USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 517 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 12 GLN : amide:sc= -0.448 K(o=-4.7,f=-5.5) USER MOD Set 1.2: A 52 ASN : amide:sc= -2.1 K(o=-4.7,f=-9.4!) USER MOD Set 1.3: A 55 CYS SG : rot -120:sc= -2.18! USER MOD Single : A 15 LYS NZ :NH3+ -168:sc= -0.023 (180deg=-0.206) USER MOD Single : A 21 TYR OH : rot 2:sc= -0.098 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -105:sc= -0.314 (180deg=-1.7!) USER MOD Single : A 28 THR OG1 : rot -83:sc= 1.12 USER MOD Single : A 33 GLN : amide:sc= -0.0115 K(o=-0.012,f=-0.9) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= -0.0461 (180deg=-0.525) USER MOD Single : A 40 ASN : amide:sc=-0.00248 K(o=-0.0025,f=-0.88) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 50 ASN : amide:sc= 0.536 K(o=0.54,f=-0.95) USER MOD Single : A 56 LYS NZ :NH3+ -172:sc= 1.09 (180deg=0.889) USER MOD Single : A 57 THR OG1 : rot 50:sc= 1.25 USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= -0.0665 (180deg=-0.453) USER MOD Single : A 71 MET CE :methyl 171:sc=-0.00706 (180deg=-0.208) USER MOD Single : A 72 MET CE :methyl -162:sc= -0.513 (180deg=-1.08) USER MOD Single : A 73 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 75 CYS SG : rot 180:sc= -2.32 USER MOD Single : A 76 GLN : amide:sc= -1.15 X(o=-1.2,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 129 N ASP A 9 27.855 2.598 -9.929 1.00 10.57 N ATOM 130 CA ASP A 9 26.421 2.803 -10.052 1.00 10.51 C ATOM 131 C ASP A 9 25.724 2.688 -8.702 1.00 9.48 C ATOM 132 O ASP A 9 24.651 3.253 -8.501 1.00 9.50 O ATOM 133 CB ASP A 9 25.832 1.779 -11.028 1.00 11.48 C ATOM 134 CG ASP A 9 24.327 1.884 -11.149 1.00 12.16 C ATOM 135 OD1 ASP A 9 23.616 1.019 -10.598 1.00 12.46 O ATOM 136 OD2 ASP A 9 23.843 2.831 -11.797 1.00 12.54 O ATOM 0 HA ASP A 9 26.256 3.811 -10.432 1.00 10.51 H new ATOM 0 HB2 ASP A 9 26.282 1.920 -12.011 1.00 11.48 H new ATOM 0 HB3 ASP A 9 26.096 0.775 -10.697 1.00 11.48 H new ATOM 141 N ILE A 10 26.350 1.979 -7.769 1.00 8.74 N ATOM 142 CA ILE A 10 25.728 1.686 -6.480 1.00 7.86 C ATOM 143 C ILE A 10 25.750 2.891 -5.534 1.00 7.43 C ATOM 144 O ILE A 10 26.246 2.824 -4.411 1.00 6.73 O ATOM 145 CB ILE A 10 26.377 0.454 -5.808 1.00 7.25 C ATOM 146 CG1 ILE A 10 27.872 0.692 -5.561 1.00 7.42 C ATOM 147 CG2 ILE A 10 26.178 -0.774 -6.680 1.00 7.55 C ATOM 148 CD1 ILE A 10 28.624 -0.531 -5.079 1.00 7.84 C ATOM 0 H ILE A 10 27.289 1.596 -7.880 1.00 8.74 H new ATOM 0 HA ILE A 10 24.683 1.455 -6.686 1.00 7.86 H new ATOM 0 HB ILE A 10 25.895 0.291 -4.844 1.00 7.25 H new ATOM 0 HG12 ILE A 10 28.330 1.045 -6.485 1.00 7.42 H new ATOM 0 HG13 ILE A 10 27.985 1.488 -4.825 1.00 7.42 H new ATOM 0 HG21 ILE A 10 26.638 -1.639 -6.201 1.00 7.55 H new ATOM 0 HG22 ILE A 10 25.112 -0.957 -6.813 1.00 7.55 H new ATOM 0 HG23 ILE A 10 26.642 -0.609 -7.652 1.00 7.55 H new ATOM 0 HD11 ILE A 10 29.673 -0.277 -4.929 1.00 7.84 H new ATOM 0 HD12 ILE A 10 28.195 -0.874 -4.137 1.00 7.84 H new ATOM 0 HD13 ILE A 10 28.545 -1.323 -5.823 1.00 7.84 H new ATOM 160 N ARG A 11 25.196 3.995 -6.002 1.00 8.07 N ATOM 161 CA ARG A 11 25.005 5.171 -5.178 1.00 7.96 C ATOM 162 C ARG A 11 23.554 5.612 -5.262 1.00 7.79 C ATOM 163 O ARG A 11 22.858 5.283 -6.220 1.00 8.29 O ATOM 164 CB ARG A 11 25.940 6.306 -5.590 1.00 9.08 C ATOM 165 CG ARG A 11 25.772 6.782 -7.019 1.00 9.98 C ATOM 166 CD ARG A 11 26.534 8.075 -7.232 1.00 10.66 C ATOM 167 NE ARG A 11 26.541 8.505 -8.624 1.00 11.50 N ATOM 168 CZ ARG A 11 26.850 9.740 -9.015 1.00 12.34 C ATOM 169 NH1 ARG A 11 27.145 10.673 -8.116 1.00 12.46 N ATOM 170 NH2 ARG A 11 26.857 10.042 -10.302 1.00 13.19 N ATOM 0 H ARG A 11 24.867 4.100 -6.962 1.00 8.07 H new ATOM 0 HA ARG A 11 25.249 4.915 -4.147 1.00 7.96 H new ATOM 0 HB2 ARG A 11 25.780 7.151 -4.920 1.00 9.08 H new ATOM 0 HB3 ARG A 11 26.970 5.978 -5.450 1.00 9.08 H new ATOM 0 HG2 ARG A 11 26.134 6.020 -7.709 1.00 9.98 H new ATOM 0 HG3 ARG A 11 24.715 6.934 -7.238 1.00 9.98 H new ATOM 0 HD2 ARG A 11 26.090 8.858 -6.617 1.00 10.66 H new ATOM 0 HD3 ARG A 11 27.561 7.946 -6.891 1.00 10.66 H new ATOM 0 HE ARG A 11 26.295 7.821 -9.340 1.00 11.50 H new ATOM 0 HH11 ARG A 11 27.135 10.445 -7.122 1.00 12.46 H new ATOM 0 HH12 ARG A 11 27.381 11.618 -8.420 1.00 12.46 H new ATOM 0 HH21 ARG A 11 26.626 9.329 -10.994 1.00 13.19 H new ATOM 0 HH22 ARG A 11 27.093 10.988 -10.603 1.00 13.19 H new ATOM 184 N GLN A 12 23.105 6.350 -4.264 1.00 7.29 N ATOM 185 CA GLN A 12 21.693 6.694 -4.150 1.00 7.16 C ATOM 186 C GLN A 12 21.464 8.163 -4.458 1.00 7.82 C ATOM 187 O GLN A 12 22.280 9.016 -4.106 1.00 8.10 O ATOM 188 CB GLN A 12 21.180 6.395 -2.741 1.00 6.33 C ATOM 189 CG GLN A 12 19.680 6.586 -2.582 1.00 6.44 C ATOM 190 CD GLN A 12 19.235 6.570 -1.133 1.00 6.33 C ATOM 191 OE1 GLN A 12 19.838 5.912 -0.287 1.00 6.37 O ATOM 192 NE2 GLN A 12 18.175 7.306 -0.840 1.00 6.60 N ATOM 0 H GLN A 12 23.694 6.724 -3.520 1.00 7.29 H new ATOM 0 HA GLN A 12 21.148 6.088 -4.874 1.00 7.16 H new ATOM 0 HB2 GLN A 12 21.436 5.368 -2.481 1.00 6.33 H new ATOM 0 HB3 GLN A 12 21.697 7.041 -2.031 1.00 6.33 H new ATOM 0 HG2 GLN A 12 19.389 7.533 -3.036 1.00 6.44 H new ATOM 0 HG3 GLN A 12 19.159 5.798 -3.126 1.00 6.44 H new ATOM 0 HE21 GLN A 12 17.704 7.837 -1.573 1.00 6.60 H new ATOM 0 HE22 GLN A 12 17.829 7.343 0.119 1.00 6.60 H new ATOM 201 N GLY A 13 20.353 8.445 -5.119 1.00 8.30 N ATOM 202 CA GLY A 13 19.953 9.813 -5.346 1.00 9.01 C ATOM 203 C GLY A 13 19.182 10.364 -4.161 1.00 8.63 C ATOM 204 O GLY A 13 18.654 9.590 -3.361 1.00 7.84 O ATOM 0 H GLY A 13 19.719 7.745 -5.504 1.00 8.30 H new ATOM 0 HA2 GLY A 13 20.835 10.427 -5.526 1.00 9.01 H new ATOM 0 HA3 GLY A 13 19.336 9.870 -6.243 1.00 9.01 H new ATOM 208 N PRO A 14 19.107 11.700 -4.029 1.00 9.33 N ATOM 209 CA PRO A 14 18.434 12.372 -2.907 1.00 9.17 C ATOM 210 C PRO A 14 17.092 11.748 -2.515 1.00 8.90 C ATOM 211 O PRO A 14 16.855 11.471 -1.338 1.00 8.50 O ATOM 212 CB PRO A 14 18.226 13.787 -3.441 1.00 10.25 C ATOM 213 CG PRO A 14 19.382 14.013 -4.350 1.00 10.91 C ATOM 214 CD PRO A 14 19.699 12.675 -4.970 1.00 10.46 C ATOM 0 HA PRO A 14 19.026 12.305 -1.994 1.00 9.17 H new ATOM 0 HB2 PRO A 14 17.279 13.876 -3.973 1.00 10.25 H new ATOM 0 HB3 PRO A 14 18.207 14.518 -2.633 1.00 10.25 H new ATOM 0 HG2 PRO A 14 19.137 14.748 -5.116 1.00 10.91 H new ATOM 0 HG3 PRO A 14 20.240 14.400 -3.800 1.00 10.91 H new ATOM 0 HD2 PRO A 14 19.266 12.583 -5.966 1.00 10.46 H new ATOM 0 HD3 PRO A 14 20.774 12.528 -5.075 1.00 10.46 H new ATOM 222 N LYS A 15 16.225 11.518 -3.494 1.00 9.36 N ATOM 223 CA LYS A 15 14.877 11.031 -3.214 1.00 9.53 C ATOM 224 C LYS A 15 14.664 9.618 -3.751 1.00 9.20 C ATOM 225 O LYS A 15 13.530 9.136 -3.833 1.00 9.66 O ATOM 226 CB LYS A 15 13.827 12.005 -3.783 1.00 10.67 C ATOM 227 CG LYS A 15 14.038 12.400 -5.244 1.00 11.41 C ATOM 228 CD LYS A 15 13.592 11.311 -6.210 1.00 12.05 C ATOM 229 CE LYS A 15 13.798 11.722 -7.661 1.00 12.96 C ATOM 230 NZ LYS A 15 13.030 12.947 -8.013 1.00 13.55 N ATOM 0 H LYS A 15 16.428 11.659 -4.484 1.00 9.36 H new ATOM 0 HA LYS A 15 14.756 10.984 -2.132 1.00 9.53 H new ATOM 0 HB2 LYS A 15 12.841 11.551 -3.684 1.00 10.67 H new ATOM 0 HB3 LYS A 15 13.825 12.909 -3.174 1.00 10.67 H new ATOM 0 HG2 LYS A 15 13.486 13.316 -5.453 1.00 11.41 H new ATOM 0 HG3 LYS A 15 15.093 12.619 -5.410 1.00 11.41 H new ATOM 0 HD2 LYS A 15 14.150 10.396 -6.009 1.00 12.05 H new ATOM 0 HD3 LYS A 15 12.539 11.086 -6.042 1.00 12.05 H new ATOM 0 HE2 LYS A 15 14.859 11.896 -7.840 1.00 12.96 H new ATOM 0 HE3 LYS A 15 13.494 10.905 -8.315 1.00 12.96 H new ATOM 0 HZ1 LYS A 15 13.034 13.075 -9.045 1.00 13.55 H new ATOM 0 HZ2 LYS A 15 12.050 12.850 -7.680 1.00 13.55 H new ATOM 0 HZ3 LYS A 15 13.469 13.774 -7.560 1.00 13.55 H new ATOM 244 N GLU A 16 15.757 8.953 -4.100 1.00 8.57 N ATOM 245 CA GLU A 16 15.690 7.604 -4.646 1.00 8.39 C ATOM 246 C GLU A 16 15.216 6.615 -3.595 1.00 7.72 C ATOM 247 O GLU A 16 15.693 6.628 -2.459 1.00 6.94 O ATOM 248 CB GLU A 16 17.061 7.180 -5.184 1.00 8.10 C ATOM 249 CG GLU A 16 17.092 5.765 -5.738 1.00 8.26 C ATOM 250 CD GLU A 16 18.199 5.579 -6.745 1.00 9.36 C ATOM 251 OE1 GLU A 16 19.359 5.406 -6.334 1.00 9.85 O ATOM 252 OE2 GLU A 16 17.910 5.615 -7.962 1.00 9.91 O ATOM 0 H GLU A 16 16.702 9.326 -4.015 1.00 8.57 H new ATOM 0 HA GLU A 16 14.971 7.606 -5.465 1.00 8.39 H new ATOM 0 HB2 GLU A 16 17.364 7.874 -5.968 1.00 8.10 H new ATOM 0 HB3 GLU A 16 17.796 7.263 -4.384 1.00 8.10 H new ATOM 0 HG2 GLU A 16 17.223 5.058 -4.919 1.00 8.26 H new ATOM 0 HG3 GLU A 16 16.134 5.537 -6.205 1.00 8.26 H new ATOM 259 N PRO A 17 14.233 5.770 -3.945 1.00 8.28 N ATOM 260 CA PRO A 17 13.787 4.685 -3.078 1.00 8.07 C ATOM 261 C PRO A 17 14.939 3.745 -2.751 1.00 7.31 C ATOM 262 O PRO A 17 15.538 3.142 -3.644 1.00 7.39 O ATOM 263 CB PRO A 17 12.722 3.963 -3.909 1.00 9.21 C ATOM 264 CG PRO A 17 12.271 4.965 -4.912 1.00 9.95 C ATOM 265 CD PRO A 17 13.472 5.816 -5.206 1.00 9.45 C ATOM 0 HA PRO A 17 13.406 5.043 -2.121 1.00 8.07 H new ATOM 0 HB2 PRO A 17 13.133 3.077 -4.393 1.00 9.21 H new ATOM 0 HB3 PRO A 17 11.893 3.629 -3.284 1.00 9.21 H new ATOM 0 HG2 PRO A 17 11.906 4.477 -5.816 1.00 9.95 H new ATOM 0 HG3 PRO A 17 11.451 5.567 -4.522 1.00 9.95 H new ATOM 0 HD2 PRO A 17 14.051 5.421 -6.041 1.00 9.45 H new ATOM 0 HD3 PRO A 17 13.189 6.835 -5.469 1.00 9.45 H new ATOM 273 N PHE A 18 15.245 3.642 -1.464 1.00 6.75 N ATOM 274 CA PHE A 18 16.360 2.833 -0.980 1.00 6.11 C ATOM 275 C PHE A 18 16.273 1.398 -1.495 1.00 6.56 C ATOM 276 O PHE A 18 17.289 0.745 -1.702 1.00 6.14 O ATOM 277 CB PHE A 18 16.364 2.847 0.545 1.00 6.14 C ATOM 278 CG PHE A 18 17.614 2.295 1.171 1.00 5.98 C ATOM 279 CD1 PHE A 18 17.685 0.967 1.552 1.00 6.36 C ATOM 280 CD2 PHE A 18 18.708 3.111 1.398 1.00 5.83 C ATOM 281 CE1 PHE A 18 18.824 0.463 2.146 1.00 6.55 C ATOM 282 CE2 PHE A 18 19.852 2.609 1.988 1.00 6.04 C ATOM 283 CZ PHE A 18 19.908 1.284 2.364 1.00 6.38 C ATOM 0 H PHE A 18 14.728 4.117 -0.724 1.00 6.75 H new ATOM 0 HA PHE A 18 17.289 3.261 -1.356 1.00 6.11 H new ATOM 0 HB2 PHE A 18 16.224 3.873 0.887 1.00 6.14 H new ATOM 0 HB3 PHE A 18 15.510 2.273 0.903 1.00 6.14 H new ATOM 0 HD1 PHE A 18 16.839 0.317 1.383 1.00 6.36 H new ATOM 0 HD2 PHE A 18 18.667 4.151 1.111 1.00 5.83 H new ATOM 0 HE1 PHE A 18 18.865 -0.575 2.440 1.00 6.55 H new ATOM 0 HE2 PHE A 18 20.702 3.254 2.155 1.00 6.04 H new ATOM 0 HZ PHE A 18 20.800 0.891 2.829 1.00 6.38 H new ATOM 293 N ARG A 19 15.051 0.923 -1.710 1.00 7.57 N ATOM 294 CA ARG A 19 14.817 -0.417 -2.221 1.00 8.30 C ATOM 295 C ARG A 19 15.493 -0.614 -3.581 1.00 8.53 C ATOM 296 O ARG A 19 15.985 -1.702 -3.889 1.00 8.98 O ATOM 297 CB ARG A 19 13.311 -0.655 -2.333 1.00 9.53 C ATOM 298 CG ARG A 19 12.934 -2.059 -2.762 1.00 10.28 C ATOM 299 CD ARG A 19 13.343 -3.090 -1.722 1.00 11.35 C ATOM 300 NE ARG A 19 13.020 -4.451 -2.143 1.00 12.03 N ATOM 301 CZ ARG A 19 12.833 -5.467 -1.303 1.00 13.02 C ATOM 302 NH1 ARG A 19 12.891 -5.272 0.009 1.00 13.43 N ATOM 303 NH2 ARG A 19 12.577 -6.677 -1.779 1.00 13.72 N ATOM 0 H ARG A 19 14.199 1.456 -1.535 1.00 7.57 H new ATOM 0 HA ARG A 19 15.251 -1.140 -1.530 1.00 8.30 H new ATOM 0 HB2 ARG A 19 12.849 -0.445 -1.368 1.00 9.53 H new ATOM 0 HB3 ARG A 19 12.894 0.055 -3.047 1.00 9.53 H new ATOM 0 HG2 ARG A 19 11.858 -2.114 -2.926 1.00 10.28 H new ATOM 0 HG3 ARG A 19 13.413 -2.291 -3.713 1.00 10.28 H new ATOM 0 HD2 ARG A 19 14.414 -3.013 -1.537 1.00 11.35 H new ATOM 0 HD3 ARG A 19 12.840 -2.873 -0.780 1.00 11.35 H new ATOM 0 HE ARG A 19 12.932 -4.634 -3.143 1.00 12.03 H new ATOM 0 HH11 ARG A 19 13.080 -4.340 0.378 1.00 13.43 H new ATOM 0 HH12 ARG A 19 12.747 -6.054 0.648 1.00 13.43 H new ATOM 0 HH21 ARG A 19 12.524 -6.828 -2.786 1.00 13.72 H new ATOM 0 HH22 ARG A 19 12.433 -7.457 -1.138 1.00 13.72 H new ATOM 317 N ASP A 20 15.532 0.443 -4.384 1.00 8.44 N ATOM 318 CA ASP A 20 16.142 0.370 -5.705 1.00 9.01 C ATOM 319 C ASP A 20 17.644 0.619 -5.614 1.00 8.27 C ATOM 320 O ASP A 20 18.430 0.039 -6.362 1.00 8.68 O ATOM 321 CB ASP A 20 15.503 1.381 -6.649 1.00 9.59 C ATOM 322 CG ASP A 20 15.900 1.147 -8.090 1.00 10.55 C ATOM 323 OD1 ASP A 20 15.545 0.086 -8.643 1.00 11.24 O ATOM 324 OD2 ASP A 20 16.546 2.030 -8.687 1.00 10.78 O ATOM 0 H ASP A 20 15.150 1.358 -4.144 1.00 8.44 H new ATOM 0 HA ASP A 20 15.974 -0.632 -6.101 1.00 9.01 H new ATOM 0 HB2 ASP A 20 14.418 1.325 -6.559 1.00 9.59 H new ATOM 0 HB3 ASP A 20 15.796 2.388 -6.352 1.00 9.59 H new ATOM 329 N TYR A 21 18.037 1.488 -4.687 1.00 7.30 N ATOM 330 CA TYR A 21 19.447 1.686 -4.366 1.00 6.73 C ATOM 331 C TYR A 21 20.075 0.358 -3.939 1.00 6.19 C ATOM 332 O TYR A 21 21.228 0.061 -4.245 1.00 6.24 O ATOM 333 CB TYR A 21 19.579 2.731 -3.253 1.00 6.06 C ATOM 334 CG TYR A 21 20.980 2.893 -2.701 1.00 5.92 C ATOM 335 CD1 TYR A 21 21.195 3.007 -1.334 1.00 6.01 C ATOM 336 CD2 TYR A 21 22.082 2.933 -3.544 1.00 6.13 C ATOM 337 CE1 TYR A 21 22.471 3.159 -0.824 1.00 6.36 C ATOM 338 CE2 TYR A 21 23.357 3.081 -3.039 1.00 6.47 C ATOM 339 CZ TYR A 21 23.547 3.195 -1.682 1.00 6.60 C ATOM 340 OH TYR A 21 24.819 3.345 -1.183 1.00 7.29 O ATOM 0 H TYR A 21 17.397 2.068 -4.144 1.00 7.30 H new ATOM 0 HA TYR A 21 19.974 2.048 -5.249 1.00 6.73 H new ATOM 0 HB2 TYR A 21 19.240 3.694 -3.635 1.00 6.06 H new ATOM 0 HB3 TYR A 21 18.910 2.459 -2.436 1.00 6.06 H new ATOM 0 HD1 TYR A 21 20.353 2.976 -0.659 1.00 6.01 H new ATOM 0 HD2 TYR A 21 21.939 2.847 -4.611 1.00 6.13 H new ATOM 0 HE1 TYR A 21 22.623 3.249 0.241 1.00 6.36 H new ATOM 0 HE2 TYR A 21 24.204 3.107 -3.708 1.00 6.47 H new ATOM 0 HH TYR A 21 24.784 3.382 -0.204 1.00 7.29 H new ATOM 350 N VAL A 22 19.278 -0.444 -3.260 1.00 5.96 N ATOM 351 CA VAL A 22 19.705 -1.770 -2.816 1.00 5.81 C ATOM 352 C VAL A 22 19.794 -2.721 -3.998 1.00 6.77 C ATOM 353 O VAL A 22 20.714 -3.527 -4.090 1.00 6.77 O ATOM 354 CB VAL A 22 18.743 -2.358 -1.756 1.00 5.93 C ATOM 355 CG1 VAL A 22 19.020 -3.834 -1.510 1.00 6.61 C ATOM 356 CG2 VAL A 22 18.860 -1.589 -0.455 1.00 5.41 C ATOM 0 H VAL A 22 18.322 -0.204 -2.999 1.00 5.96 H new ATOM 0 HA VAL A 22 20.688 -1.656 -2.360 1.00 5.81 H new ATOM 0 HB VAL A 22 17.728 -2.263 -2.142 1.00 5.93 H new ATOM 0 HG11 VAL A 22 18.326 -4.214 -0.760 1.00 6.61 H new ATOM 0 HG12 VAL A 22 18.890 -4.388 -2.439 1.00 6.61 H new ATOM 0 HG13 VAL A 22 20.043 -3.958 -1.154 1.00 6.61 H new ATOM 0 HG21 VAL A 22 18.178 -2.014 0.281 1.00 5.41 H new ATOM 0 HG22 VAL A 22 19.882 -1.656 -0.083 1.00 5.41 H new ATOM 0 HG23 VAL A 22 18.604 -0.543 -0.626 1.00 5.41 H new ATOM 366 N ASP A 23 18.844 -2.589 -4.909 1.00 7.71 N ATOM 367 CA ASP A 23 18.758 -3.441 -6.092 1.00 8.82 C ATOM 368 C ASP A 23 20.076 -3.482 -6.858 1.00 8.87 C ATOM 369 O ASP A 23 20.570 -4.555 -7.214 1.00 9.30 O ATOM 370 CB ASP A 23 17.648 -2.932 -7.010 1.00 9.88 C ATOM 371 CG ASP A 23 17.678 -3.580 -8.377 1.00 11.09 C ATOM 372 OD1 ASP A 23 18.180 -2.945 -9.326 1.00 11.57 O ATOM 373 OD2 ASP A 23 17.201 -4.726 -8.505 1.00 11.68 O ATOM 0 H ASP A 23 18.106 -1.887 -4.852 1.00 7.71 H new ATOM 0 HA ASP A 23 18.534 -4.454 -5.758 1.00 8.82 H new ATOM 0 HB2 ASP A 23 16.681 -3.121 -6.544 1.00 9.88 H new ATOM 0 HB3 ASP A 23 17.742 -1.852 -7.122 1.00 9.88 H new ATOM 378 N ARG A 24 20.653 -2.314 -7.081 1.00 8.57 N ATOM 379 CA ARG A 24 21.869 -2.201 -7.869 1.00 8.91 C ATOM 380 C ARG A 24 23.057 -2.731 -7.074 1.00 8.10 C ATOM 381 O ARG A 24 23.921 -3.426 -7.612 1.00 8.53 O ATOM 382 CB ARG A 24 22.078 -0.744 -8.279 1.00 9.20 C ATOM 383 CG ARG A 24 22.260 0.198 -7.107 1.00 9.35 C ATOM 384 CD ARG A 24 21.575 1.530 -7.339 1.00 9.42 C ATOM 385 NE ARG A 24 21.904 2.101 -8.644 1.00 10.13 N ATOM 386 CZ ARG A 24 21.362 3.218 -9.119 1.00 10.62 C ATOM 387 NH1 ARG A 24 20.462 3.877 -8.402 1.00 10.53 N ATOM 388 NH2 ARG A 24 21.726 3.685 -10.306 1.00 11.36 N ATOM 0 H ARG A 24 20.297 -1.426 -6.726 1.00 8.57 H new ATOM 0 HA ARG A 24 21.779 -2.802 -8.774 1.00 8.91 H new ATOM 0 HB2 ARG A 24 22.954 -0.680 -8.925 1.00 9.20 H new ATOM 0 HB3 ARG A 24 21.222 -0.415 -8.869 1.00 9.20 H new ATOM 0 HG2 ARG A 24 21.859 -0.264 -6.205 1.00 9.35 H new ATOM 0 HG3 ARG A 24 23.324 0.362 -6.935 1.00 9.35 H new ATOM 0 HD2 ARG A 24 20.496 1.399 -7.263 1.00 9.42 H new ATOM 0 HD3 ARG A 24 21.867 2.228 -6.555 1.00 9.42 H new ATOM 0 HE ARG A 24 22.588 1.615 -9.223 1.00 10.13 H new ATOM 0 HH11 ARG A 24 20.185 3.527 -7.485 1.00 10.53 H new ATOM 0 HH12 ARG A 24 20.047 4.734 -8.768 1.00 10.53 H new ATOM 0 HH21 ARG A 24 22.424 3.187 -10.858 1.00 11.36 H new ATOM 0 HH22 ARG A 24 21.308 4.542 -10.667 1.00 11.36 H new ATOM 402 N PHE A 25 23.063 -2.422 -5.784 1.00 7.02 N ATOM 403 CA PHE A 25 24.082 -2.901 -4.869 1.00 6.32 C ATOM 404 C PHE A 25 24.029 -4.419 -4.739 1.00 6.59 C ATOM 405 O PHE A 25 25.035 -5.069 -4.483 1.00 6.62 O ATOM 406 CB PHE A 25 23.871 -2.250 -3.503 1.00 5.33 C ATOM 407 CG PHE A 25 24.943 -2.585 -2.503 1.00 4.98 C ATOM 408 CD1 PHE A 25 26.255 -2.204 -2.726 1.00 4.85 C ATOM 409 CD2 PHE A 25 24.638 -3.284 -1.345 1.00 5.26 C ATOM 410 CE1 PHE A 25 27.246 -2.514 -1.813 1.00 4.99 C ATOM 411 CE2 PHE A 25 25.624 -3.595 -0.428 1.00 5.43 C ATOM 412 CZ PHE A 25 26.929 -3.209 -0.662 1.00 5.29 C ATOM 0 H PHE A 25 22.358 -1.830 -5.345 1.00 7.02 H new ATOM 0 HA PHE A 25 25.063 -2.632 -5.260 1.00 6.32 H new ATOM 0 HB2 PHE A 25 23.828 -1.168 -3.628 1.00 5.33 H new ATOM 0 HB3 PHE A 25 22.905 -2.563 -3.106 1.00 5.33 H new ATOM 0 HD1 PHE A 25 26.507 -1.658 -3.623 1.00 4.85 H new ATOM 0 HD2 PHE A 25 23.619 -3.589 -1.158 1.00 5.26 H new ATOM 0 HE1 PHE A 25 28.266 -2.213 -1.999 1.00 4.99 H new ATOM 0 HE2 PHE A 25 25.374 -4.139 0.471 1.00 5.43 H new ATOM 0 HZ PHE A 25 27.701 -3.450 0.054 1.00 5.29 H new ATOM 422 N TYR A 26 22.852 -4.978 -4.942 1.00 7.06 N ATOM 423 CA TYR A 26 22.649 -6.401 -4.767 1.00 7.60 C ATOM 424 C TYR A 26 23.162 -7.148 -5.987 1.00 8.54 C ATOM 425 O TYR A 26 23.791 -8.201 -5.877 1.00 8.87 O ATOM 426 CB TYR A 26 21.161 -6.681 -4.545 1.00 8.10 C ATOM 427 CG TYR A 26 20.855 -8.104 -4.151 1.00 8.84 C ATOM 428 CD1 TYR A 26 20.349 -9.004 -5.079 1.00 9.57 C ATOM 429 CD2 TYR A 26 21.078 -8.549 -2.857 1.00 9.04 C ATOM 430 CE1 TYR A 26 20.071 -10.308 -4.724 1.00 10.37 C ATOM 431 CE2 TYR A 26 20.803 -9.849 -2.496 1.00 9.88 C ATOM 432 CZ TYR A 26 20.286 -10.719 -3.423 1.00 10.50 C ATOM 433 OH TYR A 26 20.020 -12.020 -3.071 1.00 11.44 O ATOM 0 H TYR A 26 22.019 -4.465 -5.230 1.00 7.06 H new ATOM 0 HA TYR A 26 23.203 -6.746 -3.894 1.00 7.60 H new ATOM 0 HB2 TYR A 26 20.788 -6.012 -3.769 1.00 8.10 H new ATOM 0 HB3 TYR A 26 20.617 -6.443 -5.459 1.00 8.10 H new ATOM 0 HD1 TYR A 26 20.170 -8.679 -6.093 1.00 9.57 H new ATOM 0 HD2 TYR A 26 21.474 -7.865 -2.121 1.00 9.04 H new ATOM 0 HE1 TYR A 26 19.688 -11.002 -5.458 1.00 10.37 H new ATOM 0 HE2 TYR A 26 20.994 -10.183 -1.487 1.00 9.88 H new ATOM 0 HH TYR A 26 20.224 -12.150 -2.121 1.00 11.44 H new ATOM 443 N LYS A 27 22.913 -6.572 -7.154 1.00 9.08 N ATOM 444 CA LYS A 27 23.325 -7.164 -8.410 1.00 10.12 C ATOM 445 C LYS A 27 24.846 -7.250 -8.541 1.00 10.01 C ATOM 446 O LYS A 27 25.360 -8.148 -9.207 1.00 10.69 O ATOM 447 CB LYS A 27 22.728 -6.366 -9.564 1.00 10.87 C ATOM 448 CG LYS A 27 21.218 -6.506 -9.656 1.00 11.19 C ATOM 449 CD LYS A 27 20.640 -5.841 -10.896 1.00 12.15 C ATOM 450 CE LYS A 27 20.756 -4.321 -10.858 1.00 12.87 C ATOM 451 NZ LYS A 27 22.076 -3.830 -11.343 1.00 13.47 N ATOM 0 H LYS A 27 22.421 -5.684 -7.253 1.00 9.08 H new ATOM 0 HA LYS A 27 22.952 -8.188 -8.439 1.00 10.12 H new ATOM 0 HB2 LYS A 27 22.984 -5.313 -9.443 1.00 10.87 H new ATOM 0 HB3 LYS A 27 23.177 -6.698 -10.500 1.00 10.87 H new ATOM 0 HG2 LYS A 27 20.955 -7.564 -9.660 1.00 11.19 H new ATOM 0 HG3 LYS A 27 20.762 -6.068 -8.768 1.00 11.19 H new ATOM 0 HD2 LYS A 27 21.155 -6.218 -11.779 1.00 12.15 H new ATOM 0 HD3 LYS A 27 19.591 -6.119 -10.996 1.00 12.15 H new ATOM 0 HE2 LYS A 27 19.965 -3.886 -11.469 1.00 12.87 H new ATOM 0 HE3 LYS A 27 20.598 -3.975 -9.837 1.00 12.87 H new ATOM 0 HZ1 LYS A 27 22.652 -3.525 -10.533 1.00 13.47 H new ATOM 0 HZ2 LYS A 27 22.567 -4.595 -11.848 1.00 13.47 H new ATOM 0 HZ3 LYS A 27 21.932 -3.027 -11.988 1.00 13.47 H new ATOM 465 N THR A 28 25.572 -6.338 -7.910 1.00 9.28 N ATOM 466 CA THR A 28 27.024 -6.412 -7.934 1.00 9.35 C ATOM 467 C THR A 28 27.516 -7.477 -6.953 1.00 8.90 C ATOM 468 O THR A 28 28.517 -8.148 -7.200 1.00 9.29 O ATOM 469 CB THR A 28 27.691 -5.043 -7.637 1.00 9.07 C ATOM 470 OG1 THR A 28 29.103 -5.119 -7.871 1.00 9.27 O ATOM 471 CG2 THR A 28 27.449 -4.591 -6.206 1.00 8.30 C ATOM 0 H THR A 28 25.188 -5.553 -7.385 1.00 9.28 H new ATOM 0 HA THR A 28 27.318 -6.694 -8.945 1.00 9.35 H new ATOM 0 HB THR A 28 27.238 -4.313 -8.308 1.00 9.07 H new ATOM 0 HG1 THR A 28 29.545 -5.502 -7.084 1.00 9.27 H new ATOM 0 HG21 THR A 28 27.933 -3.628 -6.042 1.00 8.30 H new ATOM 0 HG22 THR A 28 26.378 -4.492 -6.032 1.00 8.30 H new ATOM 0 HG23 THR A 28 27.862 -5.328 -5.517 1.00 8.30 H new ATOM 479 N LEU A 29 26.766 -7.678 -5.869 1.00 8.24 N ATOM 480 CA LEU A 29 27.160 -8.625 -4.830 1.00 8.03 C ATOM 481 C LEU A 29 27.041 -10.061 -5.323 1.00 8.87 C ATOM 482 O LEU A 29 27.817 -10.930 -4.913 1.00 9.09 O ATOM 483 CB LEU A 29 26.310 -8.447 -3.571 1.00 7.48 C ATOM 484 CG LEU A 29 26.420 -7.086 -2.880 1.00 7.10 C ATOM 485 CD1 LEU A 29 25.577 -7.067 -1.615 1.00 6.93 C ATOM 486 CD2 LEU A 29 27.870 -6.755 -2.563 1.00 6.99 C ATOM 0 H LEU A 29 25.884 -7.198 -5.689 1.00 8.24 H new ATOM 0 HA LEU A 29 28.202 -8.420 -4.585 1.00 8.03 H new ATOM 0 HB2 LEU A 29 25.266 -8.617 -3.833 1.00 7.48 H new ATOM 0 HB3 LEU A 29 26.588 -9.220 -2.855 1.00 7.48 H new ATOM 0 HG LEU A 29 26.042 -6.324 -3.561 1.00 7.10 H new ATOM 0 HD11 LEU A 29 25.665 -6.093 -1.134 1.00 6.93 H new ATOM 0 HD12 LEU A 29 24.534 -7.253 -1.870 1.00 6.93 H new ATOM 0 HD13 LEU A 29 25.927 -7.842 -0.933 1.00 6.93 H new ATOM 0 HD21 LEU A 29 27.922 -5.783 -2.072 1.00 6.99 H new ATOM 0 HD22 LEU A 29 28.281 -7.518 -1.902 1.00 6.99 H new ATOM 0 HD23 LEU A 29 28.447 -6.726 -3.487 1.00 6.99 H new ATOM 498 N ARG A 30 26.074 -10.307 -6.202 1.00 9.50 N ATOM 499 CA ARG A 30 25.854 -11.646 -6.744 1.00 10.45 C ATOM 500 C ARG A 30 26.987 -12.026 -7.688 1.00 10.98 C ATOM 501 O ARG A 30 27.232 -13.202 -7.955 1.00 11.61 O ATOM 502 CB ARG A 30 24.514 -11.721 -7.478 1.00 11.14 C ATOM 503 CG ARG A 30 24.534 -11.163 -8.892 1.00 11.16 C ATOM 504 CD ARG A 30 23.166 -11.253 -9.548 1.00 11.94 C ATOM 505 NE ARG A 30 23.219 -10.941 -10.976 1.00 12.66 N ATOM 506 CZ ARG A 30 22.176 -10.512 -11.690 1.00 13.44 C ATOM 507 NH1 ARG A 30 21.002 -10.292 -11.109 1.00 13.60 N ATOM 508 NH2 ARG A 30 22.310 -10.298 -12.990 1.00 14.19 N ATOM 0 H ARG A 30 25.430 -9.598 -6.554 1.00 9.50 H new ATOM 0 HA ARG A 30 25.833 -12.351 -5.913 1.00 10.45 H new ATOM 0 HB2 ARG A 30 24.194 -12.762 -7.517 1.00 11.14 H new ATOM 0 HB3 ARG A 30 23.767 -11.179 -6.898 1.00 11.14 H new ATOM 0 HG2 ARG A 30 24.859 -10.123 -8.869 1.00 11.16 H new ATOM 0 HG3 ARG A 30 25.262 -11.711 -9.490 1.00 11.16 H new ATOM 0 HD2 ARG A 30 22.764 -12.257 -9.411 1.00 11.94 H new ATOM 0 HD3 ARG A 30 22.481 -10.565 -9.052 1.00 11.94 H new ATOM 0 HE ARG A 30 24.111 -11.059 -11.457 1.00 12.66 H new ATOM 0 HH11 ARG A 30 20.891 -10.451 -10.108 1.00 13.60 H new ATOM 0 HH12 ARG A 30 20.212 -9.964 -11.664 1.00 13.60 H new ATOM 0 HH21 ARG A 30 23.209 -10.461 -13.444 1.00 14.19 H new ATOM 0 HH22 ARG A 30 21.514 -9.970 -13.538 1.00 14.19 H new ATOM 522 N ALA A 31 27.656 -11.013 -8.204 1.00 10.87 N ATOM 523 CA ALA A 31 28.817 -11.215 -9.052 1.00 11.56 C ATOM 524 C ALA A 31 30.060 -11.468 -8.206 1.00 11.34 C ATOM 525 O ALA A 31 30.715 -12.499 -8.340 1.00 11.93 O ATOM 526 CB ALA A 31 29.025 -10.014 -9.961 1.00 11.84 C ATOM 0 H ALA A 31 27.414 -10.034 -8.050 1.00 10.87 H new ATOM 0 HA ALA A 31 28.642 -12.093 -9.674 1.00 11.56 H new ATOM 0 HB1 ALA A 31 29.899 -10.181 -10.590 1.00 11.84 H new ATOM 0 HB2 ALA A 31 28.146 -9.877 -10.590 1.00 11.84 H new ATOM 0 HB3 ALA A 31 29.180 -9.121 -9.355 1.00 11.84 H new ATOM 532 N GLU A 32 30.355 -10.532 -7.310 1.00 10.61 N ATOM 533 CA GLU A 32 31.547 -10.604 -6.465 1.00 10.60 C ATOM 534 C GLU A 32 31.275 -11.416 -5.192 1.00 10.54 C ATOM 535 O GLU A 32 31.539 -10.972 -4.072 1.00 10.89 O ATOM 536 CB GLU A 32 32.003 -9.191 -6.109 1.00 10.22 C ATOM 537 CG GLU A 32 30.948 -8.409 -5.355 1.00 9.56 C ATOM 538 CD GLU A 32 31.305 -6.947 -5.183 1.00 9.48 C ATOM 539 OE1 GLU A 32 30.858 -6.119 -6.000 1.00 9.47 O ATOM 540 OE2 GLU A 32 32.034 -6.620 -4.221 1.00 9.62 O ATOM 0 H GLU A 32 29.780 -9.706 -7.148 1.00 10.61 H new ATOM 0 HA GLU A 32 32.337 -11.112 -7.018 1.00 10.60 H new ATOM 0 HB2 GLU A 32 32.909 -9.247 -5.505 1.00 10.22 H new ATOM 0 HB3 GLU A 32 32.262 -8.656 -7.023 1.00 10.22 H new ATOM 0 HG2 GLU A 32 29.999 -8.486 -5.885 1.00 9.56 H new ATOM 0 HG3 GLU A 32 30.802 -8.860 -4.373 1.00 9.56 H new ATOM 547 N GLN A 33 30.750 -12.612 -5.381 1.00 10.31 N ATOM 548 CA GLN A 33 30.433 -13.518 -4.276 1.00 10.45 C ATOM 549 C GLN A 33 31.687 -13.952 -3.519 1.00 10.39 C ATOM 550 O GLN A 33 31.599 -14.444 -2.395 1.00 10.09 O ATOM 551 CB GLN A 33 29.711 -14.759 -4.798 1.00 10.44 C ATOM 552 CG GLN A 33 28.321 -14.482 -5.336 1.00 10.76 C ATOM 553 CD GLN A 33 27.707 -15.695 -5.999 1.00 11.12 C ATOM 554 OE1 GLN A 33 28.410 -16.531 -6.569 1.00 11.23 O ATOM 555 NE2 GLN A 33 26.394 -15.812 -5.921 1.00 11.52 N ATOM 0 H GLN A 33 30.529 -12.989 -6.302 1.00 10.31 H new ATOM 0 HA GLN A 33 29.787 -12.972 -3.588 1.00 10.45 H new ATOM 0 HB2 GLN A 33 30.312 -15.211 -5.587 1.00 10.44 H new ATOM 0 HB3 GLN A 33 29.639 -15.491 -3.993 1.00 10.44 H new ATOM 0 HG2 GLN A 33 27.678 -14.153 -4.520 1.00 10.76 H new ATOM 0 HG3 GLN A 33 28.369 -13.664 -6.055 1.00 10.76 H new ATOM 0 HE21 GLN A 33 25.846 -15.098 -5.440 1.00 11.52 H new ATOM 0 HE22 GLN A 33 25.928 -16.616 -6.341 1.00 11.52 H new ATOM 564 N ALA A 34 32.841 -13.776 -4.138 1.00 10.90 N ATOM 565 CA ALA A 34 34.101 -14.203 -3.541 1.00 11.19 C ATOM 566 C ALA A 34 34.593 -13.190 -2.517 1.00 11.09 C ATOM 567 O ALA A 34 35.108 -13.559 -1.461 1.00 11.27 O ATOM 568 CB ALA A 34 35.152 -14.423 -4.618 1.00 11.97 C ATOM 0 H ALA A 34 32.935 -13.340 -5.055 1.00 10.90 H new ATOM 0 HA ALA A 34 33.927 -15.147 -3.025 1.00 11.19 H new ATOM 0 HB1 ALA A 34 36.086 -14.741 -4.155 1.00 11.97 H new ATOM 0 HB2 ALA A 34 34.809 -15.193 -5.309 1.00 11.97 H new ATOM 0 HB3 ALA A 34 35.315 -13.493 -5.162 1.00 11.97 H new ATOM 574 N SER A 35 34.413 -11.915 -2.829 1.00 11.05 N ATOM 575 CA SER A 35 34.886 -10.839 -1.974 1.00 11.21 C ATOM 576 C SER A 35 33.905 -10.572 -0.831 1.00 10.64 C ATOM 577 O SER A 35 33.250 -9.528 -0.783 1.00 10.19 O ATOM 578 CB SER A 35 35.087 -9.575 -2.812 1.00 11.48 C ATOM 579 OG SER A 35 35.898 -9.846 -3.944 1.00 12.02 O ATOM 0 H SER A 35 33.939 -11.600 -3.675 1.00 11.05 H new ATOM 0 HA SER A 35 35.837 -11.136 -1.531 1.00 11.21 H new ATOM 0 HB2 SER A 35 34.120 -9.190 -3.135 1.00 11.48 H new ATOM 0 HB3 SER A 35 35.552 -8.799 -2.203 1.00 11.48 H new ATOM 0 HG SER A 35 36.013 -9.026 -4.468 1.00 12.02 H new ATOM 585 N GLN A 36 33.819 -11.520 0.094 1.00 10.85 N ATOM 586 CA GLN A 36 32.891 -11.421 1.210 1.00 10.51 C ATOM 587 C GLN A 36 33.340 -10.356 2.204 1.00 10.66 C ATOM 588 O GLN A 36 32.535 -9.551 2.666 1.00 10.26 O ATOM 589 CB GLN A 36 32.747 -12.771 1.916 1.00 11.11 C ATOM 590 CG GLN A 36 32.191 -13.866 1.021 1.00 11.25 C ATOM 591 CD GLN A 36 31.918 -15.152 1.772 1.00 11.80 C ATOM 592 OE1 GLN A 36 30.821 -15.358 2.298 1.00 12.14 O ATOM 593 NE2 GLN A 36 32.906 -16.028 1.825 1.00 12.09 N ATOM 0 H GLN A 36 34.384 -12.369 0.092 1.00 10.85 H new ATOM 0 HA GLN A 36 31.920 -11.130 0.809 1.00 10.51 H new ATOM 0 HB2 GLN A 36 33.722 -13.081 2.293 1.00 11.11 H new ATOM 0 HB3 GLN A 36 32.094 -12.652 2.780 1.00 11.11 H new ATOM 0 HG2 GLN A 36 31.268 -13.517 0.558 1.00 11.25 H new ATOM 0 HG3 GLN A 36 32.897 -14.064 0.214 1.00 11.25 H new ATOM 0 HE21 GLN A 36 33.798 -15.819 1.377 1.00 12.09 H new ATOM 0 HE22 GLN A 36 32.777 -16.914 2.314 1.00 12.09 H new ATOM 602 N GLU A 37 34.633 -10.333 2.508 1.00 11.37 N ATOM 603 CA GLU A 37 35.163 -9.365 3.463 1.00 11.85 C ATOM 604 C GLU A 37 35.094 -7.954 2.893 1.00 11.40 C ATOM 605 O GLU A 37 34.968 -6.972 3.628 1.00 11.56 O ATOM 606 CB GLU A 37 36.603 -9.710 3.851 1.00 12.76 C ATOM 607 CG GLU A 37 37.586 -9.713 2.690 1.00 12.82 C ATOM 608 CD GLU A 37 39.006 -9.992 3.140 1.00 13.79 C ATOM 609 OE1 GLU A 37 39.516 -11.100 2.871 1.00 14.44 O ATOM 610 OE2 GLU A 37 39.614 -9.110 3.779 1.00 13.98 O ATOM 0 H GLU A 37 35.328 -10.966 2.112 1.00 11.37 H new ATOM 0 HA GLU A 37 34.546 -9.409 4.361 1.00 11.85 H new ATOM 0 HB2 GLU A 37 36.946 -8.995 4.599 1.00 12.76 H new ATOM 0 HB3 GLU A 37 36.613 -10.693 4.322 1.00 12.76 H new ATOM 0 HG2 GLU A 37 37.283 -10.466 1.962 1.00 12.82 H new ATOM 0 HG3 GLU A 37 37.550 -8.748 2.184 1.00 12.82 H new ATOM 617 N VAL A 38 35.162 -7.866 1.577 1.00 11.01 N ATOM 618 CA VAL A 38 35.097 -6.589 0.887 1.00 10.78 C ATOM 619 C VAL A 38 33.688 -6.013 0.953 1.00 9.91 C ATOM 620 O VAL A 38 33.503 -4.840 1.262 1.00 9.82 O ATOM 621 CB VAL A 38 35.534 -6.725 -0.586 1.00 10.99 C ATOM 622 CG1 VAL A 38 35.487 -5.381 -1.295 1.00 11.05 C ATOM 623 CG2 VAL A 38 36.927 -7.331 -0.669 1.00 11.61 C ATOM 0 H VAL A 38 35.263 -8.671 0.959 1.00 11.01 H new ATOM 0 HA VAL A 38 35.785 -5.910 1.391 1.00 10.78 H new ATOM 0 HB VAL A 38 34.835 -7.392 -1.091 1.00 10.99 H new ATOM 0 HG11 VAL A 38 35.800 -5.505 -2.332 1.00 11.05 H new ATOM 0 HG12 VAL A 38 34.470 -4.990 -1.267 1.00 11.05 H new ATOM 0 HG13 VAL A 38 36.158 -4.682 -0.795 1.00 11.05 H new ATOM 0 HG21 VAL A 38 37.223 -7.421 -1.714 1.00 11.61 H new ATOM 0 HG22 VAL A 38 37.635 -6.688 -0.146 1.00 11.61 H new ATOM 0 HG23 VAL A 38 36.923 -8.318 -0.207 1.00 11.61 H new ATOM 633 N LYS A 39 32.692 -6.851 0.694 1.00 9.40 N ATOM 634 CA LYS A 39 31.305 -6.401 0.717 1.00 8.62 C ATOM 635 C LYS A 39 30.832 -6.203 2.149 1.00 8.49 C ATOM 636 O LYS A 39 29.901 -5.442 2.413 1.00 8.00 O ATOM 637 CB LYS A 39 30.403 -7.393 -0.015 1.00 8.48 C ATOM 638 CG LYS A 39 30.339 -8.770 0.624 1.00 8.87 C ATOM 639 CD LYS A 39 29.398 -9.706 -0.123 1.00 8.96 C ATOM 640 CE LYS A 39 29.860 -9.952 -1.554 1.00 9.53 C ATOM 641 NZ LYS A 39 29.000 -10.945 -2.251 1.00 9.78 N ATOM 0 H LYS A 39 32.816 -7.838 0.467 1.00 9.40 H new ATOM 0 HA LYS A 39 31.248 -5.443 0.200 1.00 8.62 H new ATOM 0 HB2 LYS A 39 29.395 -6.981 -0.065 1.00 8.48 H new ATOM 0 HB3 LYS A 39 30.755 -7.498 -1.041 1.00 8.48 H new ATOM 0 HG2 LYS A 39 31.338 -9.205 0.648 1.00 8.87 H new ATOM 0 HG3 LYS A 39 30.008 -8.674 1.658 1.00 8.87 H new ATOM 0 HD2 LYS A 39 29.335 -10.657 0.407 1.00 8.96 H new ATOM 0 HD3 LYS A 39 28.395 -9.280 -0.133 1.00 8.96 H new ATOM 0 HE2 LYS A 39 29.849 -9.012 -2.106 1.00 9.53 H new ATOM 0 HE3 LYS A 39 30.891 -10.306 -1.547 1.00 9.53 H new ATOM 0 HZ1 LYS A 39 29.153 -10.877 -3.277 1.00 9.78 H new ATOM 0 HZ2 LYS A 39 29.244 -11.903 -1.927 1.00 9.78 H new ATOM 0 HZ3 LYS A 39 28.001 -10.751 -2.036 1.00 9.78 H new ATOM 655 N ASN A 40 31.491 -6.891 3.070 1.00 9.12 N ATOM 656 CA ASN A 40 31.228 -6.728 4.489 1.00 9.38 C ATOM 657 C ASN A 40 31.676 -5.341 4.926 1.00 9.55 C ATOM 658 O ASN A 40 31.117 -4.747 5.846 1.00 9.39 O ATOM 659 CB ASN A 40 31.964 -7.805 5.294 1.00 10.35 C ATOM 660 CG ASN A 40 31.559 -7.833 6.755 1.00 10.85 C ATOM 661 OD1 ASN A 40 30.424 -7.506 7.107 1.00 10.92 O ATOM 662 ND2 ASN A 40 32.484 -8.233 7.617 1.00 11.43 N ATOM 0 H ASN A 40 32.218 -7.573 2.855 1.00 9.12 H new ATOM 0 HA ASN A 40 30.159 -6.836 4.673 1.00 9.38 H new ATOM 0 HB2 ASN A 40 31.768 -8.781 4.849 1.00 10.35 H new ATOM 0 HB3 ASN A 40 33.038 -7.633 5.224 1.00 10.35 H new ATOM 0 HD21 ASN A 40 32.268 -8.279 8.613 1.00 11.43 H new ATOM 0 HD22 ASN A 40 33.412 -8.495 7.284 1.00 11.43 H new ATOM 669 N ALA A 41 32.695 -4.834 4.247 1.00 10.04 N ATOM 670 CA ALA A 41 33.183 -3.483 4.488 1.00 10.52 C ATOM 671 C ALA A 41 32.352 -2.481 3.701 1.00 9.85 C ATOM 672 O ALA A 41 32.052 -1.383 4.170 1.00 10.08 O ATOM 673 CB ALA A 41 34.655 -3.369 4.116 1.00 11.43 C ATOM 0 H ALA A 41 33.202 -5.340 3.521 1.00 10.04 H new ATOM 0 HA ALA A 41 33.085 -3.261 5.551 1.00 10.52 H new ATOM 0 HB1 ALA A 41 35.000 -2.352 4.303 1.00 11.43 H new ATOM 0 HB2 ALA A 41 35.237 -4.067 4.718 1.00 11.43 H new ATOM 0 HB3 ALA A 41 34.783 -3.607 3.060 1.00 11.43 H new ATOM 679 N ALA A 42 31.975 -2.885 2.493 1.00 9.19 N ATOM 680 CA ALA A 42 31.201 -2.042 1.595 1.00 8.71 C ATOM 681 C ALA A 42 29.872 -1.629 2.210 1.00 7.86 C ATOM 682 O ALA A 42 29.425 -0.511 2.021 1.00 7.82 O ATOM 683 CB ALA A 42 30.970 -2.750 0.269 1.00 8.58 C ATOM 0 H ALA A 42 32.198 -3.804 2.111 1.00 9.19 H new ATOM 0 HA ALA A 42 31.779 -1.135 1.420 1.00 8.71 H new ATOM 0 HB1 ALA A 42 30.389 -2.106 -0.391 1.00 8.58 H new ATOM 0 HB2 ALA A 42 31.930 -2.975 -0.196 1.00 8.58 H new ATOM 0 HB3 ALA A 42 30.425 -3.678 0.442 1.00 8.58 H new ATOM 689 N THR A 43 29.246 -2.517 2.957 1.00 7.35 N ATOM 690 CA THR A 43 27.951 -2.212 3.545 1.00 6.63 C ATOM 691 C THR A 43 28.032 -1.006 4.479 1.00 6.87 C ATOM 692 O THR A 43 27.170 -0.128 4.456 1.00 6.42 O ATOM 693 CB THR A 43 27.386 -3.420 4.309 1.00 6.60 C ATOM 694 OG1 THR A 43 28.399 -3.973 5.157 1.00 6.93 O ATOM 695 CG2 THR A 43 26.881 -4.484 3.345 1.00 6.92 C ATOM 0 H THR A 43 29.606 -3.447 3.171 1.00 7.35 H new ATOM 0 HA THR A 43 27.278 -1.971 2.722 1.00 6.63 H new ATOM 0 HB THR A 43 26.547 -3.082 4.917 1.00 6.60 H new ATOM 0 HG1 THR A 43 28.035 -4.742 5.643 1.00 6.93 H new ATOM 0 HG21 THR A 43 26.486 -5.329 3.910 1.00 6.92 H new ATOM 0 HG22 THR A 43 26.092 -4.064 2.721 1.00 6.92 H new ATOM 0 HG23 THR A 43 27.702 -4.822 2.713 1.00 6.92 H new ATOM 703 N GLU A 44 29.075 -0.957 5.292 1.00 7.76 N ATOM 704 CA GLU A 44 29.225 0.119 6.254 1.00 8.32 C ATOM 705 C GLU A 44 29.906 1.353 5.653 1.00 8.48 C ATOM 706 O GLU A 44 29.472 2.478 5.881 1.00 8.35 O ATOM 707 CB GLU A 44 29.975 -0.378 7.493 1.00 9.53 C ATOM 708 CG GLU A 44 31.389 -0.864 7.222 1.00 10.03 C ATOM 709 CD GLU A 44 32.151 -1.162 8.494 1.00 11.07 C ATOM 710 OE1 GLU A 44 32.963 -0.312 8.920 1.00 11.69 O ATOM 711 OE2 GLU A 44 31.938 -2.244 9.078 1.00 11.42 O ATOM 0 H GLU A 44 29.826 -1.647 5.304 1.00 7.76 H new ATOM 0 HA GLU A 44 28.224 0.433 6.550 1.00 8.32 H new ATOM 0 HB2 GLU A 44 30.016 0.429 8.225 1.00 9.53 H new ATOM 0 HB3 GLU A 44 29.406 -1.190 7.945 1.00 9.53 H new ATOM 0 HG2 GLU A 44 31.349 -1.763 6.607 1.00 10.03 H new ATOM 0 HG3 GLU A 44 31.926 -0.108 6.649 1.00 10.03 H new ATOM 718 N THR A 45 30.966 1.148 4.890 1.00 8.95 N ATOM 719 CA THR A 45 31.733 2.256 4.346 1.00 9.49 C ATOM 720 C THR A 45 31.111 2.788 3.058 1.00 8.79 C ATOM 721 O THR A 45 30.956 3.991 2.878 1.00 9.04 O ATOM 722 CB THR A 45 33.185 1.824 4.065 1.00 10.61 C ATOM 723 OG1 THR A 45 33.751 1.219 5.235 1.00 11.34 O ATOM 724 CG2 THR A 45 34.037 3.011 3.644 1.00 11.01 C ATOM 0 H THR A 45 31.315 0.225 4.633 1.00 8.95 H new ATOM 0 HA THR A 45 31.725 3.050 5.092 1.00 9.49 H new ATOM 0 HB THR A 45 33.171 1.101 3.249 1.00 10.61 H new ATOM 0 HG1 THR A 45 34.673 0.945 5.048 1.00 11.34 H new ATOM 0 HG21 THR A 45 35.057 2.677 3.452 1.00 11.01 H new ATOM 0 HG22 THR A 45 33.623 3.453 2.737 1.00 11.01 H new ATOM 0 HG23 THR A 45 34.043 3.755 4.440 1.00 11.01 H new ATOM 732 N LEU A 46 30.734 1.877 2.183 1.00 8.07 N ATOM 733 CA LEU A 46 30.284 2.220 0.843 1.00 7.71 C ATOM 734 C LEU A 46 28.776 2.504 0.818 1.00 6.77 C ATOM 735 O LEU A 46 28.351 3.555 0.347 1.00 6.93 O ATOM 736 CB LEU A 46 30.691 1.069 -0.106 1.00 7.55 C ATOM 737 CG LEU A 46 30.204 1.114 -1.561 1.00 7.70 C ATOM 738 CD1 LEU A 46 28.755 0.666 -1.661 1.00 7.76 C ATOM 739 CD2 LEU A 46 30.394 2.499 -2.153 1.00 8.22 C ATOM 0 H LEU A 46 30.730 0.876 2.379 1.00 8.07 H new ATOM 0 HA LEU A 46 30.759 3.141 0.506 1.00 7.71 H new ATOM 0 HB2 LEU A 46 31.780 1.022 -0.122 1.00 7.55 H new ATOM 0 HB3 LEU A 46 30.338 0.136 0.333 1.00 7.55 H new ATOM 0 HG LEU A 46 30.808 0.418 -2.143 1.00 7.70 H new ATOM 0 HD11 LEU A 46 28.433 0.706 -2.701 1.00 7.76 H new ATOM 0 HD12 LEU A 46 28.664 -0.356 -1.292 1.00 7.76 H new ATOM 0 HD13 LEU A 46 28.128 1.326 -1.061 1.00 7.76 H new ATOM 0 HD21 LEU A 46 30.042 2.505 -3.184 1.00 8.22 H new ATOM 0 HD22 LEU A 46 29.826 3.225 -1.571 1.00 8.22 H new ATOM 0 HD23 LEU A 46 31.451 2.763 -2.129 1.00 8.22 H new ATOM 751 N LEU A 47 27.983 1.587 1.360 1.00 5.99 N ATOM 752 CA LEU A 47 26.524 1.668 1.263 1.00 5.15 C ATOM 753 C LEU A 47 26.015 2.864 2.067 1.00 5.48 C ATOM 754 O LEU A 47 24.955 3.430 1.787 1.00 5.21 O ATOM 755 CB LEU A 47 25.912 0.345 1.763 1.00 4.73 C ATOM 756 CG LEU A 47 24.493 -0.006 1.282 1.00 4.22 C ATOM 757 CD1 LEU A 47 23.439 0.832 1.985 1.00 4.20 C ATOM 758 CD2 LEU A 47 24.380 0.149 -0.227 1.00 4.34 C ATOM 0 H LEU A 47 28.324 0.775 1.874 1.00 5.99 H new ATOM 0 HA LEU A 47 26.223 1.817 0.226 1.00 5.15 H new ATOM 0 HB2 LEU A 47 26.578 -0.466 1.469 1.00 4.73 H new ATOM 0 HB3 LEU A 47 25.902 0.369 2.853 1.00 4.73 H new ATOM 0 HG LEU A 47 24.311 -1.050 1.538 1.00 4.22 H new ATOM 0 HD11 LEU A 47 22.450 0.555 1.619 1.00 4.20 H new ATOM 0 HD12 LEU A 47 23.491 0.655 3.059 1.00 4.20 H new ATOM 0 HD13 LEU A 47 23.619 1.888 1.782 1.00 4.20 H new ATOM 0 HD21 LEU A 47 23.368 -0.104 -0.544 1.00 4.34 H new ATOM 0 HD22 LEU A 47 24.600 1.180 -0.504 1.00 4.34 H new ATOM 0 HD23 LEU A 47 25.091 -0.517 -0.715 1.00 4.34 H new ATOM 770 N VAL A 48 26.781 3.253 3.067 1.00 6.32 N ATOM 771 CA VAL A 48 26.458 4.420 3.864 1.00 6.92 C ATOM 772 C VAL A 48 26.904 5.705 3.159 1.00 7.62 C ATOM 773 O VAL A 48 26.126 6.646 3.014 1.00 7.93 O ATOM 774 CB VAL A 48 27.097 4.322 5.269 1.00 7.91 C ATOM 775 CG1 VAL A 48 26.986 5.633 6.030 1.00 7.84 C ATOM 776 CG2 VAL A 48 26.447 3.197 6.060 1.00 8.67 C ATOM 0 H VAL A 48 27.637 2.775 3.348 1.00 6.32 H new ATOM 0 HA VAL A 48 25.375 4.455 3.983 1.00 6.92 H new ATOM 0 HB VAL A 48 28.157 4.106 5.139 1.00 7.91 H new ATOM 0 HG11 VAL A 48 27.446 5.524 7.012 1.00 7.84 H new ATOM 0 HG12 VAL A 48 27.497 6.420 5.475 1.00 7.84 H new ATOM 0 HG13 VAL A 48 25.935 5.897 6.149 1.00 7.84 H new ATOM 0 HG21 VAL A 48 26.904 3.136 7.048 1.00 8.67 H new ATOM 0 HG22 VAL A 48 25.380 3.395 6.165 1.00 8.67 H new ATOM 0 HG23 VAL A 48 26.591 2.253 5.535 1.00 8.67 H new ATOM 786 N GLN A 49 28.140 5.720 2.687 1.00 8.03 N ATOM 787 CA GLN A 49 28.722 6.918 2.093 1.00 8.97 C ATOM 788 C GLN A 49 28.116 7.237 0.725 1.00 8.65 C ATOM 789 O GLN A 49 27.980 8.403 0.354 1.00 9.36 O ATOM 790 CB GLN A 49 30.236 6.745 1.967 1.00 9.65 C ATOM 791 CG GLN A 49 30.930 7.879 1.232 1.00 10.72 C ATOM 792 CD GLN A 49 32.424 7.663 1.099 1.00 11.48 C ATOM 793 OE1 GLN A 49 33.054 7.036 1.952 1.00 11.55 O ATOM 794 NE2 GLN A 49 32.999 8.181 0.025 1.00 12.22 N ATOM 0 H GLN A 49 28.764 4.913 2.703 1.00 8.03 H new ATOM 0 HA GLN A 49 28.497 7.757 2.751 1.00 8.97 H new ATOM 0 HB2 GLN A 49 30.665 6.657 2.965 1.00 9.65 H new ATOM 0 HB3 GLN A 49 30.442 5.809 1.447 1.00 9.65 H new ATOM 0 HG2 GLN A 49 30.493 7.984 0.239 1.00 10.72 H new ATOM 0 HG3 GLN A 49 30.748 8.814 1.761 1.00 10.72 H new ATOM 0 HE21 GLN A 49 32.439 8.693 -0.656 1.00 12.22 H new ATOM 0 HE22 GLN A 49 34.002 8.068 -0.121 1.00 12.22 H new ATOM 803 N ASN A 50 27.735 6.207 -0.013 1.00 7.73 N ATOM 804 CA ASN A 50 27.299 6.383 -1.392 1.00 7.72 C ATOM 805 C ASN A 50 25.851 6.831 -1.510 1.00 7.17 C ATOM 806 O ASN A 50 25.348 6.978 -2.621 1.00 7.27 O ATOM 807 CB ASN A 50 27.488 5.090 -2.184 1.00 7.34 C ATOM 808 CG ASN A 50 28.618 5.180 -3.189 1.00 7.66 C ATOM 809 OD1 ASN A 50 29.570 5.940 -3.013 1.00 8.30 O ATOM 810 ND2 ASN A 50 28.526 4.392 -4.246 1.00 7.49 N ATOM 0 H ASN A 50 27.718 5.242 0.317 1.00 7.73 H new ATOM 0 HA ASN A 50 27.923 7.175 -1.805 1.00 7.72 H new ATOM 0 HB2 ASN A 50 27.686 4.271 -1.493 1.00 7.34 H new ATOM 0 HB3 ASN A 50 26.562 4.849 -2.706 1.00 7.34 H new ATOM 0 HD21 ASN A 50 29.261 4.399 -4.953 1.00 7.49 H new ATOM 0 HD22 ASN A 50 27.720 3.776 -4.355 1.00 7.49 H new ATOM 817 N ALA A 51 25.159 7.054 -0.402 1.00 6.83 N ATOM 818 CA ALA A 51 23.780 7.484 -0.512 1.00 6.42 C ATOM 819 C ALA A 51 23.642 8.953 -0.180 1.00 7.39 C ATOM 820 O ALA A 51 24.629 9.627 0.120 1.00 8.36 O ATOM 821 CB ALA A 51 22.871 6.653 0.369 1.00 5.86 C ATOM 0 H ALA A 51 25.515 6.949 0.548 1.00 6.83 H new ATOM 0 HA ALA A 51 23.473 7.336 -1.547 1.00 6.42 H new ATOM 0 HB1 ALA A 51 21.844 7.001 0.263 1.00 5.86 H new ATOM 0 HB2 ALA A 51 22.932 5.607 0.070 1.00 5.86 H new ATOM 0 HB3 ALA A 51 23.182 6.752 1.409 1.00 5.86 H new ATOM 827 N ASN A 52 22.417 9.444 -0.250 1.00 7.23 N ATOM 828 CA ASN A 52 22.126 10.824 0.091 1.00 8.14 C ATOM 829 C ASN A 52 22.450 11.080 1.555 1.00 8.57 C ATOM 830 O ASN A 52 21.933 10.380 2.427 1.00 8.09 O ATOM 831 CB ASN A 52 20.653 11.139 -0.196 1.00 7.94 C ATOM 832 CG ASN A 52 20.263 12.561 0.165 1.00 8.81 C ATOM 833 OD1 ASN A 52 21.074 13.481 0.103 1.00 9.40 O ATOM 834 ND2 ASN A 52 19.008 12.751 0.540 1.00 9.07 N ATOM 0 H ASN A 52 21.603 8.903 -0.542 1.00 7.23 H new ATOM 0 HA ASN A 52 22.746 11.479 -0.521 1.00 8.14 H new ATOM 0 HB2 ASN A 52 20.452 10.972 -1.254 1.00 7.94 H new ATOM 0 HB3 ASN A 52 20.025 10.444 0.361 1.00 7.94 H new ATOM 0 HD21 ASN A 52 18.686 13.686 0.789 1.00 9.07 H new ATOM 0 HD22 ASN A 52 18.363 11.962 0.580 1.00 9.07 H new ATOM 841 N PRO A 53 23.357 12.039 1.833 1.00 9.68 N ATOM 842 CA PRO A 53 23.818 12.344 3.190 1.00 10.41 C ATOM 843 C PRO A 53 22.704 12.264 4.226 1.00 10.13 C ATOM 844 O PRO A 53 22.824 11.539 5.213 1.00 10.29 O ATOM 845 CB PRO A 53 24.329 13.775 3.052 1.00 11.56 C ATOM 846 CG PRO A 53 24.862 13.844 1.662 1.00 11.66 C ATOM 847 CD PRO A 53 24.021 12.903 0.834 1.00 10.51 C ATOM 0 HA PRO A 53 24.565 11.633 3.543 1.00 10.41 H new ATOM 0 HB2 PRO A 53 23.530 14.499 3.208 1.00 11.56 H new ATOM 0 HB3 PRO A 53 25.104 13.993 3.786 1.00 11.56 H new ATOM 0 HG2 PRO A 53 24.803 14.861 1.274 1.00 11.66 H new ATOM 0 HG3 PRO A 53 25.912 13.553 1.634 1.00 11.66 H new ATOM 0 HD2 PRO A 53 23.294 13.445 0.230 1.00 10.51 H new ATOM 0 HD3 PRO A 53 24.634 12.320 0.147 1.00 10.51 H new ATOM 855 N ASP A 54 21.613 12.978 3.958 1.00 9.86 N ATOM 856 CA ASP A 54 20.453 13.028 4.850 1.00 9.76 C ATOM 857 C ASP A 54 19.934 11.641 5.188 1.00 8.93 C ATOM 858 O ASP A 54 19.684 11.320 6.348 1.00 9.26 O ATOM 859 CB ASP A 54 19.331 13.814 4.186 1.00 9.71 C ATOM 860 CG ASP A 54 18.115 13.967 5.080 1.00 9.98 C ATOM 861 OD1 ASP A 54 18.229 14.622 6.134 1.00 10.64 O ATOM 862 OD2 ASP A 54 17.042 13.428 4.734 1.00 9.67 O ATOM 0 H ASP A 54 21.507 13.541 3.114 1.00 9.86 H new ATOM 0 HA ASP A 54 20.774 13.511 5.773 1.00 9.76 H new ATOM 0 HB2 ASP A 54 19.700 14.802 3.909 1.00 9.71 H new ATOM 0 HB3 ASP A 54 19.038 13.312 3.264 1.00 9.71 H new ATOM 867 N CYS A 55 19.794 10.823 4.163 1.00 8.04 N ATOM 868 CA CYS A 55 19.240 9.484 4.307 1.00 7.30 C ATOM 869 C CYS A 55 20.084 8.637 5.255 1.00 7.57 C ATOM 870 O CYS A 55 19.557 7.885 6.067 1.00 7.74 O ATOM 871 CB CYS A 55 19.136 8.803 2.941 1.00 6.46 C ATOM 872 SG CYS A 55 18.135 9.715 1.744 1.00 6.30 S ATOM 0 H CYS A 55 20.059 11.064 3.208 1.00 8.04 H new ATOM 0 HA CYS A 55 18.242 9.577 4.734 1.00 7.30 H new ATOM 0 HB2 CYS A 55 20.139 8.670 2.535 1.00 6.46 H new ATOM 0 HB3 CYS A 55 18.711 7.808 3.073 1.00 6.46 H new ATOM 0 HG CYS A 55 17.136 8.977 1.362 1.00 6.30 H new ATOM 878 N LYS A 56 21.397 8.747 5.142 1.00 7.87 N ATOM 879 CA LYS A 56 22.291 8.029 6.047 1.00 8.36 C ATOM 880 C LYS A 56 22.430 8.741 7.381 1.00 9.50 C ATOM 881 O LYS A 56 22.772 8.139 8.397 1.00 10.04 O ATOM 882 CB LYS A 56 23.642 7.791 5.384 1.00 8.58 C ATOM 883 CG LYS A 56 23.680 6.443 4.724 1.00 8.84 C ATOM 884 CD LYS A 56 22.736 6.395 3.549 1.00 8.68 C ATOM 885 CE LYS A 56 21.970 5.082 3.478 1.00 9.50 C ATOM 886 NZ LYS A 56 22.872 3.900 3.424 1.00 9.81 N ATOM 0 H LYS A 56 21.868 9.319 4.441 1.00 7.87 H new ATOM 0 HA LYS A 56 21.848 7.056 6.260 1.00 8.36 H new ATOM 0 HB2 LYS A 56 23.832 8.569 4.644 1.00 8.58 H new ATOM 0 HB3 LYS A 56 24.435 7.859 6.129 1.00 8.58 H new ATOM 0 HG2 LYS A 56 24.694 6.225 4.390 1.00 8.84 H new ATOM 0 HG3 LYS A 56 23.409 5.672 5.445 1.00 8.84 H new ATOM 0 HD2 LYS A 56 22.030 7.222 3.619 1.00 8.68 H new ATOM 0 HD3 LYS A 56 23.300 6.535 2.627 1.00 8.68 H new ATOM 0 HE2 LYS A 56 21.318 4.998 4.347 1.00 9.50 H new ATOM 0 HE3 LYS A 56 21.328 5.086 2.597 1.00 9.50 H new ATOM 0 HZ1 LYS A 56 22.311 3.044 3.241 1.00 9.81 H new ATOM 0 HZ2 LYS A 56 23.567 4.029 2.661 1.00 9.81 H new ATOM 0 HZ3 LYS A 56 23.369 3.801 4.332 1.00 9.81 H new ATOM 900 N THR A 57 22.161 10.022 7.354 1.00 9.98 N ATOM 901 CA THR A 57 22.163 10.846 8.555 1.00 11.08 C ATOM 902 C THR A 57 21.030 10.445 9.506 1.00 11.16 C ATOM 903 O THR A 57 21.241 10.291 10.706 1.00 12.08 O ATOM 904 CB THR A 57 22.032 12.338 8.190 1.00 11.53 C ATOM 905 OG1 THR A 57 23.190 12.771 7.466 1.00 12.00 O ATOM 906 CG2 THR A 57 21.859 13.201 9.425 1.00 12.46 C ATOM 0 H THR A 57 21.933 10.532 6.501 1.00 9.98 H new ATOM 0 HA THR A 57 23.114 10.684 9.063 1.00 11.08 H new ATOM 0 HB THR A 57 21.144 12.448 7.568 1.00 11.53 H new ATOM 0 HG1 THR A 57 23.372 12.144 6.735 1.00 12.00 H new ATOM 0 HG21 THR A 57 21.770 14.246 9.129 1.00 12.46 H new ATOM 0 HG22 THR A 57 20.958 12.897 9.958 1.00 12.46 H new ATOM 0 HG23 THR A 57 22.724 13.081 10.077 1.00 12.46 H new ATOM 914 N ILE A 58 19.833 10.261 8.967 1.00 10.34 N ATOM 915 CA ILE A 58 18.671 9.918 9.786 1.00 10.60 C ATOM 916 C ILE A 58 18.791 8.512 10.373 1.00 10.65 C ATOM 917 O ILE A 58 18.260 8.236 11.448 1.00 11.46 O ATOM 918 CB ILE A 58 17.365 9.999 8.980 1.00 9.96 C ATOM 919 CG1 ILE A 58 17.441 9.068 7.772 1.00 8.86 C ATOM 920 CG2 ILE A 58 17.097 11.434 8.545 1.00 10.22 C ATOM 921 CD1 ILE A 58 16.131 8.871 7.056 1.00 8.44 C ATOM 0 H ILE A 58 19.638 10.342 7.969 1.00 10.34 H new ATOM 0 HA ILE A 58 18.644 10.648 10.595 1.00 10.60 H new ATOM 0 HB ILE A 58 16.537 9.679 9.612 1.00 9.96 H new ATOM 0 HG12 ILE A 58 18.170 9.466 7.067 1.00 8.86 H new ATOM 0 HG13 ILE A 58 17.812 8.097 8.100 1.00 8.86 H new ATOM 0 HG21 ILE A 58 16.169 11.474 7.975 1.00 10.22 H new ATOM 0 HG22 ILE A 58 17.010 12.071 9.425 1.00 10.22 H new ATOM 0 HG23 ILE A 58 17.920 11.785 7.923 1.00 10.22 H new ATOM 0 HD11 ILE A 58 16.276 8.197 6.212 1.00 8.44 H new ATOM 0 HD12 ILE A 58 15.402 8.441 7.743 1.00 8.44 H new ATOM 0 HD13 ILE A 58 15.766 9.832 6.694 1.00 8.44 H new ATOM 933 N LEU A 59 19.476 7.630 9.653 1.00 9.90 N ATOM 934 CA LEU A 59 19.665 6.245 10.090 1.00 9.98 C ATOM 935 C LEU A 59 20.244 6.155 11.498 1.00 11.20 C ATOM 936 O LEU A 59 19.795 5.346 12.312 1.00 11.84 O ATOM 937 CB LEU A 59 20.576 5.490 9.122 1.00 9.07 C ATOM 938 CG LEU A 59 20.043 5.344 7.699 1.00 7.91 C ATOM 939 CD1 LEU A 59 20.941 4.422 6.896 1.00 7.28 C ATOM 940 CD2 LEU A 59 18.611 4.828 7.706 1.00 7.92 C ATOM 0 H LEU A 59 19.913 7.849 8.758 1.00 9.90 H new ATOM 0 HA LEU A 59 18.676 5.786 10.100 1.00 9.98 H new ATOM 0 HB2 LEU A 59 21.537 6.002 9.081 1.00 9.07 H new ATOM 0 HB3 LEU A 59 20.762 4.495 9.526 1.00 9.07 H new ATOM 0 HG LEU A 59 20.043 6.327 7.228 1.00 7.91 H new ATOM 0 HD11 LEU A 59 20.551 4.326 5.883 1.00 7.28 H new ATOM 0 HD12 LEU A 59 21.948 4.837 6.859 1.00 7.28 H new ATOM 0 HD13 LEU A 59 20.970 3.440 7.369 1.00 7.28 H new ATOM 0 HD21 LEU A 59 18.254 4.732 6.681 1.00 7.92 H new ATOM 0 HD22 LEU A 59 18.578 3.854 8.194 1.00 7.92 H new ATOM 0 HD23 LEU A 59 17.975 5.528 8.248 1.00 7.92 H new ATOM 952 N LYS A 60 21.237 6.983 11.788 1.00 11.67 N ATOM 953 CA LYS A 60 21.875 6.959 13.096 1.00 12.90 C ATOM 954 C LYS A 60 20.945 7.522 14.166 1.00 13.86 C ATOM 955 O LYS A 60 21.095 7.228 15.350 1.00 14.91 O ATOM 956 CB LYS A 60 23.189 7.734 13.052 1.00 13.23 C ATOM 957 CG LYS A 60 23.014 9.223 12.830 1.00 13.20 C ATOM 958 CD LYS A 60 24.224 9.819 12.141 1.00 13.44 C ATOM 959 CE LYS A 60 24.204 11.337 12.183 1.00 14.35 C ATOM 960 NZ LYS A 60 24.306 11.857 13.573 1.00 14.91 N ATOM 0 H LYS A 60 21.616 7.675 11.141 1.00 11.67 H new ATOM 0 HA LYS A 60 22.092 5.923 13.358 1.00 12.90 H new ATOM 0 HB2 LYS A 60 23.725 7.576 13.988 1.00 13.23 H new ATOM 0 HB3 LYS A 60 23.813 7.328 12.256 1.00 13.23 H new ATOM 0 HG2 LYS A 60 22.124 9.401 12.227 1.00 13.20 H new ATOM 0 HG3 LYS A 60 22.855 9.720 13.787 1.00 13.20 H new ATOM 0 HD2 LYS A 60 25.132 9.454 12.620 1.00 13.44 H new ATOM 0 HD3 LYS A 60 24.254 9.484 11.104 1.00 13.44 H new ATOM 0 HE2 LYS A 60 25.030 11.727 11.588 1.00 14.35 H new ATOM 0 HE3 LYS A 60 23.283 11.700 11.727 1.00 14.35 H new ATOM 0 HZ1 LYS A 60 24.625 12.846 13.551 1.00 14.91 H new ATOM 0 HZ2 LYS A 60 23.375 11.804 14.033 1.00 14.91 H new ATOM 0 HZ3 LYS A 60 24.989 11.285 14.109 1.00 14.91 H new ATOM 974 N ALA A 61 19.956 8.296 13.735 1.00 13.54 N ATOM 975 CA ALA A 61 18.984 8.874 14.651 1.00 14.41 C ATOM 976 C ALA A 61 17.918 7.850 15.018 1.00 14.65 C ATOM 977 O ALA A 61 17.128 8.062 15.937 1.00 15.64 O ATOM 978 CB ALA A 61 18.349 10.114 14.044 1.00 14.06 C ATOM 0 H ALA A 61 19.807 8.537 12.755 1.00 13.54 H new ATOM 0 HA ALA A 61 19.505 9.167 15.563 1.00 14.41 H new ATOM 0 HB1 ALA A 61 17.625 10.532 14.744 1.00 14.06 H new ATOM 0 HB2 ALA A 61 19.122 10.854 13.836 1.00 14.06 H new ATOM 0 HB3 ALA A 61 17.844 9.847 13.116 1.00 14.06 H new ATOM 984 N LEU A 62 17.886 6.743 14.280 1.00 13.84 N ATOM 985 CA LEU A 62 16.984 5.642 14.593 1.00 14.21 C ATOM 986 C LEU A 62 17.519 4.843 15.777 1.00 14.97 C ATOM 987 O LEU A 62 16.804 4.039 16.374 1.00 15.72 O ATOM 988 CB LEU A 62 16.830 4.727 13.380 1.00 13.37 C ATOM 989 CG LEU A 62 16.388 5.426 12.094 1.00 12.15 C ATOM 990 CD1 LEU A 62 16.510 4.479 10.917 1.00 11.39 C ATOM 991 CD2 LEU A 62 14.961 5.935 12.218 1.00 12.25 C ATOM 0 H LEU A 62 18.475 6.586 13.462 1.00 13.84 H new ATOM 0 HA LEU A 62 16.009 6.054 14.854 1.00 14.21 H new ATOM 0 HB2 LEU A 62 17.782 4.229 13.196 1.00 13.37 H new ATOM 0 HB3 LEU A 62 16.105 3.949 13.620 1.00 13.37 H new ATOM 0 HG LEU A 62 17.041 6.283 11.927 1.00 12.15 H new ATOM 0 HD11 LEU A 62 16.193 4.987 10.007 1.00 11.39 H new ATOM 0 HD12 LEU A 62 17.547 4.161 10.812 1.00 11.39 H new ATOM 0 HD13 LEU A 62 15.878 3.607 11.085 1.00 11.39 H new ATOM 0 HD21 LEU A 62 14.669 6.428 11.291 1.00 12.25 H new ATOM 0 HD22 LEU A 62 14.291 5.097 12.410 1.00 12.25 H new ATOM 0 HD23 LEU A 62 14.898 6.645 13.042 1.00 12.25 H new ATOM 1055 N LEU A 68 19.100 -3.511 8.801 1.00 12.22 N ATOM 1056 CA LEU A 68 18.841 -3.843 7.409 1.00 11.25 C ATOM 1057 C LEU A 68 17.474 -3.319 6.989 1.00 11.10 C ATOM 1058 O LEU A 68 17.369 -2.488 6.085 1.00 10.12 O ATOM 1059 CB LEU A 68 18.945 -5.367 7.204 1.00 11.69 C ATOM 1060 CG LEU A 68 19.015 -5.865 5.748 1.00 10.84 C ATOM 1061 CD1 LEU A 68 17.646 -5.845 5.085 1.00 10.70 C ATOM 1062 CD2 LEU A 68 20.005 -5.034 4.943 1.00 9.79 C ATOM 0 HA LEU A 68 19.590 -3.364 6.779 1.00 11.25 H new ATOM 0 HB2 LEU A 68 19.833 -5.721 7.728 1.00 11.69 H new ATOM 0 HB3 LEU A 68 18.085 -5.834 7.683 1.00 11.69 H new ATOM 0 HG LEU A 68 19.361 -6.898 5.771 1.00 10.84 H new ATOM 0 HD11 LEU A 68 17.733 -6.203 4.059 1.00 10.70 H new ATOM 0 HD12 LEU A 68 16.965 -6.492 5.638 1.00 10.70 H new ATOM 0 HD13 LEU A 68 17.258 -4.826 5.082 1.00 10.70 H new ATOM 0 HD21 LEU A 68 20.040 -5.402 3.918 1.00 9.79 H new ATOM 0 HD22 LEU A 68 19.689 -3.991 4.944 1.00 9.79 H new ATOM 0 HD23 LEU A 68 20.996 -5.114 5.391 1.00 9.79 H new ATOM 1074 N GLU A 69 16.428 -3.769 7.669 1.00 12.16 N ATOM 1075 CA GLU A 69 15.073 -3.395 7.287 1.00 12.26 C ATOM 1076 C GLU A 69 14.788 -1.963 7.699 1.00 11.96 C ATOM 1077 O GLU A 69 13.992 -1.263 7.069 1.00 11.57 O ATOM 1078 CB GLU A 69 14.045 -4.336 7.919 1.00 13.61 C ATOM 1079 CG GLU A 69 14.050 -4.314 9.440 1.00 14.60 C ATOM 1080 CD GLU A 69 12.948 -5.156 10.043 1.00 15.86 C ATOM 1081 OE1 GLU A 69 13.062 -6.397 10.018 1.00 16.53 O ATOM 1082 OE2 GLU A 69 11.965 -4.577 10.552 1.00 16.24 O ATOM 0 H GLU A 69 16.490 -4.386 8.479 1.00 12.16 H new ATOM 0 HA GLU A 69 14.992 -3.478 6.203 1.00 12.26 H new ATOM 0 HB2 GLU A 69 13.051 -4.065 7.564 1.00 13.61 H new ATOM 0 HB3 GLU A 69 14.239 -5.353 7.578 1.00 13.61 H new ATOM 0 HG2 GLU A 69 15.014 -4.673 9.801 1.00 14.60 H new ATOM 0 HG3 GLU A 69 13.944 -3.285 9.784 1.00 14.60 H new ATOM 1089 N GLU A 70 15.464 -1.536 8.752 1.00 12.26 N ATOM 1090 CA GLU A 70 15.279 -0.205 9.291 1.00 12.19 C ATOM 1091 C GLU A 70 15.744 0.836 8.285 1.00 10.92 C ATOM 1092 O GLU A 70 15.005 1.752 7.945 1.00 10.57 O ATOM 1093 CB GLU A 70 16.055 -0.066 10.598 1.00 13.06 C ATOM 1094 CG GLU A 70 15.918 -1.278 11.506 1.00 14.21 C ATOM 1095 CD GLU A 70 16.593 -1.082 12.844 1.00 15.02 C ATOM 1096 OE1 GLU A 70 15.910 -0.663 13.802 1.00 15.56 O ATOM 1097 OE2 GLU A 70 17.811 -1.343 12.942 1.00 15.23 O ATOM 0 H GLU A 70 16.151 -2.100 9.252 1.00 12.26 H new ATOM 0 HA GLU A 70 14.220 -0.044 9.491 1.00 12.19 H new ATOM 0 HB2 GLU A 70 17.109 0.094 10.372 1.00 13.06 H new ATOM 0 HB3 GLU A 70 15.705 0.819 11.129 1.00 13.06 H new ATOM 0 HG2 GLU A 70 14.861 -1.491 11.664 1.00 14.21 H new ATOM 0 HG3 GLU A 70 16.348 -2.149 11.011 1.00 14.21 H new ATOM 1104 N MET A 71 16.954 0.653 7.773 1.00 10.30 N ATOM 1105 CA MET A 71 17.534 1.600 6.825 1.00 9.14 C ATOM 1106 C MET A 71 16.805 1.536 5.496 1.00 8.31 C ATOM 1107 O MET A 71 16.704 2.532 4.781 1.00 7.58 O ATOM 1108 CB MET A 71 19.034 1.345 6.605 1.00 8.85 C ATOM 1109 CG MET A 71 19.362 0.007 5.957 1.00 8.69 C ATOM 1110 SD MET A 71 21.075 -0.094 5.391 1.00 8.41 S ATOM 1111 CE MET A 71 21.969 0.142 6.927 1.00 8.50 C ATOM 0 H MET A 71 17.554 -0.141 7.997 1.00 10.30 H new ATOM 0 HA MET A 71 17.420 2.595 7.255 1.00 9.14 H new ATOM 0 HB2 MET A 71 19.437 2.144 5.982 1.00 8.85 H new ATOM 0 HB3 MET A 71 19.544 1.402 7.567 1.00 8.85 H new ATOM 0 HG2 MET A 71 19.172 -0.794 6.671 1.00 8.69 H new ATOM 0 HG3 MET A 71 18.694 -0.156 5.111 1.00 8.69 H new ATOM 0 HE1 MET A 71 23.029 -0.054 6.765 1.00 8.50 H new ATOM 0 HE2 MET A 71 21.838 1.168 7.270 1.00 8.50 H new ATOM 0 HE3 MET A 71 21.585 -0.545 7.681 1.00 8.50 H new ATOM 1121 N MET A 72 16.279 0.363 5.178 1.00 8.67 N ATOM 1122 CA MET A 72 15.583 0.170 3.922 1.00 8.32 C ATOM 1123 C MET A 72 14.280 0.935 3.928 1.00 8.63 C ATOM 1124 O MET A 72 13.968 1.661 2.991 1.00 8.10 O ATOM 1125 CB MET A 72 15.321 -1.311 3.672 1.00 9.08 C ATOM 1126 CG MET A 72 14.672 -1.591 2.326 1.00 9.10 C ATOM 1127 SD MET A 72 14.393 -3.345 2.039 1.00 10.28 S ATOM 1128 CE MET A 72 16.056 -3.973 2.236 1.00 11.15 C ATOM 0 H MET A 72 16.322 -0.465 5.772 1.00 8.67 H new ATOM 0 HA MET A 72 16.214 0.548 3.117 1.00 8.32 H new ATOM 0 HB2 MET A 72 16.264 -1.854 3.732 1.00 9.08 H new ATOM 0 HB3 MET A 72 14.679 -1.697 4.464 1.00 9.08 H new ATOM 0 HG2 MET A 72 13.721 -1.062 2.269 1.00 9.10 H new ATOM 0 HG3 MET A 72 15.305 -1.194 1.533 1.00 9.10 H new ATOM 0 HE1 MET A 72 16.126 -4.964 1.788 1.00 11.15 H new ATOM 0 HE2 MET A 72 16.759 -3.301 1.744 1.00 11.15 H new ATOM 0 HE3 MET A 72 16.297 -4.037 3.297 1.00 11.15 H new ATOM 1138 N THR A 73 13.537 0.765 4.999 1.00 9.62 N ATOM 1139 CA THR A 73 12.270 1.449 5.176 1.00 10.09 C ATOM 1140 C THR A 73 12.475 2.954 5.357 1.00 9.53 C ATOM 1141 O THR A 73 11.812 3.766 4.709 1.00 9.49 O ATOM 1142 CB THR A 73 11.532 0.883 6.401 1.00 11.37 C ATOM 1143 OG1 THR A 73 11.451 -0.548 6.301 1.00 12.02 O ATOM 1144 CG2 THR A 73 10.132 1.466 6.519 1.00 11.93 C ATOM 0 H THR A 73 13.791 0.150 5.772 1.00 9.62 H new ATOM 0 HA THR A 73 11.673 1.286 4.279 1.00 10.09 H new ATOM 0 HB THR A 73 12.094 1.160 7.293 1.00 11.37 H new ATOM 0 HG1 THR A 73 12.285 -0.946 6.627 1.00 12.02 H new ATOM 0 HG21 THR A 73 9.636 1.047 7.394 1.00 11.93 H new ATOM 0 HG22 THR A 73 10.196 2.549 6.623 1.00 11.93 H new ATOM 0 HG23 THR A 73 9.559 1.221 5.625 1.00 11.93 H new ATOM 1152 N ALA A 74 13.422 3.308 6.221 1.00 9.27 N ATOM 1153 CA ALA A 74 13.662 4.697 6.603 1.00 9.02 C ATOM 1154 C ALA A 74 13.998 5.583 5.406 1.00 8.01 C ATOM 1155 O ALA A 74 13.530 6.717 5.315 1.00 8.00 O ATOM 1156 CB ALA A 74 14.783 4.760 7.628 1.00 9.32 C ATOM 0 H ALA A 74 14.045 2.641 6.676 1.00 9.27 H new ATOM 0 HA ALA A 74 12.738 5.081 7.036 1.00 9.02 H new ATOM 0 HB1 ALA A 74 14.960 5.798 7.911 1.00 9.32 H new ATOM 0 HB2 ALA A 74 14.501 4.186 8.511 1.00 9.32 H new ATOM 0 HB3 ALA A 74 15.693 4.341 7.198 1.00 9.32 H new ATOM 1162 N CYS A 75 14.800 5.063 4.488 1.00 7.31 N ATOM 1163 CA CYS A 75 15.261 5.851 3.353 1.00 6.51 C ATOM 1164 C CYS A 75 14.295 5.777 2.166 1.00 6.63 C ATOM 1165 O CYS A 75 14.630 6.192 1.058 1.00 6.46 O ATOM 1166 CB CYS A 75 16.653 5.389 2.931 1.00 5.86 C ATOM 1167 SG CYS A 75 17.923 5.607 4.200 1.00 6.16 S ATOM 0 H CYS A 75 15.144 4.103 4.506 1.00 7.31 H new ATOM 0 HA CYS A 75 15.302 6.893 3.671 1.00 6.51 H new ATOM 0 HB2 CYS A 75 16.606 4.335 2.657 1.00 5.86 H new ATOM 0 HB3 CYS A 75 16.950 5.938 2.037 1.00 5.86 H new ATOM 0 HG CYS A 75 19.066 5.184 3.747 1.00 6.16 H new ATOM 1173 N GLN A 76 13.101 5.241 2.392 1.00 7.27 N ATOM 1174 CA GLN A 76 12.068 5.243 1.362 1.00 7.76 C ATOM 1175 C GLN A 76 11.071 6.368 1.608 1.00 8.19 C ATOM 1176 O GLN A 76 10.359 6.375 2.613 1.00 8.73 O ATOM 1177 CB GLN A 76 11.333 3.900 1.314 1.00 8.60 C ATOM 1178 CG GLN A 76 12.212 2.744 0.873 1.00 9.19 C ATOM 1179 CD GLN A 76 11.461 1.426 0.789 1.00 10.10 C ATOM 1180 OE1 GLN A 76 10.267 1.388 0.492 1.00 10.49 O ATOM 1181 NE2 GLN A 76 12.159 0.336 1.060 1.00 10.66 N ATOM 0 H GLN A 76 12.825 4.803 3.271 1.00 7.27 H new ATOM 0 HA GLN A 76 12.558 5.403 0.401 1.00 7.76 H new ATOM 0 HB2 GLN A 76 10.927 3.681 2.302 1.00 8.60 H new ATOM 0 HB3 GLN A 76 10.486 3.983 0.633 1.00 8.60 H new ATOM 0 HG2 GLN A 76 12.643 2.973 -0.102 1.00 9.19 H new ATOM 0 HG3 GLN A 76 13.042 2.639 1.571 1.00 9.19 H new ATOM 0 HE21 GLN A 76 13.147 0.410 1.302 1.00 10.66 H new ATOM 0 HE22 GLN A 76 11.709 -0.579 1.027 1.00 10.66 H new ATOM 1190 N GLY A 77 11.022 7.317 0.685 1.00 8.13 N ATOM 1191 CA GLY A 77 10.076 8.411 0.795 1.00 8.58 C ATOM 1192 C GLY A 77 10.733 9.713 1.208 1.00 8.30 C ATOM 1193 O GLY A 77 10.068 10.744 1.305 1.00 8.85 O ATOM 0 H GLY A 77 11.621 7.350 -0.140 1.00 8.13 H new ATOM 0 HA2 GLY A 77 9.574 8.550 -0.163 1.00 8.58 H new ATOM 0 HA3 GLY A 77 9.308 8.150 1.523 1.00 8.58 H new ATOM 1197 N VAL A 78 12.037 9.668 1.443 1.00 7.65 N ATOM 1198 CA VAL A 78 12.784 10.853 1.852 1.00 7.69 C ATOM 1199 C VAL A 78 12.834 11.873 0.718 1.00 8.18 C ATOM 1200 O VAL A 78 13.540 11.683 -0.273 1.00 8.24 O ATOM 1201 CB VAL A 78 14.222 10.493 2.283 1.00 7.30 C ATOM 1202 CG1 VAL A 78 14.990 11.741 2.694 1.00 7.56 C ATOM 1203 CG2 VAL A 78 14.203 9.480 3.417 1.00 7.23 C ATOM 0 H VAL A 78 12.602 8.823 1.358 1.00 7.65 H new ATOM 0 HA VAL A 78 12.264 11.286 2.707 1.00 7.69 H new ATOM 0 HB VAL A 78 14.731 10.045 1.430 1.00 7.30 H new ATOM 0 HG11 VAL A 78 16.001 11.464 2.994 1.00 7.56 H new ATOM 0 HG12 VAL A 78 15.038 12.432 1.853 1.00 7.56 H new ATOM 0 HG13 VAL A 78 14.482 12.222 3.530 1.00 7.56 H new ATOM 0 HG21 VAL A 78 15.226 9.239 3.707 1.00 7.23 H new ATOM 0 HG22 VAL A 78 13.673 9.901 4.272 1.00 7.23 H new ATOM 0 HG23 VAL A 78 13.696 8.573 3.086 1.00 7.23 H new