USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=13 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= 2.02 K(o=-5.4,f=-13!) USER MOD Set 1.2: A 52 ASN : amide:sc= -3.63! C(o=-5.4!,f=-11!) USER MOD Set 1.3: A 55 CYS SG : rot -20:sc= -3.75! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot -145:sc= 0.729 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -109:sc= 1.25 USER MOD Single : A 33 GLN : amide:sc= -0.736 K(o=-0.74,f=-1.9) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.76) 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= -0.485 X(o=-0.49,f=-0.19) USER MOD Single : A 50 ASN : amide:sc= -2.09 K(o=-2.1,f=-6.1!) USER MOD Single : A 56 LYS NZ :NH3+ 149:sc= 2.39 (180deg=1.31) USER MOD Single : A 57 THR OG1 : rot 97:sc= 1.21 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -120:sc= -1.29 (180deg=-1.32) USER MOD Single : A 72 MET CE :methyl 160:sc= -0.0557 (180deg=-0.448) USER MOD Single : A 73 THR OG1 : rot 84:sc= 0.98 USER MOD Single : A 75 CYS SG : rot 85:sc= -4.67! USER MOD Single : A 76 GLN : amide:sc= 1.18 K(o=1.2,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 129 N ASP A 9 27.467 3.490 -9.878 1.00 10.57 N ATOM 130 CA ASP A 9 26.348 4.338 -9.471 1.00 10.51 C ATOM 131 C ASP A 9 25.501 3.634 -8.413 1.00 9.48 C ATOM 132 O ASP A 9 24.304 3.879 -8.276 1.00 9.50 O ATOM 133 CB ASP A 9 25.494 4.729 -10.683 1.00 11.48 C ATOM 134 CG ASP A 9 24.490 5.827 -10.366 1.00 12.16 C ATOM 135 OD1 ASP A 9 23.271 5.568 -10.450 1.00 12.46 O ATOM 136 OD2 ASP A 9 24.917 6.948 -10.011 1.00 12.54 O ATOM 0 HA ASP A 9 26.750 5.252 -9.034 1.00 10.51 H new ATOM 0 HB2 ASP A 9 26.147 5.062 -11.490 1.00 11.48 H new ATOM 0 HB3 ASP A 9 24.962 3.850 -11.046 1.00 11.48 H new ATOM 141 N ILE A 10 26.140 2.744 -7.669 1.00 8.74 N ATOM 142 CA ILE A 10 25.486 2.004 -6.591 1.00 7.86 C ATOM 143 C ILE A 10 25.252 2.884 -5.361 1.00 7.43 C ATOM 144 O ILE A 10 25.078 2.390 -4.249 1.00 6.73 O ATOM 145 CB ILE A 10 26.330 0.781 -6.190 1.00 7.25 C ATOM 146 CG1 ILE A 10 27.769 1.219 -5.888 1.00 7.42 C ATOM 147 CG2 ILE A 10 26.289 -0.268 -7.293 1.00 7.55 C ATOM 148 CD1 ILE A 10 28.738 0.073 -5.709 1.00 7.84 C ATOM 0 H ILE A 10 27.126 2.512 -7.792 1.00 8.74 H new ATOM 0 HA ILE A 10 24.517 1.675 -6.967 1.00 7.86 H new ATOM 0 HB ILE A 10 25.915 0.333 -5.287 1.00 7.25 H new ATOM 0 HG12 ILE A 10 28.122 1.855 -6.700 1.00 7.42 H new ATOM 0 HG13 ILE A 10 27.770 1.826 -4.983 1.00 7.42 H new ATOM 0 HG21 ILE A 10 26.889 -1.129 -6.999 1.00 7.55 H new ATOM 0 HG22 ILE A 10 25.259 -0.583 -7.457 1.00 7.55 H new ATOM 0 HG23 ILE A 10 26.690 0.156 -8.214 1.00 7.55 H new ATOM 0 HD11 ILE A 10 29.732 0.467 -5.499 1.00 7.84 H new ATOM 0 HD12 ILE A 10 28.412 -0.552 -4.878 1.00 7.84 H new ATOM 0 HD13 ILE A 10 28.769 -0.523 -6.621 1.00 7.84 H new ATOM 160 N ARG A 11 25.257 4.188 -5.581 1.00 8.07 N ATOM 161 CA ARG A 11 24.994 5.162 -4.534 1.00 7.96 C ATOM 162 C ARG A 11 23.510 5.493 -4.507 1.00 7.79 C ATOM 163 O ARG A 11 22.770 5.102 -5.408 1.00 8.29 O ATOM 164 CB ARG A 11 25.779 6.444 -4.809 1.00 9.08 C ATOM 165 CG ARG A 11 25.391 7.097 -6.125 1.00 9.98 C ATOM 166 CD ARG A 11 25.929 8.509 -6.240 1.00 10.66 C ATOM 167 NE ARG A 11 25.551 9.120 -7.513 1.00 11.50 N ATOM 168 CZ ARG A 11 25.144 10.383 -7.647 1.00 12.34 C ATOM 169 NH1 ARG A 11 25.015 11.166 -6.579 1.00 12.46 N ATOM 170 NH2 ARG A 11 24.842 10.857 -8.850 1.00 13.19 N ATOM 0 H ARG A 11 25.444 4.603 -6.494 1.00 8.07 H new ATOM 0 HA ARG A 11 25.300 4.742 -3.576 1.00 7.96 H new ATOM 0 HB2 ARG A 11 25.612 7.149 -3.995 1.00 9.08 H new ATOM 0 HB3 ARG A 11 26.845 6.217 -4.821 1.00 9.08 H new ATOM 0 HG2 ARG A 11 25.769 6.497 -6.953 1.00 9.98 H new ATOM 0 HG3 ARG A 11 24.305 7.115 -6.214 1.00 9.98 H new ATOM 0 HD2 ARG A 11 25.548 9.114 -5.417 1.00 10.66 H new ATOM 0 HD3 ARG A 11 27.015 8.495 -6.149 1.00 10.66 H new ATOM 0 HE ARG A 11 25.602 8.543 -8.353 1.00 11.50 H new ATOM 0 HH11 ARG A 11 25.228 10.801 -5.651 1.00 12.46 H new ATOM 0 HH12 ARG A 11 24.703 12.131 -6.689 1.00 12.46 H new ATOM 0 HH21 ARG A 11 24.921 10.255 -9.670 1.00 13.19 H new ATOM 0 HH22 ARG A 11 24.531 11.823 -8.954 1.00 13.19 H new ATOM 184 N GLN A 12 23.083 6.225 -3.492 1.00 7.29 N ATOM 185 CA GLN A 12 21.707 6.681 -3.420 1.00 7.16 C ATOM 186 C GLN A 12 21.626 8.159 -3.767 1.00 7.82 C ATOM 187 O GLN A 12 22.259 8.996 -3.119 1.00 8.10 O ATOM 188 CB GLN A 12 21.120 6.457 -2.027 1.00 6.33 C ATOM 189 CG GLN A 12 19.695 6.973 -1.892 1.00 6.44 C ATOM 190 CD GLN A 12 19.154 6.872 -0.482 1.00 6.33 C ATOM 191 OE1 GLN A 12 19.906 6.896 0.491 1.00 6.37 O ATOM 192 NE2 GLN A 12 17.840 6.797 -0.367 1.00 6.60 N ATOM 0 H GLN A 12 23.668 6.515 -2.709 1.00 7.29 H new ATOM 0 HA GLN A 12 21.128 6.101 -4.139 1.00 7.16 H new ATOM 0 HB2 GLN A 12 21.138 5.391 -1.798 1.00 6.33 H new ATOM 0 HB3 GLN A 12 21.751 6.952 -1.289 1.00 6.33 H new ATOM 0 HG2 GLN A 12 19.661 8.014 -2.213 1.00 6.44 H new ATOM 0 HG3 GLN A 12 19.047 6.410 -2.564 1.00 6.44 H new ATOM 0 HE21 GLN A 12 17.255 6.780 -1.202 1.00 6.60 H new ATOM 0 HE22 GLN A 12 17.410 6.756 0.557 1.00 6.60 H new ATOM 201 N GLY A 13 20.869 8.471 -4.807 1.00 8.30 N ATOM 202 CA GLY A 13 20.601 9.854 -5.138 1.00 9.01 C ATOM 203 C GLY A 13 19.645 10.497 -4.146 1.00 8.63 C ATOM 204 O GLY A 13 19.037 9.797 -3.334 1.00 7.84 O ATOM 0 H GLY A 13 20.434 7.789 -5.429 1.00 8.30 H new ATOM 0 HA2 GLY A 13 21.537 10.412 -5.154 1.00 9.01 H new ATOM 0 HA3 GLY A 13 20.178 9.912 -6.141 1.00 9.01 H new ATOM 208 N PRO A 14 19.469 11.826 -4.205 1.00 9.33 N ATOM 209 CA PRO A 14 18.650 12.577 -3.238 1.00 9.17 C ATOM 210 C PRO A 14 17.211 12.070 -3.120 1.00 8.90 C ATOM 211 O PRO A 14 16.618 12.119 -2.045 1.00 8.50 O ATOM 212 CB PRO A 14 18.661 14.011 -3.784 1.00 10.25 C ATOM 213 CG PRO A 14 19.139 13.897 -5.192 1.00 10.91 C ATOM 214 CD PRO A 14 20.058 12.712 -5.217 1.00 10.46 C ATOM 0 HA PRO A 14 19.056 12.476 -2.231 1.00 9.17 H new ATOM 0 HB2 PRO A 14 17.666 14.455 -3.742 1.00 10.25 H new ATOM 0 HB3 PRO A 14 19.320 14.650 -3.196 1.00 10.25 H new ATOM 0 HG2 PRO A 14 18.304 13.759 -5.878 1.00 10.91 H new ATOM 0 HG3 PRO A 14 19.660 14.803 -5.503 1.00 10.91 H new ATOM 0 HD2 PRO A 14 20.086 12.242 -6.200 1.00 10.46 H new ATOM 0 HD3 PRO A 14 21.082 12.988 -4.967 1.00 10.46 H new ATOM 222 N LYS A 15 16.650 11.587 -4.220 1.00 9.36 N ATOM 223 CA LYS A 15 15.269 11.116 -4.215 1.00 9.53 C ATOM 224 C LYS A 15 15.199 9.640 -4.576 1.00 9.20 C ATOM 225 O LYS A 15 14.119 9.093 -4.804 1.00 9.66 O ATOM 226 CB LYS A 15 14.427 11.929 -5.196 1.00 10.67 C ATOM 227 CG LYS A 15 14.884 11.802 -6.639 1.00 11.41 C ATOM 228 CD LYS A 15 13.995 12.599 -7.574 1.00 12.05 C ATOM 229 CE LYS A 15 12.565 12.074 -7.578 1.00 12.96 C ATOM 230 NZ LYS A 15 11.674 12.886 -8.446 1.00 13.55 N ATOM 0 H LYS A 15 17.123 11.511 -5.120 1.00 9.36 H new ATOM 0 HA LYS A 15 14.871 11.247 -3.209 1.00 9.53 H new ATOM 0 HB2 LYS A 15 13.388 11.608 -5.123 1.00 10.67 H new ATOM 0 HB3 LYS A 15 14.457 12.979 -4.905 1.00 10.67 H new ATOM 0 HG2 LYS A 15 15.913 12.150 -6.728 1.00 11.41 H new ATOM 0 HG3 LYS A 15 14.876 10.753 -6.934 1.00 11.41 H new ATOM 0 HD2 LYS A 15 13.997 13.647 -7.273 1.00 12.05 H new ATOM 0 HD3 LYS A 15 14.401 12.557 -8.585 1.00 12.05 H new ATOM 0 HE2 LYS A 15 12.560 11.039 -7.921 1.00 12.96 H new ATOM 0 HE3 LYS A 15 12.176 12.074 -6.560 1.00 12.96 H new ATOM 0 HZ1 LYS A 15 10.711 12.494 -8.419 1.00 13.55 H new ATOM 0 HZ2 LYS A 15 11.657 13.868 -8.104 1.00 13.55 H new ATOM 0 HZ3 LYS A 15 12.029 12.866 -9.423 1.00 13.55 H new ATOM 244 N GLU A 16 16.353 9.010 -4.634 1.00 8.57 N ATOM 245 CA GLU A 16 16.454 7.616 -5.035 1.00 8.39 C ATOM 246 C GLU A 16 15.986 6.691 -3.911 1.00 7.72 C ATOM 247 O GLU A 16 16.458 6.791 -2.778 1.00 6.94 O ATOM 248 CB GLU A 16 17.898 7.306 -5.416 1.00 8.10 C ATOM 249 CG GLU A 16 18.078 5.990 -6.142 1.00 8.26 C ATOM 250 CD GLU A 16 19.212 6.044 -7.144 1.00 9.36 C ATOM 251 OE1 GLU A 16 20.365 6.261 -6.720 1.00 9.85 O ATOM 252 OE2 GLU A 16 18.967 5.865 -8.351 1.00 9.91 O ATOM 0 H GLU A 16 17.247 9.445 -4.406 1.00 8.57 H new ATOM 0 HA GLU A 16 15.808 7.446 -5.896 1.00 8.39 H new ATOM 0 HB2 GLU A 16 18.277 8.111 -6.046 1.00 8.10 H new ATOM 0 HB3 GLU A 16 18.507 7.296 -4.512 1.00 8.10 H new ATOM 0 HG2 GLU A 16 18.273 5.200 -5.417 1.00 8.26 H new ATOM 0 HG3 GLU A 16 17.153 5.730 -6.656 1.00 8.26 H new ATOM 259 N PRO A 17 15.034 5.785 -4.203 1.00 8.28 N ATOM 260 CA PRO A 17 14.514 4.845 -3.211 1.00 8.07 C ATOM 261 C PRO A 17 15.561 3.828 -2.763 1.00 7.31 C ATOM 262 O PRO A 17 16.336 3.333 -3.582 1.00 7.39 O ATOM 263 CB PRO A 17 13.360 4.134 -3.932 1.00 9.21 C ATOM 264 CG PRO A 17 13.084 4.952 -5.149 1.00 9.95 C ATOM 265 CD PRO A 17 14.383 5.614 -5.510 1.00 9.45 C ATOM 0 HA PRO A 17 14.206 5.362 -2.302 1.00 8.07 H new ATOM 0 HB2 PRO A 17 13.634 3.113 -4.199 1.00 9.21 H new ATOM 0 HB3 PRO A 17 12.479 4.071 -3.294 1.00 9.21 H new ATOM 0 HG2 PRO A 17 12.725 4.326 -5.966 1.00 9.95 H new ATOM 0 HG3 PRO A 17 12.310 5.694 -4.953 1.00 9.95 H new ATOM 0 HD2 PRO A 17 14.979 4.996 -6.181 1.00 9.45 H new ATOM 0 HD3 PRO A 17 14.225 6.569 -6.012 1.00 9.45 H new ATOM 273 N PHE A 18 15.587 3.534 -1.468 1.00 6.75 N ATOM 274 CA PHE A 18 16.582 2.625 -0.892 1.00 6.11 C ATOM 275 C PHE A 18 16.697 1.323 -1.686 1.00 6.56 C ATOM 276 O PHE A 18 17.755 1.019 -2.240 1.00 6.14 O ATOM 277 CB PHE A 18 16.234 2.308 0.563 1.00 6.14 C ATOM 278 CG PHE A 18 17.240 1.421 1.241 1.00 5.98 C ATOM 279 CD1 PHE A 18 17.048 0.050 1.304 1.00 6.36 C ATOM 280 CD2 PHE A 18 18.381 1.955 1.814 1.00 5.83 C ATOM 281 CE1 PHE A 18 17.971 -0.769 1.924 1.00 6.55 C ATOM 282 CE2 PHE A 18 19.309 1.144 2.435 1.00 6.04 C ATOM 283 CZ PHE A 18 19.104 -0.220 2.490 1.00 6.38 C ATOM 0 H PHE A 18 14.927 3.913 -0.789 1.00 6.75 H new ATOM 0 HA PHE A 18 17.545 3.133 -0.937 1.00 6.11 H new ATOM 0 HB2 PHE A 18 16.151 3.241 1.120 1.00 6.14 H new ATOM 0 HB3 PHE A 18 15.256 1.828 0.598 1.00 6.14 H new ATOM 0 HD1 PHE A 18 16.164 -0.384 0.862 1.00 6.36 H new ATOM 0 HD2 PHE A 18 18.548 3.021 1.775 1.00 5.83 H new ATOM 0 HE1 PHE A 18 17.807 -1.836 1.966 1.00 6.55 H new ATOM 0 HE2 PHE A 18 20.195 1.576 2.877 1.00 6.04 H new ATOM 0 HZ PHE A 18 19.829 -0.857 2.975 1.00 6.38 H new ATOM 293 N ARG A 19 15.597 0.578 -1.760 1.00 7.57 N ATOM 294 CA ARG A 19 15.595 -0.735 -2.404 1.00 8.30 C ATOM 295 C ARG A 19 15.940 -0.652 -3.892 1.00 8.53 C ATOM 296 O ARG A 19 16.125 -1.674 -4.546 1.00 8.98 O ATOM 297 CB ARG A 19 14.235 -1.412 -2.233 1.00 9.53 C ATOM 298 CG ARG A 19 13.090 -0.679 -2.913 1.00 10.28 C ATOM 299 CD ARG A 19 11.798 -1.472 -2.821 1.00 11.35 C ATOM 300 NE ARG A 19 10.683 -0.785 -3.466 1.00 12.03 N ATOM 301 CZ ARG A 19 9.471 -1.315 -3.614 1.00 13.02 C ATOM 302 NH1 ARG A 19 9.218 -2.539 -3.163 1.00 13.43 N ATOM 303 NH2 ARG A 19 8.511 -0.621 -4.216 1.00 13.72 N ATOM 0 H ARG A 19 14.693 0.861 -1.381 1.00 7.57 H new ATOM 0 HA ARG A 19 16.367 -1.328 -1.914 1.00 8.30 H new ATOM 0 HB2 ARG A 19 14.292 -2.425 -2.632 1.00 9.53 H new ATOM 0 HB3 ARG A 19 14.016 -1.500 -1.169 1.00 9.53 H new ATOM 0 HG2 ARG A 19 12.954 0.298 -2.449 1.00 10.28 H new ATOM 0 HG3 ARG A 19 13.338 -0.503 -3.960 1.00 10.28 H new ATOM 0 HD2 ARG A 19 11.939 -2.448 -3.285 1.00 11.35 H new ATOM 0 HD3 ARG A 19 11.556 -1.649 -1.773 1.00 11.35 H new ATOM 0 HE ARG A 19 10.842 0.157 -3.824 1.00 12.03 H new ATOM 0 HH11 ARG A 19 9.953 -3.075 -2.702 1.00 13.43 H new ATOM 0 HH12 ARG A 19 8.288 -2.943 -3.278 1.00 13.43 H new ATOM 0 HH21 ARG A 19 8.703 0.318 -4.565 1.00 13.72 H new ATOM 0 HH22 ARG A 19 7.582 -1.027 -4.329 1.00 13.72 H new ATOM 317 N ASP A 20 16.031 0.558 -4.424 1.00 8.44 N ATOM 318 CA ASP A 20 16.343 0.734 -5.830 1.00 9.01 C ATOM 319 C ASP A 20 17.849 0.779 -6.037 1.00 8.27 C ATOM 320 O ASP A 20 18.382 0.076 -6.892 1.00 8.68 O ATOM 321 CB ASP A 20 15.702 2.007 -6.383 1.00 9.59 C ATOM 322 CG ASP A 20 15.741 2.055 -7.899 1.00 10.55 C ATOM 323 OD1 ASP A 20 14.801 1.551 -8.547 1.00 11.24 O ATOM 324 OD2 ASP A 20 16.717 2.607 -8.448 1.00 10.78 O ATOM 0 H ASP A 20 15.894 1.426 -3.905 1.00 8.44 H new ATOM 0 HA ASP A 20 15.934 -0.118 -6.372 1.00 9.01 H new ATOM 0 HB2 ASP A 20 14.667 2.067 -6.046 1.00 9.59 H new ATOM 0 HB3 ASP A 20 16.220 2.877 -5.980 1.00 9.59 H new ATOM 329 N TYR A 21 18.546 1.583 -5.238 1.00 7.30 N ATOM 330 CA TYR A 21 19.989 1.718 -5.399 1.00 6.73 C ATOM 331 C TYR A 21 20.702 0.488 -4.856 1.00 6.19 C ATOM 332 O TYR A 21 21.739 0.075 -5.380 1.00 6.24 O ATOM 333 CB TYR A 21 20.512 3.005 -4.741 1.00 6.06 C ATOM 334 CG TYR A 21 20.851 2.911 -3.264 1.00 5.92 C ATOM 335 CD1 TYR A 21 19.900 3.179 -2.290 1.00 6.01 C ATOM 336 CD2 TYR A 21 22.137 2.578 -2.850 1.00 6.13 C ATOM 337 CE1 TYR A 21 20.219 3.114 -0.945 1.00 6.36 C ATOM 338 CE2 TYR A 21 22.462 2.509 -1.508 1.00 6.47 C ATOM 339 CZ TYR A 21 21.501 2.779 -0.560 1.00 6.60 C ATOM 340 OH TYR A 21 21.819 2.710 0.776 1.00 7.29 O ATOM 0 H TYR A 21 18.143 2.141 -4.486 1.00 7.30 H new ATOM 0 HA TYR A 21 20.204 1.794 -6.465 1.00 6.73 H new ATOM 0 HB2 TYR A 21 21.405 3.326 -5.278 1.00 6.06 H new ATOM 0 HB3 TYR A 21 19.763 3.786 -4.872 1.00 6.06 H new ATOM 0 HD1 TYR A 21 18.895 3.442 -2.586 1.00 6.01 H new ATOM 0 HD2 TYR A 21 22.895 2.370 -3.590 1.00 6.13 H new ATOM 0 HE1 TYR A 21 19.467 3.325 -0.199 1.00 6.36 H new ATOM 0 HE2 TYR A 21 23.464 2.245 -1.205 1.00 6.47 H new ATOM 0 HH TYR A 21 22.743 3.009 0.908 1.00 7.29 H new ATOM 350 N VAL A 22 20.119 -0.116 -3.829 1.00 5.96 N ATOM 351 CA VAL A 22 20.668 -1.332 -3.249 1.00 5.81 C ATOM 352 C VAL A 22 20.517 -2.485 -4.232 1.00 6.77 C ATOM 353 O VAL A 22 21.291 -3.438 -4.215 1.00 6.77 O ATOM 354 CB VAL A 22 19.982 -1.689 -1.909 1.00 5.93 C ATOM 355 CG1 VAL A 22 20.541 -2.981 -1.328 1.00 6.61 C ATOM 356 CG2 VAL A 22 20.152 -0.553 -0.916 1.00 5.41 C ATOM 0 H VAL A 22 19.265 0.217 -3.381 1.00 5.96 H new ATOM 0 HA VAL A 22 21.724 -1.157 -3.044 1.00 5.81 H new ATOM 0 HB VAL A 22 18.920 -1.839 -2.104 1.00 5.93 H new ATOM 0 HG11 VAL A 22 20.038 -3.204 -0.387 1.00 6.61 H new ATOM 0 HG12 VAL A 22 20.375 -3.798 -2.031 1.00 6.61 H new ATOM 0 HG13 VAL A 22 21.610 -2.867 -1.150 1.00 6.61 H new ATOM 0 HG21 VAL A 22 19.665 -0.815 0.023 1.00 5.41 H new ATOM 0 HG22 VAL A 22 21.214 -0.380 -0.739 1.00 5.41 H new ATOM 0 HG23 VAL A 22 19.699 0.353 -1.319 1.00 5.41 H new ATOM 366 N ASP A 23 19.537 -2.366 -5.118 1.00 7.71 N ATOM 367 CA ASP A 23 19.272 -3.412 -6.101 1.00 8.82 C ATOM 368 C ASP A 23 20.423 -3.501 -7.098 1.00 8.87 C ATOM 369 O ASP A 23 20.806 -4.590 -7.524 1.00 9.30 O ATOM 370 CB ASP A 23 17.953 -3.155 -6.833 1.00 9.88 C ATOM 371 CG ASP A 23 17.543 -4.315 -7.719 1.00 11.09 C ATOM 372 OD1 ASP A 23 17.769 -4.246 -8.948 1.00 11.57 O ATOM 373 OD2 ASP A 23 16.984 -5.303 -7.195 1.00 11.68 O ATOM 0 H ASP A 23 18.914 -1.560 -5.178 1.00 7.71 H new ATOM 0 HA ASP A 23 19.187 -4.362 -5.574 1.00 8.82 H new ATOM 0 HB2 ASP A 23 17.167 -2.965 -6.102 1.00 9.88 H new ATOM 0 HB3 ASP A 23 18.048 -2.255 -7.440 1.00 9.88 H new ATOM 378 N ARG A 24 20.999 -2.350 -7.442 1.00 8.57 N ATOM 379 CA ARG A 24 22.147 -2.321 -8.341 1.00 8.91 C ATOM 380 C ARG A 24 23.389 -2.762 -7.588 1.00 8.10 C ATOM 381 O ARG A 24 24.268 -3.427 -8.141 1.00 8.53 O ATOM 382 CB ARG A 24 22.371 -0.925 -8.932 1.00 9.20 C ATOM 383 CG ARG A 24 21.233 -0.431 -9.808 1.00 9.35 C ATOM 384 CD ARG A 24 20.427 0.652 -9.113 1.00 9.42 C ATOM 385 NE ARG A 24 21.259 1.790 -8.725 1.00 10.13 N ATOM 386 CZ ARG A 24 20.774 2.974 -8.353 1.00 10.62 C ATOM 387 NH1 ARG A 24 19.465 3.185 -8.356 1.00 10.53 N ATOM 388 NH2 ARG A 24 21.595 3.949 -7.978 1.00 11.36 N ATOM 0 H ARG A 24 20.692 -1.434 -7.114 1.00 8.57 H new ATOM 0 HA ARG A 24 21.946 -3.003 -9.167 1.00 8.91 H new ATOM 0 HB2 ARG A 24 22.521 -0.217 -8.117 1.00 9.20 H new ATOM 0 HB3 ARG A 24 23.289 -0.934 -9.519 1.00 9.20 H new ATOM 0 HG2 ARG A 24 21.635 -0.043 -10.744 1.00 9.35 H new ATOM 0 HG3 ARG A 24 20.580 -1.265 -10.063 1.00 9.35 H new ATOM 0 HD2 ARG A 24 19.632 0.994 -9.775 1.00 9.42 H new ATOM 0 HD3 ARG A 24 19.947 0.235 -8.228 1.00 9.42 H new ATOM 0 HE ARG A 24 22.272 1.670 -8.740 1.00 10.13 H new ATOM 0 HH11 ARG A 24 18.829 2.441 -8.643 1.00 10.53 H new ATOM 0 HH12 ARG A 24 19.094 4.091 -8.071 1.00 10.53 H new ATOM 0 HH21 ARG A 24 22.603 3.793 -7.974 1.00 11.36 H new ATOM 0 HH22 ARG A 24 21.217 4.853 -7.694 1.00 11.36 H new ATOM 402 N PHE A 25 23.443 -2.392 -6.315 1.00 7.02 N ATOM 403 CA PHE A 25 24.527 -2.799 -5.440 1.00 6.32 C ATOM 404 C PHE A 25 24.545 -4.314 -5.304 1.00 6.59 C ATOM 405 O PHE A 25 25.604 -4.931 -5.235 1.00 6.62 O ATOM 406 CB PHE A 25 24.358 -2.152 -4.063 1.00 5.33 C ATOM 407 CG PHE A 25 25.462 -2.487 -3.101 1.00 4.98 C ATOM 408 CD1 PHE A 25 26.664 -1.793 -3.134 1.00 4.85 C ATOM 409 CD2 PHE A 25 25.300 -3.490 -2.161 1.00 5.26 C ATOM 410 CE1 PHE A 25 27.679 -2.095 -2.248 1.00 4.99 C ATOM 411 CE2 PHE A 25 26.314 -3.797 -1.272 1.00 5.43 C ATOM 412 CZ PHE A 25 27.506 -3.118 -1.326 1.00 5.29 C ATOM 0 H PHE A 25 22.740 -1.805 -5.865 1.00 7.02 H new ATOM 0 HA PHE A 25 25.473 -2.471 -5.872 1.00 6.32 H new ATOM 0 HB2 PHE A 25 24.308 -1.070 -4.183 1.00 5.33 H new ATOM 0 HB3 PHE A 25 23.407 -2.469 -3.636 1.00 5.33 H new ATOM 0 HD1 PHE A 25 26.807 -1.008 -3.861 1.00 4.85 H new ATOM 0 HD2 PHE A 25 24.371 -4.039 -2.121 1.00 5.26 H new ATOM 0 HE1 PHE A 25 28.604 -1.538 -2.272 1.00 4.99 H new ATOM 0 HE2 PHE A 25 26.168 -4.572 -0.534 1.00 5.43 H new ATOM 0 HZ PHE A 25 28.308 -3.380 -0.652 1.00 5.29 H new ATOM 422 N TYR A 26 23.361 -4.906 -5.294 1.00 7.06 N ATOM 423 CA TYR A 26 23.220 -6.340 -5.126 1.00 7.60 C ATOM 424 C TYR A 26 23.627 -7.048 -6.407 1.00 8.54 C ATOM 425 O TYR A 26 24.191 -8.139 -6.378 1.00 8.87 O ATOM 426 CB TYR A 26 21.777 -6.688 -4.753 1.00 8.10 C ATOM 427 CG TYR A 26 21.582 -8.133 -4.353 1.00 8.84 C ATOM 428 CD1 TYR A 26 21.019 -9.042 -5.239 1.00 9.57 C ATOM 429 CD2 TYR A 26 21.963 -8.587 -3.097 1.00 9.04 C ATOM 430 CE1 TYR A 26 20.838 -10.363 -4.883 1.00 10.37 C ATOM 431 CE2 TYR A 26 21.785 -9.909 -2.736 1.00 9.88 C ATOM 432 CZ TYR A 26 21.228 -10.785 -3.604 1.00 10.50 C ATOM 433 OH TYR A 26 21.042 -12.109 -3.275 1.00 11.44 O ATOM 0 H TYR A 26 22.477 -4.408 -5.402 1.00 7.06 H new ATOM 0 HA TYR A 26 23.872 -6.673 -4.319 1.00 7.60 H new ATOM 0 HB2 TYR A 26 21.459 -6.047 -3.931 1.00 8.10 H new ATOM 0 HB3 TYR A 26 21.129 -6.464 -5.600 1.00 8.10 H new ATOM 0 HD1 TYR A 26 20.718 -8.710 -6.222 1.00 9.57 H new ATOM 0 HD2 TYR A 26 22.404 -7.897 -2.393 1.00 9.04 H new ATOM 0 HE1 TYR A 26 20.402 -11.063 -5.580 1.00 10.37 H new ATOM 0 HE2 TYR A 26 22.092 -10.245 -1.756 1.00 9.88 H new ATOM 0 HH TYR A 26 21.356 -12.266 -2.360 1.00 11.44 H new ATOM 443 N LYS A 27 23.343 -6.402 -7.530 1.00 9.08 N ATOM 444 CA LYS A 27 23.726 -6.916 -8.835 1.00 10.12 C ATOM 445 C LYS A 27 25.232 -7.114 -8.927 1.00 10.01 C ATOM 446 O LYS A 27 25.703 -8.203 -9.256 1.00 10.69 O ATOM 447 CB LYS A 27 23.251 -5.965 -9.927 1.00 10.87 C ATOM 448 CG LYS A 27 21.759 -6.040 -10.191 1.00 11.19 C ATOM 449 CD LYS A 27 21.346 -5.143 -11.346 1.00 12.15 C ATOM 450 CE LYS A 27 21.979 -5.587 -12.658 1.00 12.87 C ATOM 451 NZ LYS A 27 21.522 -4.760 -13.805 1.00 13.47 N ATOM 0 H LYS A 27 22.844 -5.513 -7.561 1.00 9.08 H new ATOM 0 HA LYS A 27 23.251 -7.887 -8.973 1.00 10.12 H new ATOM 0 HB2 LYS A 27 23.511 -4.944 -9.647 1.00 10.87 H new ATOM 0 HB3 LYS A 27 23.786 -6.188 -10.850 1.00 10.87 H new ATOM 0 HG2 LYS A 27 21.480 -7.070 -10.413 1.00 11.19 H new ATOM 0 HG3 LYS A 27 21.215 -5.749 -9.292 1.00 11.19 H new ATOM 0 HD2 LYS A 27 20.260 -5.153 -11.444 1.00 12.15 H new ATOM 0 HD3 LYS A 27 21.638 -4.115 -11.131 1.00 12.15 H new ATOM 0 HE2 LYS A 27 23.064 -5.525 -12.576 1.00 12.87 H new ATOM 0 HE3 LYS A 27 21.733 -6.632 -12.844 1.00 12.87 H new ATOM 0 HZ1 LYS A 27 21.977 -5.096 -14.678 1.00 13.47 H new ATOM 0 HZ2 LYS A 27 20.489 -4.839 -13.900 1.00 13.47 H new ATOM 0 HZ3 LYS A 27 21.780 -3.766 -13.641 1.00 13.47 H new ATOM 465 N THR A 28 25.988 -6.069 -8.622 1.00 9.28 N ATOM 466 CA THR A 28 27.437 -6.157 -8.666 1.00 9.35 C ATOM 467 C THR A 28 27.955 -7.012 -7.511 1.00 8.90 C ATOM 468 O THR A 28 29.011 -7.634 -7.615 1.00 9.29 O ATOM 469 CB THR A 28 28.104 -4.760 -8.638 1.00 9.07 C ATOM 470 OG1 THR A 28 29.524 -4.886 -8.798 1.00 9.27 O ATOM 471 CG2 THR A 28 27.803 -4.019 -7.343 1.00 8.30 C ATOM 0 H THR A 28 25.624 -5.158 -8.344 1.00 9.28 H new ATOM 0 HA THR A 28 27.705 -6.630 -9.611 1.00 9.35 H new ATOM 0 HB THR A 28 27.690 -4.183 -9.465 1.00 9.07 H new ATOM 0 HG1 THR A 28 29.968 -4.681 -7.949 1.00 9.27 H new ATOM 0 HG21 THR A 28 28.288 -3.043 -7.361 1.00 8.30 H new ATOM 0 HG22 THR A 28 26.726 -3.887 -7.241 1.00 8.30 H new ATOM 0 HG23 THR A 28 28.179 -4.596 -6.498 1.00 8.30 H new ATOM 479 N LEU A 29 27.180 -7.077 -6.432 1.00 8.24 N ATOM 480 CA LEU A 29 27.576 -7.820 -5.239 1.00 8.03 C ATOM 481 C LEU A 29 27.651 -9.314 -5.542 1.00 8.87 C ATOM 482 O LEU A 29 28.458 -10.039 -4.958 1.00 9.09 O ATOM 483 CB LEU A 29 26.578 -7.564 -4.105 1.00 7.48 C ATOM 484 CG LEU A 29 27.019 -8.033 -2.718 1.00 7.10 C ATOM 485 CD1 LEU A 29 28.217 -7.228 -2.237 1.00 6.93 C ATOM 486 CD2 LEU A 29 25.869 -7.922 -1.730 1.00 6.99 C ATOM 0 H LEU A 29 26.270 -6.622 -6.359 1.00 8.24 H new ATOM 0 HA LEU A 29 28.563 -7.478 -4.928 1.00 8.03 H new ATOM 0 HB2 LEU A 29 26.374 -6.494 -4.059 1.00 7.48 H new ATOM 0 HB3 LEU A 29 25.638 -8.057 -4.354 1.00 7.48 H new ATOM 0 HG LEU A 29 27.315 -9.080 -2.786 1.00 7.10 H new ATOM 0 HD11 LEU A 29 28.516 -7.576 -1.248 1.00 6.93 H new ATOM 0 HD12 LEU A 29 29.046 -7.357 -2.933 1.00 6.93 H new ATOM 0 HD13 LEU A 29 27.949 -6.173 -2.184 1.00 6.93 H new ATOM 0 HD21 LEU A 29 26.199 -8.260 -0.748 1.00 6.99 H new ATOM 0 HD22 LEU A 29 25.543 -6.884 -1.666 1.00 6.99 H new ATOM 0 HD23 LEU A 29 25.039 -8.543 -2.067 1.00 6.99 H new ATOM 498 N ARG A 30 26.813 -9.763 -6.470 1.00 9.50 N ATOM 499 CA ARG A 30 26.798 -11.160 -6.884 1.00 10.45 C ATOM 500 C ARG A 30 28.025 -11.474 -7.736 1.00 10.98 C ATOM 501 O ARG A 30 28.490 -12.614 -7.781 1.00 11.61 O ATOM 502 CB ARG A 30 25.527 -11.467 -7.683 1.00 11.14 C ATOM 503 CG ARG A 30 24.241 -11.176 -6.928 1.00 11.16 C ATOM 504 CD ARG A 30 23.014 -11.395 -7.804 1.00 11.94 C ATOM 505 NE ARG A 30 23.049 -10.579 -9.021 1.00 12.66 N ATOM 506 CZ ARG A 30 21.968 -10.134 -9.660 1.00 13.44 C ATOM 507 NH1 ARG A 30 20.755 -10.413 -9.201 1.00 13.60 N ATOM 508 NH2 ARG A 30 22.104 -9.417 -10.768 1.00 14.19 N ATOM 0 H ARG A 30 26.132 -9.176 -6.952 1.00 9.50 H new ATOM 0 HA ARG A 30 26.815 -11.782 -5.989 1.00 10.45 H new ATOM 0 HB2 ARG A 30 25.537 -10.882 -8.603 1.00 11.14 H new ATOM 0 HB3 ARG A 30 25.537 -12.518 -7.973 1.00 11.14 H new ATOM 0 HG2 ARG A 30 24.181 -11.819 -6.050 1.00 11.16 H new ATOM 0 HG3 ARG A 30 24.254 -10.147 -6.570 1.00 11.16 H new ATOM 0 HD2 ARG A 30 22.948 -12.448 -8.077 1.00 11.94 H new ATOM 0 HD3 ARG A 30 22.116 -11.156 -7.234 1.00 11.94 H new ATOM 0 HE ARG A 30 23.962 -10.335 -9.404 1.00 12.66 H new ATOM 0 HH11 ARG A 30 20.646 -10.971 -8.354 1.00 13.60 H new ATOM 0 HH12 ARG A 30 19.931 -10.069 -9.695 1.00 13.60 H new ATOM 0 HH21 ARG A 30 23.035 -9.208 -11.129 1.00 14.19 H new ATOM 0 HH22 ARG A 30 21.278 -9.075 -11.259 1.00 14.19 H new ATOM 522 N ALA A 31 28.534 -10.456 -8.416 1.00 10.87 N ATOM 523 CA ALA A 31 29.679 -10.614 -9.303 1.00 11.56 C ATOM 524 C ALA A 31 30.996 -10.473 -8.548 1.00 11.34 C ATOM 525 O ALA A 31 31.866 -11.343 -8.623 1.00 11.93 O ATOM 526 CB ALA A 31 29.609 -9.604 -10.438 1.00 11.84 C ATOM 0 H ALA A 31 28.169 -9.505 -8.370 1.00 10.87 H new ATOM 0 HA ALA A 31 29.642 -11.621 -9.719 1.00 11.56 H new ATOM 0 HB1 ALA A 31 30.470 -9.733 -11.093 1.00 11.84 H new ATOM 0 HB2 ALA A 31 28.693 -9.760 -11.008 1.00 11.84 H new ATOM 0 HB3 ALA A 31 29.613 -8.594 -10.027 1.00 11.84 H new ATOM 532 N GLU A 32 31.137 -9.384 -7.801 1.00 10.61 N ATOM 533 CA GLU A 32 32.387 -9.083 -7.107 1.00 10.60 C ATOM 534 C GLU A 32 32.445 -9.768 -5.742 1.00 10.54 C ATOM 535 O GLU A 32 33.097 -9.283 -4.813 1.00 10.89 O ATOM 536 CB GLU A 32 32.554 -7.568 -6.944 1.00 10.22 C ATOM 537 CG GLU A 32 31.505 -6.933 -6.048 1.00 9.56 C ATOM 538 CD GLU A 32 31.714 -5.445 -5.872 1.00 9.48 C ATOM 539 OE1 GLU A 32 31.193 -4.664 -6.697 1.00 9.47 O ATOM 540 OE2 GLU A 32 32.400 -5.046 -4.907 1.00 9.62 O ATOM 0 H GLU A 32 30.401 -8.693 -7.659 1.00 10.61 H new ATOM 0 HA GLU A 32 33.206 -9.469 -7.713 1.00 10.60 H new ATOM 0 HB2 GLU A 32 33.543 -7.362 -6.534 1.00 10.22 H new ATOM 0 HB3 GLU A 32 32.512 -7.099 -7.927 1.00 10.22 H new ATOM 0 HG2 GLU A 32 30.516 -7.110 -6.471 1.00 9.56 H new ATOM 0 HG3 GLU A 32 31.525 -7.417 -5.072 1.00 9.56 H new ATOM 547 N GLN A 33 31.777 -10.911 -5.633 1.00 10.31 N ATOM 548 CA GLN A 33 31.745 -11.672 -4.391 1.00 10.45 C ATOM 549 C GLN A 33 33.085 -12.360 -4.137 1.00 10.39 C ATOM 550 O GLN A 33 33.298 -12.964 -3.089 1.00 10.09 O ATOM 551 CB GLN A 33 30.597 -12.695 -4.429 1.00 10.44 C ATOM 552 CG GLN A 33 30.609 -13.620 -5.641 1.00 10.76 C ATOM 553 CD GLN A 33 31.616 -14.750 -5.529 1.00 11.12 C ATOM 554 OE1 GLN A 33 31.911 -15.235 -4.436 1.00 11.23 O ATOM 555 NE2 GLN A 33 32.147 -15.177 -6.659 1.00 11.52 N ATOM 0 H GLN A 33 31.247 -11.333 -6.396 1.00 10.31 H new ATOM 0 HA GLN A 33 31.567 -10.983 -3.565 1.00 10.45 H new ATOM 0 HB2 GLN A 33 30.639 -13.302 -3.525 1.00 10.44 H new ATOM 0 HB3 GLN A 33 29.649 -12.158 -4.408 1.00 10.44 H new ATOM 0 HG2 GLN A 33 29.613 -14.043 -5.775 1.00 10.76 H new ATOM 0 HG3 GLN A 33 30.830 -13.034 -6.533 1.00 10.76 H new ATOM 0 HE21 GLN A 33 31.876 -14.748 -7.544 1.00 11.52 H new ATOM 0 HE22 GLN A 33 32.829 -15.936 -6.648 1.00 11.52 H new ATOM 564 N ALA A 34 33.984 -12.251 -5.109 1.00 10.90 N ATOM 565 CA ALA A 34 35.302 -12.860 -5.012 1.00 11.19 C ATOM 566 C ALA A 34 36.076 -12.269 -3.842 1.00 11.09 C ATOM 567 O ALA A 34 36.574 -12.999 -2.981 1.00 11.27 O ATOM 568 CB ALA A 34 36.066 -12.672 -6.312 1.00 11.97 C ATOM 0 H ALA A 34 33.821 -11.743 -5.978 1.00 10.90 H new ATOM 0 HA ALA A 34 35.181 -13.929 -4.836 1.00 11.19 H new ATOM 0 HB1 ALA A 34 37.050 -13.132 -6.225 1.00 11.97 H new ATOM 0 HB2 ALA A 34 35.516 -13.141 -7.128 1.00 11.97 H new ATOM 0 HB3 ALA A 34 36.180 -11.607 -6.516 1.00 11.97 H new ATOM 574 N SER A 35 36.167 -10.948 -3.808 1.00 11.05 N ATOM 575 CA SER A 35 36.776 -10.254 -2.685 1.00 11.21 C ATOM 576 C SER A 35 35.752 -10.117 -1.560 1.00 10.64 C ATOM 577 O SER A 35 35.202 -9.038 -1.329 1.00 10.19 O ATOM 578 CB SER A 35 37.274 -8.880 -3.127 1.00 11.48 C ATOM 579 OG SER A 35 38.049 -8.976 -4.310 1.00 12.02 O ATOM 0 H SER A 35 35.826 -10.334 -4.548 1.00 11.05 H new ATOM 0 HA SER A 35 37.629 -10.827 -2.321 1.00 11.21 H new ATOM 0 HB2 SER A 35 36.424 -8.219 -3.298 1.00 11.48 H new ATOM 0 HB3 SER A 35 37.871 -8.433 -2.332 1.00 11.48 H new ATOM 0 HG SER A 35 38.355 -8.083 -4.574 1.00 12.02 H new ATOM 585 N GLN A 36 35.499 -11.221 -0.864 1.00 10.85 N ATOM 586 CA GLN A 36 34.423 -11.287 0.119 1.00 10.51 C ATOM 587 C GLN A 36 34.597 -10.263 1.235 1.00 10.66 C ATOM 588 O GLN A 36 33.635 -9.607 1.632 1.00 10.26 O ATOM 589 CB GLN A 36 34.316 -12.698 0.705 1.00 11.11 C ATOM 590 CG GLN A 36 35.590 -13.200 1.367 1.00 11.25 C ATOM 591 CD GLN A 36 35.455 -14.611 1.900 1.00 11.80 C ATOM 592 OE1 GLN A 36 34.701 -15.426 1.363 1.00 12.14 O ATOM 593 NE2 GLN A 36 36.185 -14.913 2.960 1.00 12.09 N ATOM 0 H GLN A 36 36.028 -12.087 -0.964 1.00 10.85 H new ATOM 0 HA GLN A 36 33.497 -11.045 -0.403 1.00 10.51 H new ATOM 0 HB2 GLN A 36 33.509 -12.714 1.438 1.00 11.11 H new ATOM 0 HB3 GLN A 36 34.038 -13.389 -0.091 1.00 11.11 H new ATOM 0 HG2 GLN A 36 36.407 -13.165 0.646 1.00 11.25 H new ATOM 0 HG3 GLN A 36 35.857 -12.531 2.185 1.00 11.25 H new ATOM 0 HE21 GLN A 36 36.797 -14.210 3.375 1.00 12.09 H new ATOM 0 HE22 GLN A 36 36.137 -15.849 3.363 1.00 12.09 H new ATOM 602 N GLU A 37 35.822 -10.113 1.718 1.00 11.37 N ATOM 603 CA GLU A 37 36.101 -9.222 2.841 1.00 11.85 C ATOM 604 C GLU A 37 35.632 -7.791 2.581 1.00 11.40 C ATOM 605 O GLU A 37 34.934 -7.202 3.408 1.00 11.56 O ATOM 606 CB GLU A 37 37.594 -9.231 3.192 1.00 12.76 C ATOM 607 CG GLU A 37 38.517 -9.002 2.004 1.00 12.82 C ATOM 608 CD GLU A 37 39.956 -8.789 2.421 1.00 13.79 C ATOM 609 OE1 GLU A 37 40.609 -9.767 2.838 1.00 14.44 O ATOM 610 OE2 GLU A 37 40.451 -7.647 2.325 1.00 13.98 O ATOM 0 H GLU A 37 36.642 -10.597 1.351 1.00 11.37 H new ATOM 0 HA GLU A 37 35.533 -9.605 3.689 1.00 11.85 H new ATOM 0 HB2 GLU A 37 37.784 -8.461 3.939 1.00 12.76 H new ATOM 0 HB3 GLU A 37 37.842 -10.188 3.651 1.00 12.76 H new ATOM 0 HG2 GLU A 37 38.460 -9.859 1.333 1.00 12.82 H new ATOM 0 HG3 GLU A 37 38.172 -8.134 1.442 1.00 12.82 H new ATOM 617 N VAL A 38 35.985 -7.249 1.427 1.00 11.01 N ATOM 618 CA VAL A 38 35.706 -5.855 1.134 1.00 10.78 C ATOM 619 C VAL A 38 34.250 -5.635 0.738 1.00 9.91 C ATOM 620 O VAL A 38 33.684 -4.583 1.014 1.00 9.82 O ATOM 621 CB VAL A 38 36.632 -5.310 0.029 1.00 10.99 C ATOM 622 CG1 VAL A 38 38.075 -5.297 0.502 1.00 11.05 C ATOM 623 CG2 VAL A 38 36.500 -6.118 -1.249 1.00 11.61 C ATOM 0 H VAL A 38 36.464 -7.752 0.680 1.00 11.01 H new ATOM 0 HA VAL A 38 35.898 -5.305 2.055 1.00 10.78 H new ATOM 0 HB VAL A 38 36.326 -4.287 -0.188 1.00 10.99 H new ATOM 0 HG11 VAL A 38 38.714 -4.909 -0.291 1.00 11.05 H new ATOM 0 HG12 VAL A 38 38.163 -4.661 1.383 1.00 11.05 H new ATOM 0 HG13 VAL A 38 38.384 -6.311 0.754 1.00 11.05 H new ATOM 0 HG21 VAL A 38 37.166 -5.709 -2.009 1.00 11.61 H new ATOM 0 HG22 VAL A 38 36.768 -7.156 -1.053 1.00 11.61 H new ATOM 0 HG23 VAL A 38 35.471 -6.071 -1.605 1.00 11.61 H new ATOM 633 N LYS A 39 33.631 -6.632 0.118 1.00 9.40 N ATOM 634 CA LYS A 39 32.248 -6.485 -0.323 1.00 8.62 C ATOM 635 C LYS A 39 31.297 -6.678 0.851 1.00 8.49 C ATOM 636 O LYS A 39 30.214 -6.094 0.895 1.00 8.00 O ATOM 637 CB LYS A 39 31.933 -7.446 -1.482 1.00 8.48 C ATOM 638 CG LYS A 39 32.004 -8.929 -1.141 1.00 8.87 C ATOM 639 CD LYS A 39 30.673 -9.464 -0.631 1.00 8.96 C ATOM 640 CE LYS A 39 30.746 -10.954 -0.349 1.00 9.53 C ATOM 641 NZ LYS A 39 29.444 -11.500 0.118 1.00 9.78 N ATOM 0 H LYS A 39 34.055 -7.536 -0.089 1.00 9.40 H new ATOM 0 HA LYS A 39 32.107 -5.473 -0.702 1.00 8.62 H new ATOM 0 HB2 LYS A 39 30.933 -7.224 -1.854 1.00 8.48 H new ATOM 0 HB3 LYS A 39 32.628 -7.245 -2.297 1.00 8.48 H new ATOM 0 HG2 LYS A 39 32.305 -9.490 -2.026 1.00 8.87 H new ATOM 0 HG3 LYS A 39 32.773 -9.090 -0.385 1.00 8.87 H new ATOM 0 HD2 LYS A 39 30.390 -8.934 0.278 1.00 8.96 H new ATOM 0 HD3 LYS A 39 29.894 -9.270 -1.369 1.00 8.96 H new ATOM 0 HE2 LYS A 39 31.055 -11.479 -1.253 1.00 9.53 H new ATOM 0 HE3 LYS A 39 31.509 -11.143 0.406 1.00 9.53 H new ATOM 0 HZ1 LYS A 39 29.540 -12.520 0.298 1.00 9.78 H new ATOM 0 HZ2 LYS A 39 29.160 -11.018 0.995 1.00 9.78 H new ATOM 0 HZ3 LYS A 39 28.720 -11.344 -0.612 1.00 9.78 H new ATOM 655 N ASN A 40 31.729 -7.478 1.817 1.00 9.12 N ATOM 656 CA ASN A 40 30.977 -7.673 3.047 1.00 9.38 C ATOM 657 C ASN A 40 31.115 -6.433 3.922 1.00 9.55 C ATOM 658 O ASN A 40 30.287 -6.163 4.789 1.00 9.39 O ATOM 659 CB ASN A 40 31.479 -8.915 3.789 1.00 10.35 C ATOM 660 CG ASN A 40 30.623 -9.268 4.990 1.00 10.85 C ATOM 661 OD1 ASN A 40 29.414 -9.034 4.998 1.00 10.92 O ATOM 662 ND2 ASN A 40 31.243 -9.839 6.010 1.00 11.43 N ATOM 0 H ASN A 40 32.601 -8.004 1.771 1.00 9.12 H new ATOM 0 HA ASN A 40 29.925 -7.827 2.807 1.00 9.38 H new ATOM 0 HB2 ASN A 40 31.498 -9.760 3.101 1.00 10.35 H new ATOM 0 HB3 ASN A 40 32.505 -8.747 4.117 1.00 10.35 H new ATOM 0 HD21 ASN A 40 30.717 -10.103 6.843 1.00 11.43 H new ATOM 0 HD22 ASN A 40 32.247 -10.015 5.963 1.00 11.43 H new ATOM 669 N ALA A 41 32.173 -5.673 3.673 1.00 10.04 N ATOM 670 CA ALA A 41 32.377 -4.404 4.353 1.00 10.52 C ATOM 671 C ALA A 41 31.572 -3.316 3.658 1.00 9.85 C ATOM 672 O ALA A 41 30.939 -2.479 4.300 1.00 10.08 O ATOM 673 CB ALA A 41 33.853 -4.045 4.380 1.00 11.43 C ATOM 0 H ALA A 41 32.904 -5.915 3.004 1.00 10.04 H new ATOM 0 HA ALA A 41 32.034 -4.493 5.384 1.00 10.52 H new ATOM 0 HB1 ALA A 41 33.986 -3.092 4.893 1.00 11.43 H new ATOM 0 HB2 ALA A 41 34.407 -4.822 4.907 1.00 11.43 H new ATOM 0 HB3 ALA A 41 34.226 -3.963 3.359 1.00 11.43 H new ATOM 679 N ALA A 42 31.592 -3.353 2.332 1.00 9.19 N ATOM 680 CA ALA A 42 30.883 -2.383 1.512 1.00 8.71 C ATOM 681 C ALA A 42 29.386 -2.385 1.802 1.00 7.86 C ATOM 682 O ALA A 42 28.748 -1.339 1.833 1.00 7.82 O ATOM 683 CB ALA A 42 31.135 -2.659 0.038 1.00 8.58 C ATOM 0 H ALA A 42 32.100 -4.056 1.796 1.00 9.19 H new ATOM 0 HA ALA A 42 31.266 -1.394 1.763 1.00 8.71 H new ATOM 0 HB1 ALA A 42 30.599 -1.927 -0.566 1.00 8.58 H new ATOM 0 HB2 ALA A 42 32.203 -2.588 -0.168 1.00 8.58 H new ATOM 0 HB3 ALA A 42 30.784 -3.661 -0.210 1.00 8.58 H new ATOM 689 N THR A 43 28.824 -3.554 2.031 1.00 7.35 N ATOM 690 CA THR A 43 27.396 -3.649 2.276 1.00 6.63 C ATOM 691 C THR A 43 27.016 -2.956 3.586 1.00 6.87 C ATOM 692 O THR A 43 25.946 -2.366 3.691 1.00 6.42 O ATOM 693 CB THR A 43 26.906 -5.115 2.292 1.00 6.60 C ATOM 694 OG1 THR A 43 25.482 -5.165 2.459 1.00 6.93 O ATOM 695 CG2 THR A 43 27.568 -5.889 3.413 1.00 6.92 C ATOM 0 H THR A 43 29.325 -4.442 2.053 1.00 7.35 H new ATOM 0 HA THR A 43 26.901 -3.140 1.449 1.00 6.63 H new ATOM 0 HB THR A 43 27.175 -5.569 1.338 1.00 6.60 H new ATOM 0 HG1 THR A 43 25.186 -6.099 2.466 1.00 6.93 H new ATOM 0 HG21 THR A 43 27.209 -6.918 3.406 1.00 6.92 H new ATOM 0 HG22 THR A 43 28.649 -5.881 3.272 1.00 6.92 H new ATOM 0 HG23 THR A 43 27.323 -5.426 4.369 1.00 6.92 H new ATOM 703 N GLU A 44 27.891 -3.027 4.584 1.00 7.76 N ATOM 704 CA GLU A 44 27.600 -2.417 5.870 1.00 8.32 C ATOM 705 C GLU A 44 27.991 -0.933 5.903 1.00 8.48 C ATOM 706 O GLU A 44 27.145 -0.073 6.138 1.00 8.35 O ATOM 707 CB GLU A 44 28.250 -3.209 7.018 1.00 9.53 C ATOM 708 CG GLU A 44 29.765 -3.331 6.953 1.00 10.03 C ATOM 709 CD GLU A 44 30.341 -4.048 8.158 1.00 11.07 C ATOM 710 OE1 GLU A 44 30.753 -3.372 9.124 1.00 11.69 O ATOM 711 OE2 GLU A 44 30.382 -5.297 8.147 1.00 11.42 O ATOM 0 H GLU A 44 28.795 -3.495 4.526 1.00 7.76 H new ATOM 0 HA GLU A 44 26.520 -2.457 6.015 1.00 8.32 H new ATOM 0 HB2 GLU A 44 27.981 -2.734 7.962 1.00 9.53 H new ATOM 0 HB3 GLU A 44 27.822 -4.212 7.032 1.00 9.53 H new ATOM 0 HG2 GLU A 44 30.045 -3.868 6.047 1.00 10.03 H new ATOM 0 HG3 GLU A 44 30.204 -2.336 6.882 1.00 10.03 H new ATOM 718 N THR A 45 29.261 -0.627 5.647 1.00 8.95 N ATOM 719 CA THR A 45 29.752 0.737 5.810 1.00 9.49 C ATOM 720 C THR A 45 29.524 1.591 4.560 1.00 8.79 C ATOM 721 O THR A 45 29.321 2.798 4.662 1.00 9.04 O ATOM 722 CB THR A 45 31.250 0.772 6.209 1.00 10.61 C ATOM 723 OG1 THR A 45 31.632 2.108 6.567 1.00 11.34 O ATOM 724 CG2 THR A 45 32.147 0.278 5.082 1.00 11.01 C ATOM 0 H THR A 45 29.961 -1.297 5.329 1.00 8.95 H new ATOM 0 HA THR A 45 29.169 1.167 6.624 1.00 9.49 H new ATOM 0 HB THR A 45 31.376 0.106 7.062 1.00 10.61 H new ATOM 0 HG1 THR A 45 32.579 2.121 6.819 1.00 11.34 H new ATOM 0 HG21 THR A 45 33.188 0.318 5.402 1.00 11.01 H new ATOM 0 HG22 THR A 45 31.884 -0.750 4.831 1.00 11.01 H new ATOM 0 HG23 THR A 45 32.012 0.911 4.205 1.00 11.01 H new ATOM 732 N LEU A 46 29.538 0.975 3.385 1.00 8.07 N ATOM 733 CA LEU A 46 29.457 1.741 2.150 1.00 7.71 C ATOM 734 C LEU A 46 28.015 2.070 1.784 1.00 6.77 C ATOM 735 O LEU A 46 27.748 3.160 1.290 1.00 6.93 O ATOM 736 CB LEU A 46 30.140 1.005 0.998 1.00 7.55 C ATOM 737 CG LEU A 46 30.002 1.670 -0.371 1.00 7.70 C ATOM 738 CD1 LEU A 46 30.857 2.926 -0.455 1.00 7.76 C ATOM 739 CD2 LEU A 46 30.369 0.690 -1.467 1.00 8.22 C ATOM 0 H LEU A 46 29.604 -0.035 3.262 1.00 8.07 H new ATOM 0 HA LEU A 46 29.983 2.680 2.323 1.00 7.71 H new ATOM 0 HB2 LEU A 46 31.200 0.904 1.230 1.00 7.55 H new ATOM 0 HB3 LEU A 46 29.730 -0.003 0.938 1.00 7.55 H new ATOM 0 HG LEU A 46 28.962 1.968 -0.507 1.00 7.70 H new ATOM 0 HD11 LEU A 46 30.741 3.380 -1.439 1.00 7.76 H new ATOM 0 HD12 LEU A 46 30.540 3.634 0.311 1.00 7.76 H new ATOM 0 HD13 LEU A 46 31.903 2.665 -0.297 1.00 7.76 H new ATOM 0 HD21 LEU A 46 30.267 1.175 -2.438 1.00 8.22 H new ATOM 0 HD22 LEU A 46 31.400 0.362 -1.332 1.00 8.22 H new ATOM 0 HD23 LEU A 46 29.705 -0.173 -1.421 1.00 8.22 H new ATOM 751 N LEU A 47 27.085 1.144 2.020 1.00 5.99 N ATOM 752 CA LEU A 47 25.678 1.406 1.704 1.00 5.15 C ATOM 753 C LEU A 47 25.154 2.626 2.459 1.00 5.48 C ATOM 754 O LEU A 47 24.327 3.375 1.943 1.00 5.21 O ATOM 755 CB LEU A 47 24.795 0.189 2.001 1.00 4.73 C ATOM 756 CG LEU A 47 24.817 -0.911 0.934 1.00 4.22 C ATOM 757 CD1 LEU A 47 23.875 -2.042 1.316 1.00 4.20 C ATOM 758 CD2 LEU A 47 24.437 -0.346 -0.428 1.00 4.34 C ATOM 0 H LEU A 47 27.272 0.225 2.420 1.00 5.99 H new ATOM 0 HA LEU A 47 25.630 1.612 0.635 1.00 5.15 H new ATOM 0 HB2 LEU A 47 25.108 -0.243 2.952 1.00 4.73 H new ATOM 0 HB3 LEU A 47 23.767 0.529 2.128 1.00 4.73 H new ATOM 0 HG LEU A 47 25.831 -1.307 0.873 1.00 4.22 H new ATOM 0 HD11 LEU A 47 23.903 -2.814 0.547 1.00 4.20 H new ATOM 0 HD12 LEU A 47 24.186 -2.468 2.270 1.00 4.20 H new ATOM 0 HD13 LEU A 47 22.860 -1.656 1.405 1.00 4.20 H new ATOM 0 HD21 LEU A 47 24.459 -1.143 -1.171 1.00 4.34 H new ATOM 0 HD22 LEU A 47 23.434 0.078 -0.379 1.00 4.34 H new ATOM 0 HD23 LEU A 47 25.146 0.432 -0.710 1.00 4.34 H new ATOM 770 N VAL A 48 25.633 2.825 3.680 1.00 6.32 N ATOM 771 CA VAL A 48 25.263 4.004 4.448 1.00 6.92 C ATOM 772 C VAL A 48 26.110 5.208 4.041 1.00 7.62 C ATOM 773 O VAL A 48 25.680 6.350 4.167 1.00 7.93 O ATOM 774 CB VAL A 48 25.378 3.774 5.970 1.00 7.91 C ATOM 775 CG1 VAL A 48 24.316 2.796 6.446 1.00 7.84 C ATOM 776 CG2 VAL A 48 26.762 3.271 6.349 1.00 8.67 C ATOM 0 H VAL A 48 26.274 2.190 4.156 1.00 6.32 H new ATOM 0 HA VAL A 48 24.216 4.207 4.221 1.00 6.92 H new ATOM 0 HB VAL A 48 25.219 4.733 6.463 1.00 7.91 H new ATOM 0 HG11 VAL A 48 24.414 2.647 7.521 1.00 7.84 H new ATOM 0 HG12 VAL A 48 23.327 3.196 6.224 1.00 7.84 H new ATOM 0 HG13 VAL A 48 24.445 1.842 5.935 1.00 7.84 H new ATOM 0 HG21 VAL A 48 26.811 3.119 7.427 1.00 8.67 H new ATOM 0 HG22 VAL A 48 26.958 2.327 5.840 1.00 8.67 H new ATOM 0 HG23 VAL A 48 27.510 4.006 6.052 1.00 8.67 H new ATOM 786 N GLN A 49 27.306 4.945 3.540 1.00 8.03 N ATOM 787 CA GLN A 49 28.217 6.003 3.119 1.00 8.97 C ATOM 788 C GLN A 49 27.730 6.630 1.817 1.00 8.65 C ATOM 789 O GLN A 49 27.573 7.850 1.726 1.00 9.36 O ATOM 790 CB GLN A 49 29.633 5.430 2.955 1.00 9.65 C ATOM 791 CG GLN A 49 30.756 6.464 2.971 1.00 10.72 C ATOM 792 CD GLN A 49 30.947 7.181 1.647 1.00 11.48 C ATOM 793 OE1 GLN A 49 31.669 6.704 0.771 1.00 11.55 O ATOM 794 NE2 GLN A 49 30.341 8.347 1.503 1.00 12.22 N ATOM 0 H GLN A 49 27.673 4.002 3.413 1.00 8.03 H new ATOM 0 HA GLN A 49 28.242 6.782 3.881 1.00 8.97 H new ATOM 0 HB2 GLN A 49 29.812 4.710 3.754 1.00 9.65 H new ATOM 0 HB3 GLN A 49 29.679 4.881 2.015 1.00 9.65 H new ATOM 0 HG2 GLN A 49 30.547 7.201 3.746 1.00 10.72 H new ATOM 0 HG3 GLN A 49 31.688 5.970 3.244 1.00 10.72 H new ATOM 0 HE21 GLN A 49 29.750 8.710 2.251 1.00 12.22 H new ATOM 0 HE22 GLN A 49 30.464 8.883 0.644 1.00 12.22 H new ATOM 803 N ASN A 50 27.457 5.794 0.820 1.00 7.73 N ATOM 804 CA ASN A 50 27.048 6.277 -0.497 1.00 7.72 C ATOM 805 C ASN A 50 25.563 6.625 -0.527 1.00 7.17 C ATOM 806 O ASN A 50 25.025 6.997 -1.572 1.00 7.27 O ATOM 807 CB ASN A 50 27.382 5.248 -1.590 1.00 7.34 C ATOM 808 CG ASN A 50 26.618 3.933 -1.469 1.00 7.66 C ATOM 809 OD1 ASN A 50 25.509 3.871 -0.947 1.00 8.30 O ATOM 810 ND2 ASN A 50 27.215 2.865 -1.973 1.00 7.49 N ATOM 0 H ASN A 50 27.511 4.778 0.898 1.00 7.73 H new ATOM 0 HA ASN A 50 27.611 7.188 -0.699 1.00 7.72 H new ATOM 0 HB2 ASN A 50 27.171 5.689 -2.564 1.00 7.34 H new ATOM 0 HB3 ASN A 50 28.451 5.038 -1.560 1.00 7.34 H new ATOM 0 HD21 ASN A 50 26.753 1.957 -1.934 1.00 7.49 H new ATOM 0 HD22 ASN A 50 28.137 2.950 -2.400 1.00 7.49 H new ATOM 817 N ALA A 51 24.908 6.497 0.618 1.00 6.83 N ATOM 818 CA ALA A 51 23.501 6.838 0.736 1.00 6.42 C ATOM 819 C ALA A 51 23.300 8.342 0.614 1.00 7.39 C ATOM 820 O ALA A 51 24.253 9.121 0.700 1.00 8.36 O ATOM 821 CB ALA A 51 22.939 6.345 2.061 1.00 5.86 C ATOM 0 H ALA A 51 25.332 6.158 1.481 1.00 6.83 H new ATOM 0 HA ALA A 51 22.966 6.347 -0.077 1.00 6.42 H new ATOM 0 HB1 ALA A 51 21.884 6.610 2.130 1.00 5.86 H new ATOM 0 HB2 ALA A 51 23.045 5.262 2.121 1.00 5.86 H new ATOM 0 HB3 ALA A 51 23.484 6.809 2.883 1.00 5.86 H new ATOM 827 N ASN A 52 22.053 8.742 0.430 1.00 7.23 N ATOM 828 CA ASN A 52 21.698 10.151 0.365 1.00 8.14 C ATOM 829 C ASN A 52 22.032 10.810 1.698 1.00 8.57 C ATOM 830 O ASN A 52 21.642 10.299 2.749 1.00 8.09 O ATOM 831 CB ASN A 52 20.202 10.299 0.047 1.00 7.94 C ATOM 832 CG ASN A 52 19.728 11.743 -0.009 1.00 8.81 C ATOM 833 OD1 ASN A 52 20.462 12.646 -0.402 1.00 9.40 O ATOM 834 ND2 ASN A 52 18.484 11.968 0.382 1.00 9.07 N ATOM 0 H ASN A 52 21.263 8.106 0.322 1.00 7.23 H new ATOM 0 HA ASN A 52 22.265 10.640 -0.427 1.00 8.14 H new ATOM 0 HB2 ASN A 52 19.994 9.820 -0.910 1.00 7.94 H new ATOM 0 HB3 ASN A 52 19.625 9.766 0.802 1.00 7.94 H new ATOM 0 HD21 ASN A 52 18.107 12.916 0.363 1.00 9.07 H new ATOM 0 HD22 ASN A 52 17.902 11.194 0.703 1.00 9.07 H new ATOM 841 N PRO A 53 22.798 11.919 1.670 1.00 9.68 N ATOM 842 CA PRO A 53 23.268 12.619 2.868 1.00 10.41 C ATOM 843 C PRO A 53 22.256 12.642 4.011 1.00 10.13 C ATOM 844 O PRO A 53 22.557 12.210 5.123 1.00 10.29 O ATOM 845 CB PRO A 53 23.515 14.030 2.346 1.00 11.56 C ATOM 846 CG PRO A 53 23.970 13.830 0.941 1.00 11.66 C ATOM 847 CD PRO A 53 23.297 12.575 0.442 1.00 10.51 C ATOM 0 HA PRO A 53 24.138 12.129 3.304 1.00 10.41 H new ATOM 0 HB2 PRO A 53 22.608 14.634 2.388 1.00 11.56 H new ATOM 0 HB3 PRO A 53 24.270 14.547 2.939 1.00 11.56 H new ATOM 0 HG2 PRO A 53 23.701 14.686 0.322 1.00 11.66 H new ATOM 0 HG3 PRO A 53 25.055 13.732 0.896 1.00 11.66 H new ATOM 0 HD2 PRO A 53 22.483 12.806 -0.245 1.00 10.51 H new ATOM 0 HD3 PRO A 53 23.996 11.935 -0.096 1.00 10.51 H new ATOM 855 N ASP A 54 21.049 13.104 3.719 1.00 9.86 N ATOM 856 CA ASP A 54 20.021 13.274 4.744 1.00 9.76 C ATOM 857 C ASP A 54 19.561 11.930 5.297 1.00 8.93 C ATOM 858 O ASP A 54 19.305 11.792 6.493 1.00 9.26 O ATOM 859 CB ASP A 54 18.828 14.025 4.161 1.00 9.71 C ATOM 860 CG ASP A 54 18.068 14.805 5.215 1.00 9.98 C ATOM 861 OD1 ASP A 54 18.601 15.810 5.720 1.00 10.64 O ATOM 862 OD2 ASP A 54 16.930 14.406 5.548 1.00 9.67 O ATOM 0 H ASP A 54 20.754 13.369 2.779 1.00 9.86 H new ATOM 0 HA ASP A 54 20.453 13.849 5.563 1.00 9.76 H new ATOM 0 HB2 ASP A 54 19.175 14.709 3.386 1.00 9.71 H new ATOM 0 HB3 ASP A 54 18.154 13.315 3.681 1.00 9.71 H new ATOM 867 N CYS A 55 19.495 10.938 4.422 1.00 8.04 N ATOM 868 CA CYS A 55 19.013 9.608 4.786 1.00 7.30 C ATOM 869 C CYS A 55 19.926 8.961 5.819 1.00 7.57 C ATOM 870 O CYS A 55 19.480 8.549 6.884 1.00 7.74 O ATOM 871 CB CYS A 55 18.931 8.709 3.553 1.00 6.46 C ATOM 872 SG CYS A 55 17.909 9.367 2.220 1.00 6.30 S ATOM 0 H CYS A 55 19.772 11.028 3.444 1.00 8.04 H new ATOM 0 HA CYS A 55 18.018 9.725 5.215 1.00 7.30 H new ATOM 0 HB2 CYS A 55 19.939 8.541 3.173 1.00 6.46 H new ATOM 0 HB3 CYS A 55 18.537 7.738 3.852 1.00 6.46 H new ATOM 0 HG CYS A 55 17.105 10.271 2.696 1.00 6.30 H new ATOM 878 N LYS A 56 21.210 8.886 5.509 1.00 7.87 N ATOM 879 CA LYS A 56 22.159 8.240 6.403 1.00 8.36 C ATOM 880 C LYS A 56 22.332 9.058 7.679 1.00 9.50 C ATOM 881 O LYS A 56 22.700 8.530 8.730 1.00 10.04 O ATOM 882 CB LYS A 56 23.495 8.027 5.695 1.00 8.58 C ATOM 883 CG LYS A 56 24.224 9.307 5.327 1.00 8.84 C ATOM 884 CD LYS A 56 24.715 9.265 3.891 1.00 8.68 C ATOM 885 CE LYS A 56 25.878 10.211 3.667 1.00 9.50 C ATOM 886 NZ LYS A 56 26.322 10.216 2.248 1.00 9.81 N ATOM 0 H LYS A 56 21.618 9.261 4.652 1.00 7.87 H new ATOM 0 HA LYS A 56 21.768 7.262 6.684 1.00 8.36 H new ATOM 0 HB2 LYS A 56 24.141 7.428 6.337 1.00 8.58 H new ATOM 0 HB3 LYS A 56 23.323 7.448 4.788 1.00 8.58 H new ATOM 0 HG2 LYS A 56 23.558 10.160 5.462 1.00 8.84 H new ATOM 0 HG3 LYS A 56 25.069 9.453 5.999 1.00 8.84 H new ATOM 0 HD2 LYS A 56 25.019 8.249 3.640 1.00 8.68 H new ATOM 0 HD3 LYS A 56 23.898 9.528 3.219 1.00 8.68 H new ATOM 0 HE2 LYS A 56 25.587 11.220 3.960 1.00 9.50 H new ATOM 0 HE3 LYS A 56 26.711 9.921 4.307 1.00 9.50 H new ATOM 0 HZ1 LYS A 56 26.696 11.155 2.005 1.00 9.81 H new ATOM 0 HZ2 LYS A 56 27.066 9.502 2.115 1.00 9.81 H new ATOM 0 HZ3 LYS A 56 25.515 9.994 1.631 1.00 9.81 H new ATOM 900 N THR A 57 22.046 10.344 7.578 1.00 9.98 N ATOM 901 CA THR A 57 22.050 11.229 8.728 1.00 11.08 C ATOM 902 C THR A 57 20.984 10.812 9.750 1.00 11.16 C ATOM 903 O THR A 57 21.238 10.806 10.957 1.00 12.08 O ATOM 904 CB THR A 57 21.824 12.687 8.282 1.00 11.53 C ATOM 905 OG1 THR A 57 22.954 13.144 7.530 1.00 12.00 O ATOM 906 CG2 THR A 57 21.598 13.610 9.464 1.00 12.46 C ATOM 0 H THR A 57 21.805 10.803 6.699 1.00 9.98 H new ATOM 0 HA THR A 57 23.026 11.155 9.209 1.00 11.08 H new ATOM 0 HB THR A 57 20.927 12.708 7.662 1.00 11.53 H new ATOM 0 HG1 THR A 57 22.772 13.043 6.572 1.00 12.00 H new ATOM 0 HG21 THR A 57 21.443 14.628 9.106 1.00 12.46 H new ATOM 0 HG22 THR A 57 20.719 13.282 10.019 1.00 12.46 H new ATOM 0 HG23 THR A 57 22.470 13.584 10.118 1.00 12.46 H new ATOM 914 N ILE A 58 19.804 10.441 9.272 1.00 10.34 N ATOM 915 CA ILE A 58 18.727 10.040 10.171 1.00 10.60 C ATOM 916 C ILE A 58 18.848 8.571 10.577 1.00 10.65 C ATOM 917 O ILE A 58 18.319 8.168 11.612 1.00 11.46 O ATOM 918 CB ILE A 58 17.316 10.349 9.601 1.00 9.96 C ATOM 919 CG1 ILE A 58 17.076 9.701 8.233 1.00 8.86 C ATOM 920 CG2 ILE A 58 17.111 11.852 9.506 1.00 10.22 C ATOM 921 CD1 ILE A 58 16.569 8.276 8.303 1.00 8.44 C ATOM 0 H ILE A 58 19.568 10.409 8.280 1.00 10.34 H new ATOM 0 HA ILE A 58 18.841 10.649 11.068 1.00 10.60 H new ATOM 0 HB ILE A 58 16.591 9.918 10.292 1.00 9.96 H new ATOM 0 HG12 ILE A 58 16.357 10.304 7.679 1.00 8.86 H new ATOM 0 HG13 ILE A 58 18.008 9.716 7.668 1.00 8.86 H new ATOM 0 HG21 ILE A 58 16.119 12.059 9.105 1.00 10.22 H new ATOM 0 HG22 ILE A 58 17.202 12.295 10.498 1.00 10.22 H new ATOM 0 HG23 ILE A 58 17.865 12.281 8.847 1.00 10.22 H new ATOM 0 HD11 ILE A 58 16.425 7.891 7.293 1.00 8.44 H new ATOM 0 HD12 ILE A 58 17.296 7.656 8.827 1.00 8.44 H new ATOM 0 HD13 ILE A 58 15.620 8.253 8.839 1.00 8.44 H new ATOM 933 N LEU A 59 19.550 7.775 9.771 1.00 9.90 N ATOM 934 CA LEU A 59 19.747 6.356 10.081 1.00 9.98 C ATOM 935 C LEU A 59 20.425 6.189 11.434 1.00 11.20 C ATOM 936 O LEU A 59 20.043 5.337 12.241 1.00 11.84 O ATOM 937 CB LEU A 59 20.598 5.667 9.011 1.00 9.07 C ATOM 938 CG LEU A 59 19.987 5.594 7.613 1.00 7.91 C ATOM 939 CD1 LEU A 59 20.896 4.803 6.684 1.00 7.28 C ATOM 940 CD2 LEU A 59 18.599 4.971 7.661 1.00 7.92 C ATOM 0 H LEU A 59 19.990 8.084 8.904 1.00 9.90 H new ATOM 0 HA LEU A 59 18.761 5.892 10.106 1.00 9.98 H new ATOM 0 HB2 LEU A 59 21.552 6.190 8.942 1.00 9.07 H new ATOM 0 HB3 LEU A 59 20.814 4.652 9.345 1.00 9.07 H new ATOM 0 HG LEU A 59 19.889 6.608 7.226 1.00 7.91 H new ATOM 0 HD11 LEU A 59 20.450 4.758 5.690 1.00 7.28 H new ATOM 0 HD12 LEU A 59 21.868 5.292 6.623 1.00 7.28 H new ATOM 0 HD13 LEU A 59 21.022 3.792 7.072 1.00 7.28 H new ATOM 0 HD21 LEU A 59 18.184 4.929 6.654 1.00 7.92 H new ATOM 0 HD22 LEU A 59 18.667 3.962 8.067 1.00 7.92 H new ATOM 0 HD23 LEU A 59 17.951 5.575 8.296 1.00 7.92 H new ATOM 952 N LYS A 60 21.428 7.016 11.684 1.00 11.67 N ATOM 953 CA LYS A 60 22.174 6.957 12.932 1.00 12.90 C ATOM 954 C LYS A 60 21.364 7.570 14.069 1.00 13.86 C ATOM 955 O LYS A 60 21.581 7.259 15.237 1.00 14.91 O ATOM 956 CB LYS A 60 23.520 7.666 12.774 1.00 13.23 C ATOM 957 CG LYS A 60 23.402 9.119 12.353 1.00 13.20 C ATOM 958 CD LYS A 60 24.715 9.654 11.811 1.00 13.44 C ATOM 959 CE LYS A 60 25.819 9.598 12.854 1.00 14.35 C ATOM 960 NZ LYS A 60 27.124 10.052 12.305 1.00 14.91 N ATOM 0 H LYS A 60 21.745 7.738 11.037 1.00 11.67 H new ATOM 0 HA LYS A 60 22.363 5.913 13.180 1.00 12.90 H new ATOM 0 HB2 LYS A 60 24.060 7.614 13.719 1.00 13.23 H new ATOM 0 HB3 LYS A 60 24.117 7.131 12.036 1.00 13.23 H new ATOM 0 HG2 LYS A 60 22.628 9.216 11.592 1.00 13.20 H new ATOM 0 HG3 LYS A 60 23.088 9.721 13.206 1.00 13.20 H new ATOM 0 HD2 LYS A 60 25.011 9.074 10.937 1.00 13.44 H new ATOM 0 HD3 LYS A 60 24.579 10.684 11.480 1.00 13.44 H new ATOM 0 HE2 LYS A 60 25.546 10.222 13.705 1.00 14.35 H new ATOM 0 HE3 LYS A 60 25.916 8.578 13.225 1.00 14.35 H new ATOM 0 HZ1 LYS A 60 27.850 9.999 13.047 1.00 14.91 H new ATOM 0 HZ2 LYS A 60 27.397 9.441 11.509 1.00 14.91 H new ATOM 0 HZ3 LYS A 60 27.039 11.034 11.974 1.00 14.91 H new ATOM 974 N ALA A 61 20.404 8.415 13.712 1.00 13.54 N ATOM 975 CA ALA A 61 19.527 9.034 14.695 1.00 14.41 C ATOM 976 C ALA A 61 18.528 8.017 15.236 1.00 14.65 C ATOM 977 O ALA A 61 18.003 8.172 16.339 1.00 15.64 O ATOM 978 CB ALA A 61 18.802 10.226 14.088 1.00 14.06 C ATOM 0 H ALA A 61 20.214 8.687 12.747 1.00 13.54 H new ATOM 0 HA ALA A 61 20.137 9.390 15.525 1.00 14.41 H new ATOM 0 HB1 ALA A 61 18.151 10.676 14.837 1.00 14.06 H new ATOM 0 HB2 ALA A 61 19.531 10.963 13.751 1.00 14.06 H new ATOM 0 HB3 ALA A 61 18.203 9.894 13.240 1.00 14.06 H new ATOM 984 N LEU A 62 18.273 6.971 14.448 1.00 13.84 N ATOM 985 CA LEU A 62 17.394 5.884 14.865 1.00 14.21 C ATOM 986 C LEU A 62 18.017 5.104 16.018 1.00 14.97 C ATOM 987 O LEU A 62 17.313 4.466 16.801 1.00 15.72 O ATOM 988 CB LEU A 62 17.131 4.942 13.691 1.00 13.37 C ATOM 989 CG LEU A 62 16.521 5.595 12.450 1.00 12.15 C ATOM 990 CD1 LEU A 62 16.540 4.624 11.281 1.00 11.39 C ATOM 991 CD2 LEU A 62 15.099 6.058 12.735 1.00 12.25 C ATOM 0 H LEU A 62 18.666 6.856 13.514 1.00 13.84 H new ATOM 0 HA LEU A 62 16.450 6.315 15.200 1.00 14.21 H new ATOM 0 HB2 LEU A 62 18.072 4.471 13.407 1.00 13.37 H new ATOM 0 HB3 LEU A 62 16.465 4.147 14.027 1.00 13.37 H new ATOM 0 HG LEU A 62 17.119 6.467 12.187 1.00 12.15 H new ATOM 0 HD11 LEU A 62 16.103 5.102 10.404 1.00 11.39 H new ATOM 0 HD12 LEU A 62 17.569 4.337 11.063 1.00 11.39 H new ATOM 0 HD13 LEU A 62 15.962 3.736 11.536 1.00 11.39 H new ATOM 0 HD21 LEU A 62 14.681 6.520 11.841 1.00 12.25 H new ATOM 0 HD22 LEU A 62 14.488 5.202 13.021 1.00 12.25 H new ATOM 0 HD23 LEU A 62 15.109 6.784 13.548 1.00 12.25 H new ATOM 1055 N LEU A 68 18.493 -3.176 8.990 1.00 12.22 N ATOM 1056 CA LEU A 68 18.097 -3.577 7.644 1.00 11.25 C ATOM 1057 C LEU A 68 16.744 -2.978 7.277 1.00 11.10 C ATOM 1058 O LEU A 68 16.659 -2.133 6.388 1.00 10.12 O ATOM 1059 CB LEU A 68 18.071 -5.112 7.525 1.00 11.69 C ATOM 1060 CG LEU A 68 17.993 -5.695 6.099 1.00 10.84 C ATOM 1061 CD1 LEU A 68 16.591 -5.581 5.517 1.00 10.70 C ATOM 1062 CD2 LEU A 68 19.002 -5.013 5.184 1.00 9.79 C ATOM 0 HA LEU A 68 18.835 -3.193 6.939 1.00 11.25 H new ATOM 0 HB2 LEU A 68 18.967 -5.506 8.005 1.00 11.69 H new ATOM 0 HB3 LEU A 68 17.217 -5.483 8.091 1.00 11.69 H new ATOM 0 HG LEU A 68 18.238 -6.755 6.168 1.00 10.84 H new ATOM 0 HD11 LEU A 68 16.579 -6.003 4.512 1.00 10.70 H new ATOM 0 HD12 LEU A 68 15.890 -6.127 6.148 1.00 10.70 H new ATOM 0 HD13 LEU A 68 16.299 -4.532 5.474 1.00 10.70 H new ATOM 0 HD21 LEU A 68 18.931 -5.438 4.183 1.00 9.79 H new ATOM 0 HD22 LEU A 68 18.790 -3.945 5.140 1.00 9.79 H new ATOM 0 HD23 LEU A 68 20.008 -5.167 5.573 1.00 9.79 H new ATOM 1074 N GLU A 69 15.689 -3.377 7.980 1.00 12.16 N ATOM 1075 CA GLU A 69 14.350 -2.910 7.639 1.00 12.26 C ATOM 1076 C GLU A 69 14.204 -1.448 8.005 1.00 11.96 C ATOM 1077 O GLU A 69 13.407 -0.716 7.415 1.00 11.57 O ATOM 1078 CB GLU A 69 13.271 -3.748 8.334 1.00 13.61 C ATOM 1079 CG GLU A 69 13.360 -3.748 9.854 1.00 14.60 C ATOM 1080 CD GLU A 69 12.241 -4.532 10.506 1.00 15.86 C ATOM 1081 OE1 GLU A 69 12.175 -5.762 10.302 1.00 16.53 O ATOM 1082 OE2 GLU A 69 11.423 -3.925 11.231 1.00 16.24 O ATOM 0 H GLU A 69 15.733 -4.012 8.777 1.00 12.16 H new ATOM 0 HA GLU A 69 14.214 -3.024 6.564 1.00 12.26 H new ATOM 0 HB2 GLU A 69 12.291 -3.374 8.039 1.00 13.61 H new ATOM 0 HB3 GLU A 69 13.340 -4.776 7.978 1.00 13.61 H new ATOM 0 HG2 GLU A 69 14.318 -4.170 10.158 1.00 14.60 H new ATOM 0 HG3 GLU A 69 13.336 -2.720 10.215 1.00 14.60 H new ATOM 1089 N GLU A 70 15.005 -1.031 8.969 1.00 12.26 N ATOM 1090 CA GLU A 70 15.026 0.348 9.405 1.00 12.19 C ATOM 1091 C GLU A 70 15.510 1.238 8.273 1.00 10.92 C ATOM 1092 O GLU A 70 14.819 2.158 7.856 1.00 10.57 O ATOM 1093 CB GLU A 70 15.944 0.498 10.617 1.00 13.06 C ATOM 1094 CG GLU A 70 15.821 -0.639 11.617 1.00 14.21 C ATOM 1095 CD GLU A 70 16.660 -0.415 12.856 1.00 15.02 C ATOM 1096 OE1 GLU A 70 16.195 0.299 13.768 1.00 15.56 O ATOM 1097 OE2 GLU A 70 17.784 -0.951 12.923 1.00 15.23 O ATOM 0 H GLU A 70 15.655 -1.638 9.468 1.00 12.26 H new ATOM 0 HA GLU A 70 14.017 0.648 9.687 1.00 12.19 H new ATOM 0 HB2 GLU A 70 16.977 0.560 10.275 1.00 13.06 H new ATOM 0 HB3 GLU A 70 15.718 1.439 11.119 1.00 13.06 H new ATOM 0 HG2 GLU A 70 14.776 -0.753 11.906 1.00 14.21 H new ATOM 0 HG3 GLU A 70 16.124 -1.572 11.141 1.00 14.21 H new ATOM 1104 N MET A 71 16.684 0.913 7.748 1.00 10.30 N ATOM 1105 CA MET A 71 17.300 1.708 6.692 1.00 9.14 C ATOM 1106 C MET A 71 16.535 1.552 5.384 1.00 8.31 C ATOM 1107 O MET A 71 16.497 2.468 4.565 1.00 7.58 O ATOM 1108 CB MET A 71 18.777 1.320 6.501 1.00 8.85 C ATOM 1109 CG MET A 71 19.000 -0.125 6.083 1.00 8.69 C ATOM 1110 SD MET A 71 20.719 -0.647 6.244 1.00 8.41 S ATOM 1111 CE MET A 71 21.553 0.534 5.182 1.00 8.50 C ATOM 0 H MET A 71 17.231 0.102 8.037 1.00 10.30 H new ATOM 0 HA MET A 71 17.259 2.755 6.993 1.00 9.14 H new ATOM 0 HB2 MET A 71 19.217 1.975 5.749 1.00 8.85 H new ATOM 0 HB3 MET A 71 19.311 1.502 7.434 1.00 8.85 H new ATOM 0 HG2 MET A 71 18.370 -0.775 6.691 1.00 8.69 H new ATOM 0 HG3 MET A 71 18.683 -0.251 5.048 1.00 8.69 H new ATOM 0 HE1 MET A 71 22.071 0.003 4.383 1.00 8.50 H new ATOM 0 HE2 MET A 71 20.820 1.215 4.749 1.00 8.50 H new ATOM 0 HE3 MET A 71 22.275 1.103 5.767 1.00 8.50 H new ATOM 1121 N MET A 72 15.893 0.404 5.212 1.00 8.67 N ATOM 1122 CA MET A 72 15.152 0.132 3.990 1.00 8.32 C ATOM 1123 C MET A 72 13.931 1.030 3.919 1.00 8.63 C ATOM 1124 O MET A 72 13.572 1.538 2.856 1.00 8.10 O ATOM 1125 CB MET A 72 14.720 -1.332 3.928 1.00 9.08 C ATOM 1126 CG MET A 72 14.180 -1.744 2.567 1.00 9.10 C ATOM 1127 SD MET A 72 13.421 -3.378 2.574 1.00 10.28 S ATOM 1128 CE MET A 72 11.934 -3.047 3.515 1.00 11.15 C ATOM 0 H MET A 72 15.871 -0.349 5.899 1.00 8.67 H new ATOM 0 HA MET A 72 15.804 0.335 3.141 1.00 8.32 H new ATOM 0 HB2 MET A 72 15.570 -1.965 4.180 1.00 9.08 H new ATOM 0 HB3 MET A 72 13.955 -1.510 4.684 1.00 9.08 H new ATOM 0 HG2 MET A 72 13.445 -1.010 2.237 1.00 9.10 H new ATOM 0 HG3 MET A 72 14.993 -1.730 1.841 1.00 9.10 H new ATOM 0 HE1 MET A 72 11.198 -3.826 3.318 1.00 11.15 H new ATOM 0 HE2 MET A 72 12.172 -3.033 4.579 1.00 11.15 H new ATOM 0 HE3 MET A 72 11.526 -2.080 3.222 1.00 11.15 H new ATOM 1138 N THR A 73 13.315 1.227 5.068 1.00 9.62 N ATOM 1139 CA THR A 73 12.120 2.037 5.177 1.00 10.09 C ATOM 1140 C THR A 73 12.467 3.519 5.310 1.00 9.53 C ATOM 1141 O THR A 73 11.764 4.386 4.787 1.00 9.49 O ATOM 1142 CB THR A 73 11.295 1.593 6.398 1.00 11.37 C ATOM 1143 OG1 THR A 73 11.009 0.193 6.303 1.00 12.02 O ATOM 1144 CG2 THR A 73 9.994 2.377 6.497 1.00 11.93 C ATOM 0 H THR A 73 13.630 0.829 5.953 1.00 9.62 H new ATOM 0 HA THR A 73 11.536 1.899 4.267 1.00 10.09 H new ATOM 0 HB THR A 73 11.881 1.790 7.296 1.00 11.37 H new ATOM 0 HG1 THR A 73 11.765 -0.320 6.657 1.00 12.02 H new ATOM 0 HG21 THR A 73 9.432 2.042 7.369 1.00 11.93 H new ATOM 0 HG22 THR A 73 10.216 3.440 6.595 1.00 11.93 H new ATOM 0 HG23 THR A 73 9.400 2.212 5.598 1.00 11.93 H new ATOM 1152 N ALA A 74 13.559 3.799 6.005 1.00 9.27 N ATOM 1153 CA ALA A 74 13.947 5.166 6.311 1.00 9.02 C ATOM 1154 C ALA A 74 14.507 5.894 5.092 1.00 8.01 C ATOM 1155 O ALA A 74 14.034 6.971 4.741 1.00 8.00 O ATOM 1156 CB ALA A 74 14.961 5.174 7.442 1.00 9.32 C ATOM 0 H ALA A 74 14.196 3.091 6.370 1.00 9.27 H new ATOM 0 HA ALA A 74 13.050 5.702 6.620 1.00 9.02 H new ATOM 0 HB1 ALA A 74 15.248 6.201 7.666 1.00 9.32 H new ATOM 0 HB2 ALA A 74 14.521 4.718 8.329 1.00 9.32 H new ATOM 0 HB3 ALA A 74 15.843 4.608 7.143 1.00 9.32 H new ATOM 1162 N CYS A 75 15.496 5.293 4.437 1.00 7.31 N ATOM 1163 CA CYS A 75 16.202 5.950 3.337 1.00 6.51 C ATOM 1164 C CYS A 75 15.286 6.247 2.153 1.00 6.63 C ATOM 1165 O CYS A 75 15.565 7.145 1.362 1.00 6.46 O ATOM 1166 CB CYS A 75 17.383 5.099 2.876 1.00 5.86 C ATOM 1167 SG CYS A 75 18.663 4.873 4.127 1.00 6.16 S ATOM 0 H CYS A 75 15.828 4.352 4.647 1.00 7.31 H new ATOM 0 HA CYS A 75 16.565 6.904 3.720 1.00 6.51 H new ATOM 0 HB2 CYS A 75 17.014 4.121 2.569 1.00 5.86 H new ATOM 0 HB3 CYS A 75 17.829 5.562 1.996 1.00 5.86 H new ATOM 0 HG CYS A 75 18.348 3.871 4.894 1.00 6.16 H new ATOM 1173 N GLN A 76 14.198 5.502 2.015 1.00 7.27 N ATOM 1174 CA GLN A 76 13.287 5.740 0.907 1.00 7.76 C ATOM 1175 C GLN A 76 12.357 6.908 1.229 1.00 8.19 C ATOM 1176 O GLN A 76 11.563 6.847 2.166 1.00 8.73 O ATOM 1177 CB GLN A 76 12.482 4.478 0.565 1.00 8.60 C ATOM 1178 CG GLN A 76 11.653 3.935 1.716 1.00 9.19 C ATOM 1179 CD GLN A 76 10.745 2.798 1.297 1.00 10.10 C ATOM 1180 OE1 GLN A 76 9.608 3.022 0.888 1.00 10.49 O ATOM 1181 NE2 GLN A 76 11.229 1.575 1.417 1.00 10.66 N ATOM 0 H GLN A 76 13.929 4.744 2.642 1.00 7.27 H new ATOM 0 HA GLN A 76 13.880 5.998 0.029 1.00 7.76 H new ATOM 0 HB2 GLN A 76 11.820 4.699 -0.272 1.00 8.60 H new ATOM 0 HB3 GLN A 76 13.170 3.702 0.230 1.00 8.60 H new ATOM 0 HG2 GLN A 76 12.319 3.590 2.507 1.00 9.19 H new ATOM 0 HG3 GLN A 76 11.050 4.740 2.136 1.00 9.19 H new ATOM 0 HE21 GLN A 76 12.179 1.434 1.761 1.00 10.66 H new ATOM 0 HE22 GLN A 76 10.653 0.772 1.166 1.00 10.66 H new ATOM 1190 N GLY A 77 12.484 7.980 0.466 1.00 8.13 N ATOM 1191 CA GLY A 77 11.623 9.128 0.657 1.00 8.58 C ATOM 1192 C GLY A 77 12.352 10.312 1.259 1.00 8.30 C ATOM 1193 O GLY A 77 12.204 11.438 0.784 1.00 8.85 O ATOM 0 H GLY A 77 13.169 8.077 -0.284 1.00 8.13 H new ATOM 0 HA2 GLY A 77 11.195 9.420 -0.302 1.00 8.58 H new ATOM 0 HA3 GLY A 77 10.792 8.850 1.306 1.00 8.58 H new ATOM 1197 N VAL A 78 13.136 10.059 2.300 1.00 7.65 N ATOM 1198 CA VAL A 78 13.856 11.121 2.999 1.00 7.69 C ATOM 1199 C VAL A 78 14.831 11.824 2.061 1.00 8.18 C ATOM 1200 O VAL A 78 15.758 11.210 1.538 1.00 8.24 O ATOM 1201 CB VAL A 78 14.615 10.577 4.232 1.00 7.30 C ATOM 1202 CG1 VAL A 78 15.472 11.661 4.870 1.00 7.56 C ATOM 1203 CG2 VAL A 78 13.635 10.017 5.251 1.00 7.23 C ATOM 0 H VAL A 78 13.291 9.126 2.681 1.00 7.65 H new ATOM 0 HA VAL A 78 13.113 11.840 3.344 1.00 7.69 H new ATOM 0 HB VAL A 78 15.274 9.776 3.896 1.00 7.30 H new ATOM 0 HG11 VAL A 78 15.994 11.250 5.734 1.00 7.56 H new ATOM 0 HG12 VAL A 78 16.200 12.023 4.144 1.00 7.56 H new ATOM 0 HG13 VAL A 78 14.836 12.487 5.189 1.00 7.56 H new ATOM 0 HG21 VAL A 78 14.184 9.638 6.113 1.00 7.23 H new ATOM 0 HG22 VAL A 78 12.954 10.805 5.572 1.00 7.23 H new ATOM 0 HG23 VAL A 78 13.064 9.206 4.799 1.00 7.23 H new