909 1.460 10.917 1.00 0.26 N ATOM 1104 CA TYR A 69 5.380 2.842 11.108 1.00 0.26 C ATOM 1105 C TYR A 69 5.078 3.059 12.595 1.00 0.28 C ATOM 1106 O TYR A 69 5.291 4.126 13.135 1.00 0.34 O ATOM 1107 CB TYR A 69 4.100 3.029 10.286 1.00 0.29 C ATOM 1108 CG TYR A 69 3.405 4.316 10.684 1.00 0.27 C ATOM 1109 CD1 TYR A 69 2.578 4.338 11.812 1.00 1.22 C ATOM 1110 CD2 TYR A 69 3.583 5.480 9.926 1.00 1.25 C ATOM 1111 CE1 TYR A 69 1.929 5.520 12.185 1.00 1.23 C ATOM 1112 CE2 TYR A 69 2.932 6.664 10.298 1.00 1.28 C ATOM 1113 CZ TYR A 69 2.105 6.683 11.428 1.00 0.38 C ATOM 1114 OH TYR A 69 1.464 7.848 11.795 1.00 0.47 O ATOM 0 H TYR A 69 5.270 0.811 10.459 1.00 0.26 H new ATOM 0 HA TYR A 69 6.122 3.567 10.773 1.00 0.26 H new ATOM 0 HB2 TYR A 69 4.342 3.051 9.223 1.00 0.29 H new ATOM 0 HB3 TYR A 69 3.431 2.183 10.443 1.00 0.29 H new ATOM 0 HD1 TYR A 69 2.440 3.440 12.396 1.00 1.22 H new ATOM 0 HD2 TYR A 69 4.222 5.465 9.055 1.00 1.25 H new ATOM 0 HE1 TYR A 69 1.292 5.534 13.057 1.00 1.23 H new ATOM 0 HE2 TYR A 69 3.068 7.562 9.713 1.00 1.28 H new ATOM 0 HH TYR A 69 1.695 8.561 11.164 1.00 0.47 H new ATOM 1124 N LYS A 70 4.574 2.053 13.255 1.00 0.31 N ATOM 1125 CA LYS A 70 4.244 2.193 14.701 1.00 0.38 C ATOM 1126 C LYS A 70 5.523 2.198 15.546 1.00 0.38 C ATOM 1127 O LYS A 70 5.556 2.761 16.622 1.00 0.45 O ATOM 1128 CB LYS A 70 3.366 1.015 15.137 1.00 0.50 C ATOM 1129 CG LYS A 70 1.992 1.111 14.463 1.00 0.79 C ATOM 1130 CD LYS A 70 1.284 -0.246 14.537 1.00 0.88 C ATOM 1131 CE LYS A 70 1.141 -0.676 15.998 1.00 1.50 C ATOM 1132 NZ LYS A 70 0.163 -1.797 16.090 1.00 2.26 N ATOM 0 H LYS A 70 4.376 1.137 12.853 1.00 0.31 H new ATOM 0 HA LYS A 70 3.715 3.134 14.849 1.00 0.38 H new ATOM 0 HB2 LYS A 70 3.847 0.074 14.870 1.00 0.50 H new ATOM 0 HB3 LYS A 70 3.250 1.018 16.221 1.00 0.50 H new ATOM 0 HG2 LYS A 70 1.388 1.874 14.954 1.00 0.79 H new ATOM 0 HG3 LYS A 70 2.107 1.416 13.423 1.00 0.79 H new ATOM 0 HD2 LYS A 70 0.301 -0.180 14.070 1.00 0.88 H new ATOM 0 HD3 LYS A 70 1.851 -0.993 13.982 1.00 0.88 H new ATOM 0 HE2 LYS A 70 2.108 -0.989 16.393 1.00 1.50 H new ATOM 0 HE3 LYS A 70 0.805 0.165 16.605 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 0.064 -2.091 17.083 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 -0.760 -1.483 15.728 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 0.502 -2.600 15.523 1.00 2.26 H new ATOM 1146 N GLU A 71 6.566 1.549 15.086 1.00 0.40 N ATOM 1147 CA GLU A 71 7.834 1.487 15.886 1.00 0.52 C ATOM 1148 C GLU A 71 8.894 2.445 15.326 1.00 0.55 C ATOM 1149 O GLU A 71 9.767 2.896 16.041 1.00 1.13 O ATOM 1150 CB GLU A 71 8.385 0.060 15.828 1.00 0.63 C ATOM 1151 CG GLU A 71 9.478 -0.105 16.887 1.00 0.99 C ATOM 1152 CD GLU A 71 10.129 -1.482 16.746 1.00 1.55 C ATOM 1153 OE1 GLU A 71 9.417 -2.423 16.437 1.00 2.27 O ATOM 1154 OE2 GLU A 71 11.328 -1.572 16.953 1.00 2.13 O ATOM 0 H GLU A 71 6.596 1.059 14.192 1.00 0.40 H new ATOM 0 HA GLU A 71 7.609 1.779 16.912 1.00 0.52 H new ATOM 0 HB2 GLU A 71 7.584 -0.659 16.001 1.00 0.63 H new ATOM 0 HB3 GLU A 71 8.789 -0.146 14.837 1.00 0.63 H new ATOM 0 HG2 GLU A 71 10.229 0.676 16.773 1.00 0.99 H new ATOM 0 HG3 GLU A 71 9.052 0.006 17.884 1.00 0.99 H new ATOM 1161 N ALA A 72 8.846 2.747 14.052 1.00 0.59 N ATOM 1162 CA ALA A 72 9.877 3.658 13.459 1.00 0.57 C ATOM 1163 C ALA A 72 9.402 5.112 13.518 1.00 0.65 C ATOM 1164 O ALA A 72 8.929 5.654 12.544 1.00 1.23 O ATOM 1165 CB ALA A 72 10.136 3.266 11.997 1.00 0.60 C ATOM 0 H ALA A 72 8.142 2.405 13.399 1.00 0.59 H new ATOM 0 HA ALA A 72 10.798 3.562 14.034 1.00 0.57 H new ATOM 0 HB1 ALA A 72 10.886 3.931 11.569 1.00 0.60 H new ATOM 0 HB2 ALA A 72 10.496 2.238 11.954 1.00 0.60 H new ATOM 0 HB3 ALA A 72 9.210 3.350 11.428 1.00 0.60 H new ATOM 1171 N GLU A 73 9.538 5.747 14.651 1.00 0.71 N ATOM 1172 CA GLU A 73 9.112 7.173 14.772 1.00 0.77 C ATOM 1173 C GLU A 73 10.010 8.041 13.870 1.00 0.65 C ATOM 1174 O GLU A 73 10.688 8.936 14.335 1.00 1.06 O ATOM 1175 CB GLU A 73 9.273 7.616 16.226 1.00 1.08 C ATOM 1176 CG GLU A 73 8.258 6.873 17.099 1.00 1.79 C ATOM 1177 CD GLU A 73 6.861 7.451 16.865 1.00 2.15 C ATOM 1178 OE1 GLU A 73 6.707 8.653 17.006 1.00 2.60 O ATOM 1179 OE2 GLU A 73 5.968 6.681 16.549 1.00 2.62 O ATOM 0 H GLU A 73 9.927 5.339 15.501 1.00 0.71 H new ATOM 0 HA GLU A 73 8.071 7.282 14.468 1.00 0.77 H new ATOM 0 HB2 GLU A 73 10.286 7.409 16.571 1.00 1.08 H new ATOM 0 HB3 GLU A 73 9.122 8.692 16.309 1.00 1.08 H new ATOM 0 HG2 GLU A 73 8.267 5.809 16.860 1.00 1.79 H new ATOM 0 HG3 GLU A 73 8.530 6.966 18.150 1.00 1.79 H new ATOM 1186 N SER A 74 10.031 7.774 12.585 1.00 0.75 N ATOM 1187 CA SER A 74 10.896 8.571 11.658 1.00 0.62 C ATOM 1188 C SER A 74 10.639 8.123 10.211 1.00 0.55 C ATOM 1189 O SER A 74 10.021 8.831 9.442 1.00 0.63 O ATOM 1190 CB SER A 74 12.367 8.353 12.014 1.00 0.82 C ATOM 1191 OG SER A 74 13.183 8.832 10.954 1.00 1.55 O ATOM 0 H SER A 74 9.485 7.037 12.138 1.00 0.75 H new ATOM 0 HA SER A 74 10.658 9.630 11.757 1.00 0.62 H new ATOM 0 HB2 SER A 74 12.610 8.875 12.940 1.00 0.82 H new ATOM 0 HB3 SER A 74 12.558 7.294 12.185 1.00 0.82 H new ATOM 0 HG SER A 74 14.127 8.695 11.180 1.00 1.55 H new ATOM 1197 N ARG A 75 11.101 6.949 9.831 1.00 0.48 N ATOM 1198 CA ARG A 75 10.865 6.454 8.438 1.00 0.45 C ATOM 1199 C ARG A 75 9.368 6.532 8.083 1.00 0.42 C ATOM 1200 O ARG A 75 8.963 6.160 7.000 1.00 0.50 O ATOM 1201 CB ARG A 75 11.320 4.994 8.339 1.00 0.52 C ATOM 1202 CG ARG A 75 12.812 4.873 8.697 1.00 0.81 C ATOM 1203 CD ARG A 75 13.694 5.276 7.505 1.00 1.10 C ATOM 1204 NE ARG A 75 13.796 6.762 7.439 1.00 1.49 N ATOM 1205 CZ ARG A 75 14.704 7.320 6.685 1.00 2.08 C ATOM 1206 NH1 ARG A 75 15.518 6.578 5.986 1.00 2.63 N ATOM 1207 NH2 ARG A 75 14.796 8.621 6.630 1.00 2.72 N ATOM 0 H ARG A 75 11.631 6.315 10.429 1.00 0.48 H new ATOM 0 HA ARG A 75 11.429 7.078 7.745 1.00 0.45 H new ATOM 0 HB2 ARG A 75 10.726 4.375 9.012 1.00 0.52 H new ATOM 0 HB3 ARG A 75 11.150 4.621 7.329 1.00 0.52 H new ATOM 0 HG2 ARG A 75 13.038 5.508 9.553 1.00 0.81 H new ATOM 0 HG3 ARG A 75 13.038 3.848 8.992 1.00 0.81 H new ATOM 0 HD2 ARG A 75 14.686 4.837 7.609 1.00 1.10 H new ATOM 0 HD3 ARG A 75 13.270 4.889 6.578 1.00 1.10 H new ATOM 0 HE ARG A 75 13.157 7.342 7.982 1.00 1.49 H new ATOM 0 HH11 ARG A 75 15.445 5.561 6.028 1.00 2.63 H new ATOM 0 HH12 ARG A 75 16.227 7.014 5.397 1.00 2.63 H new ATOM 0 HH21 ARG A 75 14.159 9.201 7.176 1.00 2.72 H new ATOM 0 HH22 ARG A 75 15.505 9.058 6.041 1.00 2.72 H new ATOM 1221 N ARG A 76 8.547 7.011 8.980 1.00 0.41 N ATOM 1222 CA ARG A 76 7.089 7.110 8.687 1.00 0.47 C ATOM 1223 C ARG A 76 6.880 7.812 7.343 1.00 0.43 C ATOM 1224 O ARG A 76 6.003 7.461 6.578 1.00 0.45 O ATOM 1225 CB ARG A 76 6.405 7.923 9.786 1.00 0.57 C ATOM 1226 CG ARG A 76 6.583 7.210 11.125 1.00 1.08 C ATOM 1227 CD ARG A 76 5.847 7.977 12.224 1.00 1.14 C ATOM 1228 NE ARG A 76 6.641 9.180 12.599 1.00 1.76 N ATOM 1229 CZ ARG A 76 6.100 10.121 13.322 1.00 2.01 C ATOM 1230 NH1 ARG A 76 4.868 9.999 13.733 1.00 1.55 N ATOM 1231 NH2 ARG A 76 6.793 11.180 13.639 1.00 3.05 N ATOM 0 H ARG A 76 8.825 7.339 9.905 1.00 0.41 H new ATOM 0 HA ARG A 76 6.662 6.108 8.646 1.00 0.47 H new ATOM 0 HB2 ARG A 76 6.833 8.924 9.834 1.00 0.57 H new ATOM 0 HB3 ARG A 76 5.345 8.040 9.561 1.00 0.57 H new ATOM 0 HG2 ARG A 76 6.198 6.192 11.059 1.00 1.08 H new ATOM 0 HG3 ARG A 76 7.643 7.135 11.369 1.00 1.08 H new ATOM 0 HD2 ARG A 76 4.857 8.274 11.876 1.00 1.14 H new ATOM 0 HD3 ARG A 76 5.701 7.338 13.094 1.00 1.14 H new ATOM 0 HE ARG A 76 7.609 9.268 12.290 1.00 1.76 H new ATOM 0 HH11 ARG A 76 4.329 9.168 13.489 1.00 1.55 H new ATOM 0 HH12 ARG A 76 4.444 10.734 14.299 1.00 1.55 H new ATOM 0 HH21 ARG A 76 7.758 11.272 13.321 1.00 3.05 H new ATOM 0 HH22 ARG A 76 6.370 11.916 14.204 1.00 3.05 H new ATOM 1245 N ARG A 77 7.666 8.814 7.058 1.00 0.40 N ATOM 1246 CA ARG A 77 7.497 9.549 5.774 1.00 0.43 C ATOM 1247 C ARG A 77 7.482 8.555 4.610 1.00 0.39 C ATOM 1248 O ARG A 77 6.605 8.587 3.770 1.00 0.39 O ATOM 1249 CB ARG A 77 8.658 10.530 5.596 1.00 0.48 C ATOM 1250 CG ARG A 77 8.341 11.498 4.455 1.00 1.10 C ATOM 1251 CD ARG A 77 9.548 12.402 4.201 1.00 1.24 C ATOM 1252 NE ARG A 77 9.809 13.232 5.411 1.00 1.80 N ATOM 1253 CZ ARG A 77 10.942 13.868 5.534 1.00 2.30 C ATOM 1254 NH1 ARG A 77 11.843 13.784 4.594 1.00 2.43 N ATOM 1255 NH2 ARG A 77 11.173 14.589 6.597 1.00 3.22 N ATOM 0 H ARG A 77 8.417 9.155 7.658 1.00 0.40 H new ATOM 0 HA ARG A 77 6.555 10.097 5.790 1.00 0.43 H new ATOM 0 HB2 ARG A 77 8.825 11.083 6.520 1.00 0.48 H new ATOM 0 HB3 ARG A 77 9.577 9.986 5.380 1.00 0.48 H new ATOM 0 HG2 ARG A 77 8.093 10.942 3.551 1.00 1.10 H new ATOM 0 HG3 ARG A 77 7.469 12.101 4.707 1.00 1.10 H new ATOM 0 HD2 ARG A 77 10.425 11.799 3.964 1.00 1.24 H new ATOM 0 HD3 ARG A 77 9.361 13.044 3.340 1.00 1.24 H new ATOM 0 HE ARG A 77 9.102 13.303 6.143 1.00 1.80 H new ATOM 0 HH11 ARG A 77 11.662 13.221 3.763 1.00 2.43 H new ATOM 0 HH12 ARG A 77 12.728 14.281 4.690 1.00 2.43 H new ATOM 0 HH21 ARG A 77 10.468 14.655 7.331 1.00 3.22 H new ATOM 0 HH22 ARG A 77 12.058 15.086 6.693 1.00 3.22 H new ATOM 1269 N GLU A 78 8.440 7.672 4.550 1.00 0.36 N ATOM 1270 CA GLU A 78 8.466 6.683 3.436 1.00 0.36 C ATOM 1271 C GLU A 78 7.305 5.697 3.602 1.00 0.30 C ATOM 1272 O GLU A 78 6.767 5.189 2.638 1.00 0.32 O ATOM 1273 CB GLU A 78 9.795 5.919 3.461 1.00 0.40 C ATOM 1274 CG GLU A 78 10.908 6.800 2.887 1.00 0.91 C ATOM 1275 CD GLU A 78 11.019 8.086 3.707 1.00 1.56 C ATOM 1276 OE1 GLU A 78 11.229 7.986 4.905 1.00 2.33 O ATOM 1277 OE2 GLU A 78 10.894 9.150 3.123 1.00 2.13 O ATOM 0 H GLU A 78 9.204 7.592 5.222 1.00 0.36 H new ATOM 0 HA GLU A 78 8.366 7.205 2.484 1.00 0.36 H new ATOM 0 HB2 GLU A 78 10.039 5.628 4.483 1.00 0.40 H new ATOM 0 HB3 GLU A 78 9.709 5.001 2.880 1.00 0.40 H new ATOM 0 HG2 GLU A 78 11.856 6.263 2.904 1.00 0.91 H new ATOM 0 HG3 GLU A 78 10.696 7.039 1.845 1.00 0.91 H new ATOM 1284 N CYS A 79 6.917 5.416 4.818 1.00 0.27 N ATOM 1285 CA CYS A 79 5.796 4.458 5.039 1.00 0.25 C ATOM 1286 C CYS A 79 4.469 5.101 4.625 1.00 0.23 C ATOM 1287 O CYS A 79 3.643 4.478 3.989 1.00 0.24 O ATOM 1288 CB CYS A 79 5.738 4.071 6.518 1.00 0.29 C ATOM 1289 SG CYS A 79 7.393 3.611 7.087 1.00 1.19 S ATOM 0 H CYS A 79 7.327 5.808 5.666 1.00 0.27 H new ATOM 0 HA CYS A 79 5.964 3.566 4.435 1.00 0.25 H new ATOM 0 HB2 CYS A 79 5.358 4.905 7.108 1.00 0.29 H new ATOM 0 HB3 CYS A 79 5.049 3.239 6.660 1.00 0.29 H new ATOM 0 HG CYS A 79 8.203 4.615 6.924 1.00 1.19 H new ATOM 1295 N LEU A 80 4.255 6.341 4.977 1.00 0.23 N ATOM 1296 CA LEU A 80 2.977 7.007 4.595 1.00 0.23 C ATOM 1297 C LEU A 80 2.787 6.896 3.081 1.00 0.21 C ATOM 1298 O LEU A 80 1.723 6.556 2.603 1.00 0.21 O ATOM 1299 CB LEU A 80 3.021 8.487 4.997 1.00 0.26 C ATOM 1300 CG LEU A 80 2.961 8.628 6.528 1.00 0.27 C ATOM 1301 CD1 LEU A 80 3.328 10.063 6.915 1.00 0.34 C ATOM 1302 CD2 LEU A 80 1.547 8.310 7.048 1.00 0.42 C ATOM 0 H LEU A 80 4.906 6.918 5.509 1.00 0.23 H new ATOM 0 HA LEU A 80 2.147 6.522 5.109 1.00 0.23 H new ATOM 0 HB2 LEU A 80 3.934 8.946 4.618 1.00 0.26 H new ATOM 0 HB3 LEU A 80 2.185 9.019 4.543 1.00 0.26 H new ATOM 0 HG LEU A 80 3.665 7.925 6.973 1.00 0.27 H new ATOM 0 HD11 LEU A 80 3.287 10.169 7.999 1.00 0.34 H new ATOM 0 HD12 LEU A 80 4.336 10.287 6.566 1.00 0.34 H new ATOM 0 HD13 LEU A 80 2.622 10.755 6.456 1.00 0.34 H new ATOM 0 HD21 LEU A 80 1.526 8.416 8.133 1.00 0.42 H new ATOM 0 HD22 LEU A 80 0.831 9.001 6.602 1.00 0.42 H new ATOM 0 HD23 LEU A 80 1.281 7.288 6.778 1.00 0.42 H new ATOM 1314 N TYR A 81 3.811 7.178 2.322 1.00 0.22 N ATOM 1315 CA TYR A 81 3.688 7.086 0.840 1.00 0.23 C ATOM 1316 C TYR A 81 3.520 5.618 0.432 1.00 0.22 C ATOM 1317 O TYR A 81 2.672 5.281 -0.370 1.00 0.22 O ATOM 1318 CB TYR A 81 4.951 7.658 0.190 1.00 0.26 C ATOM 1319 CG TYR A 81 4.713 7.865 -1.290 1.00 0.30 C ATOM 1320 CD1 TYR A 81 3.858 8.885 -1.723 1.00 1.26 C ATOM 1321 CD2 TYR A 81 5.350 7.041 -2.228 1.00 1.05 C ATOM 1322 CE1 TYR A 81 3.638 9.082 -3.092 1.00 1.31 C ATOM 1323 CE2 TYR A 81 5.129 7.238 -3.597 1.00 1.04 C ATOM 1324 CZ TYR A 81 4.273 8.258 -4.029 1.00 0.46 C ATOM 1325 OH TYR A 81 4.057 8.452 -5.378 1.00 0.55 O ATOM 0 H TYR A 81 4.727 7.468 2.664 1.00 0.22 H new ATOM 0 HA TYR A 81 2.819 7.655 0.509 1.00 0.23 H new ATOM 0 HB2 TYR A 81 5.218 8.604 0.661 1.00 0.26 H new ATOM 0 HB3 TYR A 81 5.790 6.979 0.342 1.00 0.26 H new ATOM 0 HD1 TYR A 81 3.367 9.521 -1.001 1.00 1.26 H new ATOM 0 HD2 TYR A 81 6.011 6.254 -1.895 1.00 1.05 H new ATOM 0 HE1 TYR A 81 2.978 9.870 -3.425 1.00 1.31 H new ATOM 0 HE2 TYR A 81 5.619 6.603 -4.320 1.00 1.04 H new ATOM 0 HH TYR A 81 4.574 7.796 -5.890 1.00 0.55 H new ATOM 1335 N TYR A 82 4.323 4.745 0.977 1.00 0.23 N ATOM 1336 CA TYR A 82 4.211 3.298 0.618 1.00 0.23 C ATOM 1337 C TYR A 82 2.867 2.733 1.108 1.00 0.22 C ATOM 1338 O TYR A 82 2.300 1.858 0.485 1.00 0.24 O ATOM 1339 CB TYR A 82 5.374 2.518 1.264 1.00 0.25 C ATOM 1340 CG TYR A 82 6.595 2.551 0.363 1.00 0.25 C ATOM 1341 CD1 TYR A 82 7.134 3.778 -0.042 1.00 1.13 C ATOM 1342 CD2 TYR A 82 7.188 1.353 -0.064 1.00 1.30 C ATOM 1343 CE1 TYR A 82 8.263 3.809 -0.871 1.00 1.12 C ATOM 1344 CE2 TYR A 82 8.316 1.385 -0.893 1.00 1.33 C ATOM 1345 CZ TYR A 82 8.853 2.613 -1.297 1.00 0.31 C ATOM 1346 OH TYR A 82 9.965 2.644 -2.114 1.00 0.36 O ATOM 0 H TYR A 82 5.052 4.969 1.655 1.00 0.23 H new ATOM 0 HA TYR A 82 4.261 3.193 -0.466 1.00 0.23 H new ATOM 0 HB2 TYR A 82 5.617 2.952 2.234 1.00 0.25 H new ATOM 0 HB3 TYR A 82 5.073 1.486 1.443 1.00 0.25 H new ATOM 0 HD1 TYR A 82 6.679 4.701 0.285 1.00 1.13 H new ATOM 0 HD2 TYR A 82 6.774 0.405 0.247 1.00 1.30 H new ATOM 0 HE1 TYR A 82 8.678 4.756 -1.182 1.00 1.12 H new ATOM 0 HE2 TYR A 82 8.772 0.462 -1.221 1.00 1.33 H new ATOM 0 HH TYR A 82 10.249 1.728 -2.315 1.00 0.36 H new ATOM 1356 N LEU A 83 2.336 3.227 2.197 1.00 0.21 N ATOM 1357 CA LEU A 83 1.024 2.704 2.669 1.00 0.20 C ATOM 1358 C LEU A 83 -0.040 3.141 1.679 1.00 0.20 C ATOM 1359 O LEU A 83 -0.904 2.368 1.332 1.00 0.25 O ATOM 1360 CB LEU A 83 0.700 3.258 4.063 1.00 0.20 C ATOM 1361 CG LEU A 83 1.550 2.539 5.132 1.00 0.22 C ATOM 1362 CD1 LEU A 83 1.691 3.433 6.367 1.00 0.24 C ATOM 1363 CD2 LEU A 83 0.882 1.219 5.550 1.00 0.25 C ATOM 0 H LEU A 83 2.750 3.961 2.772 1.00 0.21 H new ATOM 0 HA LEU A 83 1.058 1.617 2.735 1.00 0.20 H new ATOM 0 HB2 LEU A 83 0.897 4.330 4.091 1.00 0.20 H new ATOM 0 HB3 LEU A 83 -0.360 3.123 4.279 1.00 0.20 H new ATOM 0 HG LEU A 83 2.532 2.329 4.708 1.00 0.22 H new ATOM 0 HD11 LEU A 83 2.292 2.922 7.119 1.00 0.24 H new ATOM 0 HD12 LEU A 83 2.178 4.367 6.086 1.00 0.24 H new ATOM 0 HD13 LEU A 83 0.703 3.648 6.776 1.00 0.24 H new ATOM 0 HD21 LEU A 83 1.494 0.724 6.304 1.00 0.25 H new ATOM 0 HD22 LEU A 83 -0.106 1.426 5.962 1.00 0.25 H new ATOM 0 HD23 LEU A 83 0.783 0.570 4.680 1.00 0.25 H new ATOM 1375 N THR A 84 0.017 4.356 1.191 1.00 0.19 N ATOM 1376 CA THR A 84 -0.997 4.802 0.203 1.00 0.19 C ATOM 1377 C THR A 84 -1.000 3.827 -0.969 1.00 0.22 C ATOM 1378 O THR A 84 -2.037 3.416 -1.451 1.00 0.24 O ATOM 1379 CB THR A 84 -0.609 6.198 -0.298 1.00 0.20 C ATOM 1380 OG1 THR A 84 -0.388 7.056 0.812 1.00 0.22 O ATOM 1381 CG2 THR A 84 -1.727 6.767 -1.171 1.00 0.18 C ATOM 0 H THR A 84 0.722 5.051 1.437 1.00 0.19 H new ATOM 0 HA THR A 84 -1.987 4.833 0.658 1.00 0.19 H new ATOM 0 HB THR A 84 0.304 6.126 -0.889 1.00 0.20 H new ATOM 0 HG1 THR A 84 0.468 6.832 1.233 1.00 0.22 H new ATOM 0 HG21 THR A 84 -1.444 7.759 -1.523 1.00 0.18 H new ATOM 0 HG22 THR A 84 -1.890 6.111 -2.026 1.00 0.18 H new ATOM 0 HG23 THR A 84 -2.645 6.837 -0.587 1.00 0.18 H new ATOM 1389 N ILE A 85 0.162 3.458 -1.432 1.00 0.23 N ATOM 1390 CA ILE A 85 0.240 2.512 -2.575 1.00 0.27 C ATOM 1391 C ILE A 85 -0.149 1.108 -2.112 1.00 0.29 C ATOM 1392 O ILE A 85 -0.905 0.416 -2.765 1.00 0.31 O ATOM 1393 CB ILE A 85 1.670 2.483 -3.126 1.00 0.29 C ATOM 1394 CG1 ILE A 85 2.086 3.909 -3.525 1.00 0.31 C ATOM 1395 CG2 ILE A 85 1.724 1.541 -4.342 1.00 0.32 C ATOM 1396 CD1 ILE A 85 3.542 3.923 -4.003 1.00 0.61 C ATOM 0 H ILE A 85 1.061 3.772 -1.066 1.00 0.23 H new ATOM 0 HA ILE A 85 -0.446 2.841 -3.356 1.00 0.27 H new ATOM 0 HB ILE A 85 2.360 2.115 -2.367 1.00 0.29 H new ATOM 0 HG12 ILE A 85 1.433 4.278 -4.316 1.00 0.31 H new ATOM 0 HG13 ILE A 85 1.969 4.581 -2.675 1.00 0.31 H new ATOM 0 HG21 ILE A 85 2.739 1.516 -4.738 1.00 0.32 H new ATOM 0 HG22 ILE A 85 1.429 0.537 -4.038 1.00 0.32 H new ATOM 0 HG23 ILE A 85 1.042 1.902 -5.112 1.00 0.32 H new ATOM 0 HD11 ILE A 85 3.824 4.938 -4.282 1.00 0.61 H new ATOM 0 HD12 ILE A 85 4.192 3.574 -3.200 1.00 0.61 H new ATOM 0 HD13 ILE A 85 3.648 3.267 -4.867 1.00 0.61 H new ATOM 1408 N GLY A 86 0.379 0.672 -1.002 1.00 0.30 N ATOM 1409 CA GLY A 86 0.064 -0.695 -0.512 1.00 0.33 C ATOM 1410 C GLY A 86 -1.432 -0.845 -0.228 1.00 0.33 C ATOM 1411 O GLY A 86 -2.004 -1.891 -0.463 1.00 0.39 O ATOM 0 H GLY A 86 1.017 1.207 -0.413 1.00 0.30 H new ATOM 0 HA2 GLY A 86 0.372 -1.431 -1.254 1.00 0.33 H new ATOM 0 HA3 GLY A 86 0.632 -0.900 0.395 1.00 0.33 H new ATOM 1415 N CYS A 87 -2.081 0.168 0.290 1.00 0.29 N ATOM 1416 CA CYS A 87 -3.531 0.019 0.585 1.00 0.30 C ATOM 1417 C CYS A 87 -4.345 0.153 -0.707 1.00 0.35 C ATOM 1418 O CYS A 87 -5.372 -0.478 -0.868 1.00 0.42 O ATOM 1419 CB CYS A 87 -3.973 1.075 1.591 1.00 0.29 C ATOM 1420 SG CYS A 87 -3.493 2.699 0.991 1.00 1.29 S ATOM 0 H CYS A 87 -1.674 1.076 0.517 1.00 0.29 H new ATOM 0 HA CYS A 87 -3.704 -0.969 1.012 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -5.053 1.031 1.732 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -3.517 0.883 2.562 1.00 0.29 H new ATOM 0 HG CYS A 87 -2.209 2.851 1.129 1.00 1.29 H new ATOM 1426 N TYR A 88 -3.906 0.973 -1.631 1.00 0.33 N ATOM 1427 CA TYR A 88 -4.667 1.143 -2.902 1.00 0.40 C ATOM 1428 C TYR A 88 -4.890 -0.226 -3.550 1.00 0.43 C ATOM 1429 O TYR A 88 -5.961 -0.527 -4.038 1.00 0.52 O ATOM 1430 CB TYR A 88 -3.862 2.037 -3.850 1.00 0.46 C ATOM 1431 CG TYR A 88 -4.670 2.339 -5.090 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -4.657 1.446 -6.169 1.00 1.37 C ATOM 1433 CD2 TYR A 88 -5.426 3.516 -5.166 1.00 1.24 C ATOM 1434 CE1 TYR A 88 -5.398 1.730 -7.323 1.00 1.37 C ATOM 1435 CE2 TYR A 88 -6.168 3.799 -6.320 1.00 1.28 C ATOM 1436 CZ TYR A 88 -6.153 2.906 -7.398 1.00 0.59 C ATOM 1437 OH TYR A 88 -6.882 3.186 -8.536 1.00 0.66 O ATOM 0 H TYR A 88 -3.055 1.530 -1.558 1.00 0.33 H new ATOM 0 HA TYR A 88 -5.633 1.604 -2.696 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -3.594 2.966 -3.346 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -2.930 1.543 -4.125 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -4.075 0.538 -6.111 1.00 1.37 H new ATOM 0 HD2 TYR A 88 -5.437 4.205 -4.335 1.00 1.24 H new ATOM 0 HE1 TYR A 88 -5.387 1.041 -8.155 1.00 1.37 H new ATOM 0 HE2 TYR A 88 -6.752 4.706 -6.378 1.00 1.28 H new ATOM 0 HH TYR A 88 -7.350 4.040 -8.423 1.00 0.66 H new ATOM 1447 N LYS A 89 -3.881 -1.051 -3.565 1.00 0.43 N ATOM 1448 CA LYS A 89 -4.030 -2.397 -4.189 1.00 0.51 C ATOM 1449 C LYS A 89 -5.133 -3.173 -3.451 1.00 0.36 C ATOM 1450 O LYS A 89 -5.737 -4.079 -3.992 1.00 0.37 O ATOM 1451 CB LYS A 89 -2.680 -3.145 -4.114 1.00 0.70 C ATOM 1452 CG LYS A 89 -2.445 -3.964 -5.399 1.00 1.00 C ATOM 1453 CD LYS A 89 -1.865 -3.063 -6.499 1.00 1.24 C ATOM 1454 CE LYS A 89 -1.636 -3.887 -7.768 1.00 1.56 C ATOM 1455 NZ LYS A 89 -2.931 -4.470 -8.222 1.00 2.05 N ATOM 0 H LYS A 89 -2.960 -0.853 -3.173 1.00 0.43 H new ATOM 0 HA LYS A 89 -4.313 -2.302 -5.237 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -1.868 -2.430 -3.978 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -2.671 -3.806 -3.247 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -1.761 -4.788 -5.195 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -3.383 -4.404 -5.736 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -2.548 -2.239 -6.706 1.00 1.24 H new ATOM 0 HD3 LYS A 89 -0.926 -2.622 -6.165 1.00 1.24 H new ATOM 0 HE2 LYS A 89 -1.213 -3.258 -8.552 1.00 1.56 H new ATOM 0 HE3 LYS A 89 -0.915 -4.681 -7.574 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 -2.990 -4.419 -9.259 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 -2.989 -5.464 -7.920 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 -3.718 -3.935 -7.804 1.00 2.05 H new ATOM 1469 N LEU A 90 -5.414 -2.803 -2.228 1.00 0.32 N ATOM 1470 CA LEU A 90 -6.495 -3.485 -1.448 1.00 0.47 C ATOM 1471 C LEU A 90 -7.724 -2.577 -1.445 1.00 0.56 C ATOM 1472 O LEU A 90 -8.603 -2.721 -0.618 1.00 0.89 O ATOM 1473 CB LEU A 90 -6.053 -3.686 0.009 1.00 0.55 C ATOM 1474 CG LEU A 90 -4.765 -4.512 0.081 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -4.278 -4.547 1.534 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -5.027 -5.944 -0.408 1.00 0.56 C ATOM 0 H LEU A 90 -4.937 -2.051 -1.730 1.00 0.32 H new ATOM 0 HA LEU A 90 -6.711 -4.453 -1.901 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -5.895 -2.717 0.482 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -6.843 -4.188 0.567 1.00 0.55 H new ATOM 0 HG LEU A 90 -4.006 -4.057 -0.556 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -3.361 -5.133 1.596 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -4.083 -3.531 1.877 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -5.043 -5.002 2.163 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -4.105 -6.522 -0.352 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -5.786 -6.410 0.221 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -5.377 -5.918 -1.440 1.00 0.56 H new ATOM 1488 N GLY A 91 -7.780 -1.624 -2.344 1.00 0.56 N ATOM 1489 CA GLY A 91 -8.926 -0.669 -2.384 1.00 0.91 C ATOM 1490 C GLY A 91 -9.397 -0.287 -0.983 1.00 0.69 C ATOM 1491 O GLY A 91 -10.538 0.079 -0.789 1.00 0.69 O ATOM 0 H GLY A 91 -7.070 -1.468 -3.060 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -8.631 0.230 -2.926 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -9.753 -1.117 -2.936 1.00 0.91 H new ATOM 1495 N GLU A 92 -8.523 -0.293 -0.021 1.00 0.54 N ATOM 1496 CA GLU A 92 -8.921 0.160 1.337 1.00 0.42 C ATOM 1497 C GLU A 92 -8.735 1.677 1.328 1.00 0.34 C ATOM 1498 O GLU A 92 -8.141 2.252 2.218 1.00 0.39 O ATOM 1499 CB GLU A 92 -7.974 -0.454 2.371 1.00 0.44 C ATOM 1500 CG GLU A 92 -8.371 -1.902 2.654 1.00 0.55 C ATOM 1501 CD GLU A 92 -7.377 -2.504 3.649 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -7.227 -1.940 4.720 1.00 2.06 O ATOM 1503 OE2 GLU A 92 -6.779 -3.516 3.322 1.00 2.18 O ATOM 0 H GLU A 92 -7.552 -0.591 -0.115 1.00 0.54 H new ATOM 0 HA GLU A 92 -9.942 -0.130 1.584 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -6.948 -0.415 2.004 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -8.005 0.126 3.293 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -9.382 -1.943 3.060 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -8.375 -2.479 1.729 1.00 0.55 H new ATOM 1510 N TYR A 93 -9.173 2.314 0.271 1.00 0.33 N ATOM 1511 CA TYR A 93 -8.951 3.780 0.130 1.00 0.31 C ATOM 1512 C TYR A 93 -9.241 4.541 1.428 1.00 0.25 C ATOM 1513 O TYR A 93 -8.786 5.656 1.580 1.00 0.27 O ATOM 1514 CB TYR A 93 -9.800 4.369 -1.005 1.00 0.41 C ATOM 1515 CG TYR A 93 -9.884 3.418 -2.180 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -8.855 3.379 -3.129 1.00 1.42 C ATOM 1517 CD2 TYR A 93 -11.010 2.598 -2.337 1.00 1.28 C ATOM 1518 CE1 TYR A 93 -8.951 2.522 -4.233 1.00 1.57 C ATOM 1519 CE2 TYR A 93 -11.103 1.737 -3.438 1.00 1.35 C ATOM 1520 CZ TYR A 93 -10.075 1.701 -4.387 1.00 0.95 C ATOM 1521 OH TYR A 93 -10.170 0.859 -5.477 1.00 1.19 O ATOM 0 H TYR A 93 -9.676 1.878 -0.501 1.00 0.33 H new ATOM 0 HA TYR A 93 -7.895 3.903 -0.110 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -10.803 4.585 -0.637 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -9.369 5.316 -1.331 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -7.987 4.010 -3.010 1.00 1.42 H new ATOM 0 HD2 TYR A 93 -11.807 2.630 -1.608 1.00 1.28 H new ATOM 0 HE1 TYR A 93 -8.158 2.494 -4.966 1.00 1.57 H new ATOM 0 HE2 TYR A 93 -11.968 1.101 -3.555 1.00 1.35 H new ATOM 0 HH TYR A 93 -11.011 0.359 -5.431 1.00 1.19 H new ATOM 1531 N SER A 94 -9.932 3.991 2.393 1.00 0.24 N ATOM 1532 CA SER A 94 -10.148 4.772 3.643 1.00 0.28 C ATOM 1533 C SER A 94 -8.800 4.979 4.322 1.00 0.29 C ATOM 1534 O SER A 94 -8.517 6.029 4.864 1.00 0.39 O ATOM 1535 CB SER A 94 -11.074 3.993 4.581 1.00 0.30 C ATOM 1536 OG SER A 94 -11.071 4.613 5.861 1.00 1.12 O ATOM 0 H SER A 94 -10.346 3.059 2.371 1.00 0.24 H new ATOM 0 HA SER A 94 -10.604 5.734 3.408 1.00 0.28 H new ATOM 0 HB2 SER A 94 -12.086 3.971 4.177 1.00 0.30 H new ATOM 0 HB3 SER A 94 -10.741 2.958 4.664 1.00 0.30 H new ATOM 0 HG SER A 94 -11.664 4.119 6.465 1.00 1.12 H new ATOM 1542 N MET A 95 -7.966 3.980 4.289 1.00 0.27 N ATOM 1543 CA MET A 95 -6.629 4.103 4.922 1.00 0.36 C ATOM 1544 C MET A 95 -5.733 4.970 4.037 1.00 0.26 C ATOM 1545 O MET A 95 -5.093 5.892 4.502 1.00 0.26 O ATOM 1546 CB MET A 95 -6.017 2.706 5.077 1.00 0.48 C ATOM 1547 CG MET A 95 -6.931 1.812 5.951 1.00 0.81 C ATOM 1548 SD MET A 95 -5.954 1.004 7.249 1.00 1.25 S ATOM 1549 CE MET A 95 -5.678 2.464 8.289 1.00 0.83 C ATOM 0 H MET A 95 -8.155 3.080 3.848 1.00 0.27 H new ATOM 0 HA MET A 95 -6.721 4.567 5.904 1.00 0.36 H new ATOM 0 HB2 MET A 95 -5.882 2.250 4.096 1.00 0.48 H new ATOM 0 HB3 MET A 95 -5.029 2.783 5.532 1.00 0.48 H new ATOM 0 HG2 MET A 95 -7.720 2.415 6.401 1.00 0.81 H new ATOM 0 HG3 MET A 95 -7.419 1.060 5.330 1.00 0.81 H new ATOM 0 HE1 MET A 95 -4.611 2.681 8.335 1.00 0.83 H new ATOM 0 HE2 MET A 95 -6.204 3.318 7.864 1.00 0.83 H new ATOM 0 HE3 MET A 95 -6.053 2.271 9.294 1.00 0.83 H new ATOM 1559 N ALA A 96 -5.692 4.694 2.761 1.00 0.23 N ATOM 1560 CA ALA A 96 -4.847 5.517 1.852 1.00 0.20 C ATOM 1561 C ALA A 96 -5.206 7.001 2.029 1.00 0.18 C ATOM 1562 O ALA A 96 -4.349 7.860 2.108 1.00 0.19 O ATOM 1563 CB ALA A 96 -5.109 5.090 0.390 1.00 0.23 C ATOM 0 H ALA A 96 -6.206 3.936 2.311 1.00 0.23 H new ATOM 0 HA ALA A 96 -3.794 5.369 2.091 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -4.493 5.689 -0.280 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -4.858 4.036 0.268 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -6.161 5.243 0.149 1.00 0.23 H new ATOM 1569 N LYS A 97 -6.478 7.297 2.061 1.00 0.19 N ATOM 1570 CA LYS A 97 -6.930 8.712 2.199 1.00 0.21 C ATOM 1571 C LYS A 97 -6.337 9.349 3.458 1.00 0.21 C ATOM 1572 O LYS A 97 -5.790 10.432 3.407 1.00 0.22 O ATOM 1573 CB LYS A 97 -8.463 8.739 2.273 1.00 0.29 C ATOM 1574 CG LYS A 97 -9.005 10.117 1.861 1.00 0.44 C ATOM 1575 CD LYS A 97 -8.590 11.193 2.885 1.00 0.78 C ATOM 1576 CE LYS A 97 -9.631 12.317 2.911 1.00 1.07 C ATOM 1577 NZ LYS A 97 -10.898 11.803 3.505 1.00 2.10 N ATOM 0 H LYS A 97 -7.231 6.612 1.997 1.00 0.19 H new ATOM 0 HA LYS A 97 -6.588 9.283 1.336 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -8.877 7.970 1.620 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -8.787 8.504 3.287 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -8.627 10.382 0.874 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -10.092 10.079 1.786 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -8.498 10.748 3.876 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -7.612 11.597 2.625 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -9.259 13.160 3.494 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -9.812 12.684 1.901 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -11.404 12.583 3.971 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -11.496 11.402 2.754 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -10.679 11.065 4.205 1.00 2.10 H new ATOM 1591 N ARG A 98 -6.453 8.725 4.597 1.00 0.22 N ATOM 1592 CA ARG A 98 -5.910 9.344 5.835 1.00 0.25 C ATOM 1593 C ARG A 98 -4.385 9.515 5.755 1.00 0.20 C ATOM 1594 O ARG A 98 -3.850 10.515 6.188 1.00 0.21 O ATOM 1595 CB ARG A 98 -6.264 8.436 7.024 1.00 0.33 C ATOM 1596 CG ARG A 98 -6.252 9.247 8.318 1.00 1.18 C ATOM 1597 CD ARG A 98 -6.292 8.302 9.522 1.00 1.28 C ATOM 1598 NE ARG A 98 -7.575 7.544 9.519 1.00 1.90 N ATOM 1599 CZ ARG A 98 -7.709 6.484 10.270 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -6.726 6.099 11.037 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -8.827 5.811 10.257 1.00 3.20 N ATOM 0 H ARG A 98 -6.899 7.816 4.723 1.00 0.22 H new ATOM 0 HA ARG A 98 -6.349 10.334 5.958 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -7.247 7.991 6.873 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -5.549 7.616 7.092 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -5.357 9.868 8.361 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -7.109 9.921 8.344 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -5.450 7.611 9.483 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -6.196 8.871 10.447 1.00 1.28 H new ATOM 0 HE ARG A 98 -8.349 7.853 8.930 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -5.853 6.626 11.050 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -6.831 5.271 11.623 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -9.597 6.113 9.660 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -8.931 4.983 10.844 1.00 3.20 H new ATOM 1615 N TYR A 99 -3.676 8.548 5.236 1.00 0.21 N ATOM 1616 CA TYR A 99 -2.189 8.682 5.179 1.00 0.22 C ATOM 1617 C TYR A 99 -1.776 9.683 4.089 1.00 0.19 C ATOM 1618 O TYR A 99 -0.991 10.578 4.330 1.00 0.21 O ATOM 1619 CB TYR A 99 -1.546 7.317 4.887 1.00 0.27 C ATOM 1620 CG TYR A 99 -1.795 6.341 6.030 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -1.376 6.647 7.336 1.00 1.32 C ATOM 1622 CD2 TYR A 99 -2.431 5.114 5.778 1.00 1.17 C ATOM 1623 CE1 TYR A 99 -1.592 5.736 8.376 1.00 1.34 C ATOM 1624 CE2 TYR A 99 -2.647 4.206 6.826 1.00 1.18 C ATOM 1625 CZ TYR A 99 -2.227 4.517 8.121 1.00 0.40 C ATOM 1626 OH TYR A 99 -2.437 3.620 9.148 1.00 0.47 O ATOM 0 H TYR A 99 -4.055 7.682 4.853 1.00 0.21 H new ATOM 0 HA TYR A 99 -1.843 9.048 6.146 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -1.953 6.910 3.961 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -0.474 7.441 4.737 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -0.886 7.588 7.538 1.00 1.32 H new ATOM 0 HD2 TYR A 99 -2.754 4.869 4.777 1.00 1.17 H new ATOM 0 HE1 TYR A 99 -1.267 5.975 9.378 1.00 1.34 H new ATOM 0 HE2 TYR A 99 -3.139 3.265 6.631 1.00 1.18 H new ATOM 0 HH TYR A 99 -2.546 4.108 9.991 1.00 0.47 H new ATOM 1636 N VAL A 100 -2.280 9.540 2.893 1.00 0.18 N ATOM 1637 CA VAL A 100 -1.886 10.488 1.808 1.00 0.19 C ATOM 1638 C VAL A 100 -2.251 11.916 2.224 1.00 0.21 C ATOM 1639 O VAL A 100 -1.542 12.859 1.932 1.00 0.22 O ATOM 1640 CB VAL A 100 -2.600 10.116 0.498 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -4.074 10.522 0.563 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -1.927 10.838 -0.673 1.00 0.20 C ATOM 0 H VAL A 100 -2.943 8.814 2.620 1.00 0.18 H new ATOM 0 HA VAL A 100 -0.810 10.426 1.645 1.00 0.19 H new ATOM 0 HB VAL A 100 -2.535 9.037 0.355 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -4.567 10.253 -0.371 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -4.558 10.004 1.391 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -4.148 11.599 0.715 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -2.433 10.575 -1.602 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -1.988 11.915 -0.520 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -0.881 10.539 -0.732 1.00 0.20 H new ATOM 1652 N ASP A 101 -3.351 12.082 2.905 1.00 0.23 N ATOM 1653 CA ASP A 101 -3.758 13.447 3.340 1.00 0.27 C ATOM 1654 C ASP A 101 -2.686 14.028 4.262 1.00 0.26 C ATOM 1655 O ASP A 101 -2.227 15.138 4.077 1.00 0.29 O ATOM 1656 CB ASP A 101 -5.083 13.366 4.100 1.00 0.30 C ATOM 1657 CG ASP A 101 -5.535 14.776 4.483 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -4.942 15.721 3.989 1.00 1.79 O ATOM 1659 OD2 ASP A 101 -6.466 14.887 5.264 1.00 1.60 O ATOM 0 H ASP A 101 -3.985 11.332 3.179 1.00 0.23 H new ATOM 0 HA ASP A 101 -3.875 14.086 2.465 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -5.841 12.884 3.482 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -4.965 12.754 4.994 1.00 0.30 H new ATOM 1664 N THR A 102 -2.285 13.284 5.254 1.00 0.25 N ATOM 1665 CA THR A 102 -1.247 13.785 6.194 1.00 0.26 C ATOM 1666 C THR A 102 0.033 14.109 5.425 1.00 0.26 C ATOM 1667 O THR A 102 0.628 15.154 5.603 1.00 0.27 O ATOM 1668 CB THR A 102 -0.948 12.705 7.234 1.00 0.27 C ATOM 1669 OG1 THR A 102 -2.145 12.367 7.921 1.00 0.32 O ATOM 1670 CG2 THR A 102 0.088 13.225 8.229 1.00 0.29 C ATOM 0 H THR A 102 -2.634 12.347 5.454 1.00 0.25 H new ATOM 0 HA THR A 102 -1.611 14.686 6.687 1.00 0.26 H new ATOM 0 HB THR A 102 -0.554 11.819 6.736 1.00 0.27 H new ATOM 0 HG1 THR A 102 -2.681 11.762 7.367 1.00 0.32 H new ATOM 0 HG21 THR A 102 0.300 12.454 8.970 1.00 0.29 H new ATOM 0 HG22 THR A 102 1.005 13.481 7.699 1.00 0.29 H new ATOM 0 HG23 THR A 102 -0.301 14.112 8.729 1.00 0.29 H new ATOM 1678 N LEU A 103 0.468 13.218 4.580 1.00 0.25 N ATOM 1679 CA LEU A 103 1.719 13.472 3.814 1.00 0.27 C ATOM 1680 C LEU A 103 1.513 14.624 2.826 1.00 0.29 C ATOM 1681 O LEU A 103 2.353 15.493 2.701 1.00 0.31 O ATOM 1682 CB LEU A 103 2.118 12.204 3.050 1.00 0.29 C ATOM 1683 CG LEU A 103 3.561 12.339 2.522 1.00 0.34 C ATOM 1684 CD1 LEU A 103 4.579 12.074 3.645 1.00 0.36 C ATOM 1685 CD2 LEU A 103 3.783 11.330 1.388 1.00 0.41 C ATOM 0 H LEU A 103 0.012 12.326 4.387 1.00 0.25 H new ATOM 0 HA LEU A 103 2.511 13.744 4.511 1.00 0.27 H new ATOM 0 HB2 LEU A 103 2.041 11.336 3.704 1.00 0.29 H new ATOM 0 HB3 LEU A 103 1.432 12.039 2.219 1.00 0.29 H new ATOM 0 HG LEU A 103 3.704 13.355 2.153 1.00 0.34 H new ATOM 0 HD11 LEU A 103 5.590 12.174 3.251 1.00 0.36 H new ATOM 0 HD12 LEU A 103 4.430 12.795 4.449 1.00 0.36 H new ATOM 0 HD13 LEU A 103 4.439 11.065 4.032 1.00 0.36 H new ATOM 0 HD21 LEU A 103 4.802 11.423 1.013 1.00 0.41 H new ATOM 0 HD22 LEU A 103 3.626 10.319 1.764 1.00 0.41 H new ATOM 0 HD23 LEU A 103 3.079 11.530 0.580 1.00 0.41 H new ATOM 1697 N PHE A 104 0.419 14.646 2.109 1.00 0.29 N ATOM 1698 CA PHE A 104 0.206 15.751 1.129 1.00 0.32 C ATOM 1699 C PHE A 104 0.161 17.093 1.865 1.00 0.37 C ATOM 1700 O PHE A 104 0.600 18.105 1.354 1.00 0.41 O ATOM 1701 CB PHE A 104 -1.111 15.532 0.377 1.00 0.33 C ATOM 1702 CG PHE A 104 -1.350 16.684 -0.569 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -2.018 17.831 -0.122 1.00 1.23 C ATOM 1704 CD2 PHE A 104 -0.905 16.607 -1.895 1.00 1.17 C ATOM 1705 CE1 PHE A 104 -2.240 18.899 -1.000 1.00 1.29 C ATOM 1706 CE2 PHE A 104 -1.127 17.675 -2.772 1.00 1.19 C ATOM 1707 CZ PHE A 104 -1.795 18.821 -2.325 1.00 0.60 C ATOM 0 H PHE A 104 -0.329 13.954 2.159 1.00 0.29 H new ATOM 0 HA PHE A 104 1.030 15.759 0.415 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -1.074 14.594 -0.178 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -1.937 15.451 1.084 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -2.362 17.892 0.900 1.00 1.23 H new ATOM 0 HD2 PHE A 104 -0.390 15.723 -2.241 1.00 1.17 H new ATOM 0 HE1 PHE A 104 -2.755 19.783 -0.655 1.00 1.29 H new ATOM 0 HE2 PHE A 104 -0.783 17.615 -3.794 1.00 1.19 H new ATOM 0 HZ PHE A 104 -1.967 19.645 -3.002 1.00 0.60 H new ATOM 1717 N GLU A 105 -0.364 17.112 3.060 1.00 0.42 N ATOM 1718 CA GLU A 105 -0.430 18.392 3.822 1.00 0.52 C ATOM 1719 C GLU A 105 0.988 18.940 4.010 1.00 0.56 C ATOM 1720 O GLU A 105 1.227 20.127 3.915 1.00 0.61 O ATOM 1721 CB GLU A 105 -1.054 18.124 5.206 1.00 0.58 C ATOM 1722 CG GLU A 105 -2.584 18.152 5.111 1.00 1.20 C ATOM 1723 CD GLU A 105 -3.184 17.576 6.396 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -2.629 17.831 7.452 1.00 2.47 O ATOM 1725 OE2 GLU A 105 -4.188 16.890 6.302 1.00 2.31 O ATOM 0 H GLU A 105 -0.749 16.299 3.541 1.00 0.42 H new ATOM 0 HA GLU A 105 -1.036 19.115 3.276 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -0.723 17.155 5.581 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -0.713 18.875 5.919 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -2.931 19.174 4.961 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -2.917 17.573 4.250 1.00 1.20 H new ATOM 1838 N GLN A 112 3.637 15.134 -7.735 1.00 0.54 N ATOM 1839 CA GLN A 112 3.469 13.672 -7.936 1.00 0.49 C ATOM 1840 C GLN A 112 2.589 13.117 -6.809 1.00 0.39 C ATOM 1841 O GLN A 112 1.909 12.123 -6.963 1.00 0.37 O ATOM 1842 CB GLN A 112 4.878 13.044 -7.933 1.00 0.54 C ATOM 1843 CG GLN A 112 4.847 11.581 -7.486 1.00 1.05 C ATOM 1844 CD GLN A 112 3.825 10.804 -8.316 1.00 1.82 C ATOM 1845 OE1 GLN A 112 2.960 10.145 -7.774 1.00 2.54 O ATOM 1846 NE2 GLN A 112 3.891 10.848 -9.619 1.00 2.56 N ATOM 0 HA GLN A 112 2.978 13.439 -8.881 1.00 0.49 H new ATOM 0 HB2 GLN A 112 5.307 13.110 -8.933 1.00 0.54 H new ATOM 0 HB3 GLN A 112 5.528 13.613 -7.269 1.00 0.54 H new ATOM 0 HG2 GLN A 112 5.835 11.136 -7.601 1.00 1.05 H new ATOM 0 HG3 GLN A 112 4.591 11.520 -6.428 1.00 1.05 H new ATOM 0 HE21 GLN A 112 4.617 11.401 -10.074 1.00 2.56 H new ATOM 0 HE22 GLN A 112 3.217 10.329 -10.182 1.00 2.56 H new ATOM 1855 N VAL A 113 2.586 13.778 -5.687 1.00 0.37 N ATOM 1856 CA VAL A 113 1.739 13.327 -4.548 1.00 0.32 C ATOM 1857 C VAL A 113 0.294 13.731 -4.841 1.00 0.32 C ATOM 1858 O VAL A 113 -0.627 12.948 -4.719 1.00 0.30 O ATOM 1859 CB VAL A 113 2.213 14.008 -3.261 1.00 0.35 C ATOM 1860 CG1 VAL A 113 1.534 13.359 -2.053 1.00 0.41 C ATOM 1861 CG2 VAL A 113 3.730 13.856 -3.134 1.00 0.40 C ATOM 0 H VAL A 113 3.137 14.617 -5.508 1.00 0.37 H new ATOM 0 HA VAL A 113 1.811 12.246 -4.424 1.00 0.32 H new ATOM 0 HB VAL A 113 1.953 15.066 -3.296 1.00 0.35 H new ATOM 0 HG11 VAL A 113 1.874 13.846 -1.139 1.00 0.41 H new ATOM 0 HG12 VAL A 113 0.453 13.467 -2.142 1.00 0.41 H new ATOM 0 HG13 VAL A 113 1.791 12.300 -2.017 1.00 0.41 H new ATOM 0 HG21 VAL A 113 4.069 14.340 -2.218 1.00 0.40 H new ATOM 0 HG22 VAL A 113 3.988 12.798 -3.102 1.00 0.40 H new ATOM 0 HG23 VAL A 113 4.215 14.322 -3.992 1.00 0.40 H new ATOM 1871 N GLY A 114 0.104 14.962 -5.223 1.00 0.37 N ATOM 1872 CA GLY A 114 -1.271 15.451 -5.529 1.00 0.40 C ATOM 1873 C GLY A 114 -1.913 14.513 -6.549 1.00 0.38 C ATOM 1874 O GLY A 114 -3.110 14.302 -6.552 1.00 0.38 O ATOM 0 H GLY A 114 0.844 15.654 -5.337 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -1.870 15.486 -4.619 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -1.231 16.466 -5.923 1.00 0.40 H new ATOM 1878 N ALA A 115 -1.121 13.941 -7.410 1.00 0.38 N ATOM 1879 CA ALA A 115 -1.671 13.006 -8.430 1.00 0.38 C ATOM 1880 C ALA A 115 -2.007 11.666 -7.762 1.00 0.33 C ATOM 1881 O ALA A 115 -3.072 11.109 -7.974 1.00 0.34 O ATOM 1882 CB ALA A 115 -0.635 12.807 -9.540 1.00 0.43 C ATOM 0 H ALA A 115 -0.112 14.081 -7.452 1.00 0.38 H new ATOM 0 HA ALA A 115 -2.581 13.419 -8.865 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -1.032 12.123 -10.290 1.00 0.43 H new ATOM 0 HB2 ALA A 115 -0.412 13.767 -10.006 1.00 0.43 H new ATOM 0 HB3 ALA A 115 0.278 12.389 -9.115 1.00 0.43 H new ATOM 1888 N LEU A 116 -1.135 11.145 -6.944 1.00 0.31 N ATOM 1889 CA LEU A 116 -1.459 9.855 -6.275 1.00 0.29 C ATOM 1890 C LEU A 116 -2.782 10.034 -5.529 1.00 0.26 C ATOM 1891 O LEU A 116 -3.662 9.198 -5.589 1.00 0.25 O ATOM 1892 CB LEU A 116 -0.342 9.485 -5.289 1.00 0.32 C ATOM 1893 CG LEU A 116 -0.709 8.207 -4.516 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -0.982 7.051 -5.493 1.00 0.49 C ATOM 1895 CD2 LEU A 116 0.456 7.831 -3.592 1.00 0.68 C ATOM 0 H LEU A 116 -0.227 11.548 -6.713 1.00 0.31 H new ATOM 0 HA LEU A 116 -1.545 9.054 -7.009 1.00 0.29 H new ATOM 0 HB2 LEU A 116 0.593 9.335 -5.829 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -0.179 10.306 -4.590 1.00 0.32 H new ATOM 0 HG LEU A 116 -1.609 8.389 -3.929 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -1.240 6.153 -4.931 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -1.809 7.318 -6.151 1.00 0.49 H new ATOM 0 HD13 LEU A 116 -0.090 6.861 -6.090 1.00 0.49 H new ATOM 0 HD21 LEU A 116 0.205 6.926 -3.040 1.00 0.68 H new ATOM 0 HD22 LEU A 116 1.351 7.655 -4.188 1.00 0.68 H new ATOM 0 HD23 LEU A 116 0.641 8.644 -2.890 1.00 0.68 H new ATOM 1907 N LYS A 117 -2.927 11.127 -4.829 1.00 0.27 N ATOM 1908 CA LYS A 117 -4.191 11.371 -4.083 1.00 0.28 C ATOM 1909 C LYS A 117 -5.360 11.410 -5.072 1.00 0.28 C ATOM 1910 O LYS A 117 -6.454 10.976 -4.773 1.00 0.29 O ATOM 1911 CB LYS A 117 -4.097 12.713 -3.347 1.00 0.33 C ATOM 1912 CG LYS A 117 -5.299 12.878 -2.414 1.00 0.78 C ATOM 1913 CD LYS A 117 -5.370 14.324 -1.914 1.00 0.86 C ATOM 1914 CE LYS A 117 -4.119 14.654 -1.094 1.00 1.44 C ATOM 1915 NZ LYS A 117 -4.401 15.823 -0.214 1.00 2.16 N ATOM 0 H LYS A 117 -2.223 11.860 -4.743 1.00 0.27 H new ATOM 0 HA LYS A 117 -4.351 10.572 -3.359 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -3.171 12.760 -2.774 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -4.068 13.531 -4.066 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -6.218 12.619 -2.940 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -5.212 12.195 -1.569 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -5.452 15.007 -2.760 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -6.263 14.464 -1.304 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -3.827 13.793 -0.492 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -3.284 14.877 -1.758 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -3.535 16.387 -0.098 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -5.143 16.411 -0.645 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -4.722 15.488 0.716 1.00 2.16 H new ATOM 1929 N SER A 118 -5.136 11.936 -6.247 1.00 0.29 N ATOM 1930 CA SER A 118 -6.232 12.014 -7.253 1.00 0.31 C ATOM 1931 C SER A 118 -6.804 10.617 -7.512 1.00 0.29 C ATOM 1932 O SER A 118 -7.962 10.470 -7.852 1.00 0.30 O ATOM 1933 CB SER A 118 -5.685 12.601 -8.555 1.00 0.34 C ATOM 1934 OG SER A 118 -4.926 13.765 -8.256 1.00 1.35 O ATOM 0 H SER A 118 -4.240 12.315 -6.553 1.00 0.29 H new ATOM 0 HA SER A 118 -7.027 12.655 -6.872 1.00 0.31 H new ATOM 0 HB2 SER A 118 -5.062 11.867 -9.066 1.00 0.34 H new ATOM 0 HB3 SER A 118 -6.505 12.849 -9.229 1.00 0.34 H new ATOM 0 HG SER A 118 -4.161 13.521 -7.694 1.00 1.35 H new ATOM 1940 N MET A 119 -6.020 9.587 -7.334 1.00 0.26 N ATOM 1941 CA MET A 119 -6.547 8.203 -7.551 1.00 0.25 C ATOM 1942 C MET A 119 -7.422 7.832 -6.349 1.00 0.23 C ATOM 1943 O MET A 119 -8.507 7.301 -6.474 1.00 0.24 O ATOM 1944 CB MET A 119 -5.380 7.201 -7.632 1.00 0.26 C ATOM 1945 CG MET A 119 -4.243 7.741 -8.513 1.00 0.61 C ATOM 1946 SD MET A 119 -4.613 7.396 -10.254 1.00 1.03 S ATOM 1947 CE MET A 119 -3.107 6.471 -10.643 1.00 0.69 C ATOM 0 H MET A 119 -5.042 9.641 -7.049 1.00 0.26 H new ATOM 0 HA MET A 119 -7.117 8.169 -8.479 1.00 0.25 H new ATOM 0 HB2 MET A 119 -5.002 6.998 -6.630 1.00 0.26 H new ATOM 0 HB3 MET A 119 -5.738 6.254 -8.036 1.00 0.26 H new ATOM 0 HG2 MET A 119 -4.128 8.814 -8.360 1.00 0.61 H new ATOM 0 HG3 MET A 119 -3.298 7.276 -8.232 1.00 0.61 H new ATOM 0 HE1 MET A 119 -3.054 6.297 -11.718 1.00 0.69 H new ATOM 0 HE2 MET A 119 -2.236 7.044 -10.325 1.00 0.69 H new ATOM 0 HE3 MET A 119 -3.123 5.514 -10.121 1.00 0.69 H new ATOM 1957 N VAL A 120 -6.925 8.139 -5.188 1.00 0.21 N ATOM 1958 CA VAL A 120 -7.640 7.867 -3.911 1.00 0.20 C ATOM 1959 C VAL A 120 -8.876 8.748 -3.795 1.00 0.22 C ATOM 1960 O VAL A 120 -9.949 8.284 -3.466 1.00 0.22 O ATOM 1961 CB VAL A 120 -6.689 8.217 -2.769 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -7.285 7.743 -1.441 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -5.344 7.523 -3.009 1.00 0.23 C ATOM 0 H VAL A 120 -6.016 8.585 -5.066 1.00 0.21 H new ATOM 0 HA VAL A 120 -7.947 6.822 -3.875 1.00 0.20 H new ATOM 0 HB VAL A 120 -6.543 9.296 -2.729 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -6.605 7.994 -0.627 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -8.244 8.234 -1.277 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -7.431 6.663 -1.472 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -4.658 7.768 -2.198 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -5.493 6.444 -3.045 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -4.923 7.863 -3.955 1.00 0.23 H new ATOM 1973 N GLU A 121 -8.739 10.015 -4.034 1.00 0.25 N ATOM 1974 CA GLU A 121 -9.910 10.918 -3.899 1.00 0.29 C ATOM 1975 C GLU A 121 -10.919 10.655 -5.019 1.00 0.28 C ATOM 1976 O GLU A 121 -12.108 10.820 -4.839 1.00 0.31 O ATOM 1977 CB GLU A 121 -9.426 12.373 -3.950 1.00 0.35 C ATOM 1978 CG GLU A 121 -10.405 13.269 -3.196 1.00 1.07 C ATOM 1979 CD GLU A 121 -10.033 14.736 -3.412 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -9.948 15.142 -4.559 1.00 2.20 O ATOM 1981 OE2 GLU A 121 -9.838 15.428 -2.426 1.00 2.27 O ATOM 0 H GLU A 121 -7.869 10.466 -4.317 1.00 0.25 H new ATOM 0 HA GLU A 121 -10.405 10.731 -2.946 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -8.433 12.451 -3.508 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -9.341 12.702 -4.986 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -11.422 13.087 -3.544 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -10.385 13.032 -2.132 1.00 1.07 H new ATOM 1988 N ASP A 122 -10.467 10.253 -6.171 1.00 0.28 N ATOM 1989 CA ASP A 122 -11.425 9.992 -7.279 1.00 0.30 C ATOM 1990 C ASP A 122 -12.189 8.697 -6.996 1.00 0.28 C ATOM 1991 O ASP A 122 -13.377 8.589 -7.254 1.00 0.31 O ATOM 1992 CB ASP A 122 -10.663 9.854 -8.599 1.00 0.34 C ATOM 1993 CG ASP A 122 -11.655 9.598 -9.736 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -12.847 9.643 -9.477 1.00 1.92 O ATOM 1995 OD2 ASP A 122 -11.207 9.360 -10.845 1.00 1.89 O ATOM 0 H ASP A 122 -9.484 10.095 -6.393 1.00 0.28 H new ATOM 0 HA ASP A 122 -12.126 10.823 -7.352 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -10.091 10.761 -8.798 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -9.948 9.034 -8.534 1.00 0.34 H new ATOM 2000 N LYS A 123 -11.524 7.709 -6.462 1.00 0.27 N ATOM 2001 CA LYS A 123 -12.215 6.428 -6.173 1.00 0.27 C ATOM 2002 C LYS A 123 -13.128 6.578 -4.956 1.00 0.26 C ATOM 2003 O LYS A 123 -14.164 5.947 -4.884 1.00 0.28 O ATOM 2004 CB LYS A 123 -11.175 5.333 -5.897 1.00 0.27 C ATOM 2005 CG LYS A 123 -10.290 5.105 -7.141 1.00 0.93 C ATOM 2006 CD LYS A 123 -10.944 4.088 -8.097 1.00 1.10 C ATOM 2007 CE LYS A 123 -10.714 2.650 -7.606 1.00 1.43 C ATOM 2008 NZ LYS A 123 -11.000 1.700 -8.718 1.00 1.95 N ATOM 0 H LYS A 123 -10.535 7.737 -6.215 1.00 0.27 H new ATOM 0 HA LYS A 123 -12.819 6.153 -7.038 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -10.554 5.619 -5.048 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -11.678 4.405 -5.626 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -10.133 6.051 -7.660 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -9.309 4.744 -6.834 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -12.014 4.286 -8.169 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -10.530 4.206 -9.098 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -9.686 2.530 -7.265 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -11.360 2.436 -6.754 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -10.846 0.725 -8.390 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -11.988 1.810 -9.023 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -10.366 1.901 -9.518 1.00 1.95 H new ATOM 2022 N ILE A 124 -12.774 7.391 -3.982 1.00 0.27 N ATOM 2023 CA ILE A 124 -13.676 7.513 -2.798 1.00 0.29 C ATOM 2024 C ILE A 124 -14.857 8.405 -3.195 1.00 0.35 C ATOM 2025 O ILE A 124 -15.946 8.296 -2.672 1.00 0.43 O ATOM 2026 CB ILE A 124 -12.906 8.083 -1.593 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -11.977 6.999 -1.035 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -13.886 8.521 -0.500 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -11.073 7.586 0.056 1.00 0.30 C ATOM 0 H ILE A 124 -11.926 7.957 -3.958 1.00 0.27 H new ATOM 0 HA ILE A 124 -14.051 6.535 -2.496 1.00 0.29 H new ATOM 0 HB ILE A 124 -12.324 8.946 -1.915 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -12.567 6.179 -0.626 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -11.368 6.584 -1.838 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -13.330 8.922 0.347 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -14.551 9.289 -0.894 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -14.475 7.663 -0.174 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.418 6.806 0.444 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -10.470 8.390 -0.365 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -11.688 7.979 0.865 1.00 0.30 H new ATOM 2041 N GLN A 125 -14.648 9.284 -4.131 1.00 0.35 N ATOM 2042 CA GLN A 125 -15.770 10.159 -4.567 1.00 0.40 C ATOM 2043 C GLN A 125 -16.874 9.257 -5.138 1.00 0.43 C ATOM 2044 O GLN A 125 -18.049 9.532 -4.991 1.00 0.54 O ATOM 2045 CB GLN A 125 -15.290 11.162 -5.625 1.00 0.53 C ATOM 2046 CG GLN A 125 -14.625 12.366 -4.940 1.00 1.22 C ATOM 2047 CD GLN A 125 -15.699 13.313 -4.395 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -16.878 13.037 -4.498 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -15.338 14.427 -3.817 1.00 2.64 N ATOM 0 H GLN A 125 -13.760 9.435 -4.609 1.00 0.35 H new ATOM 0 HA GLN A 125 -16.152 10.733 -3.723 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -14.583 10.681 -6.301 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -16.132 11.496 -6.230 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -13.983 12.025 -4.128 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -13.988 12.894 -5.650 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -14.349 14.659 -3.730 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -16.045 15.065 -3.452 1.00 2.64 H new