USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 652 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 Single : A 7 GLN : amide:sc= -0.0371 X(o=-0.037,f=-0.44) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00644) USER MOD Single : A 13 THR OG1 : rot 151:sc= -1.2 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.86) USER MOD Single : A 27 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.185 K(o=-0.18,f=-1.8!) USER MOD Single : A 31 ASN : amide:sc=-0.00379 X(o=-0.0038,f=0.33) USER MOD Single : A 47 GLN : amide:sc= -0.733 K(o=-0.73,f=-4.2!) USER MOD Single : A 48 TYR OH : rot -168:sc= 0.439 USER MOD Single : A 50 MET CE :methyl -123:sc= -3.06 (180deg=-8.49!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -13.1! C(o=-13!,f=-28!) USER MOD Single : A 65 TYR OH : rot 30:sc= -1.54! USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= -0.496 (180deg=-1.39) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 166:sc= -0.619 (180deg=-1.08) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0.561 K(o=0.56,f=-3.1!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0.0994 USER MOD Single : A 97 THR OG1 : rot 18:sc= 1.08 USER MOD Single : A 100 ASN : amide:sc= -0.0138 X(o=-0.014,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 94 N GLN A 7 -10.780 6.894 6.177 1.00 0.00 N ATOM 95 CA GLN A 7 -10.968 6.570 4.773 1.00 0.00 C ATOM 96 C GLN A 7 -10.554 7.753 3.895 1.00 0.00 C ATOM 97 O GLN A 7 -11.328 8.690 3.705 1.00 0.00 O ATOM 98 CB GLN A 7 -12.416 6.160 4.494 1.00 0.00 C ATOM 99 CG GLN A 7 -12.621 5.850 3.009 1.00 0.00 C ATOM 100 CD GLN A 7 -14.096 5.979 2.622 1.00 0.00 C ATOM 101 OE1 GLN A 7 -14.774 6.932 2.966 1.00 0.00 O ATOM 102 NE2 GLN A 7 -14.552 4.967 1.888 1.00 0.00 N ATOM 0 HA GLN A 7 -10.331 5.720 4.528 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.671 5.284 5.091 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -13.090 6.961 4.799 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.022 6.531 2.405 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.271 4.841 2.793 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.930 4.200 1.635 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.524 4.959 1.578 1.00 0.00 H new ATOM 111 N PHE A 8 -9.335 7.670 3.383 1.00 0.00 N ATOM 112 CA PHE A 8 -8.809 8.722 2.530 1.00 0.00 C ATOM 113 C PHE A 8 -8.779 8.278 1.066 1.00 0.00 C ATOM 114 O PHE A 8 -8.811 7.083 0.776 1.00 0.00 O ATOM 115 CB PHE A 8 -7.378 9.002 2.995 1.00 0.00 C ATOM 116 CG PHE A 8 -7.226 9.100 4.514 1.00 0.00 C ATOM 117 CD1 PHE A 8 -8.292 9.449 5.283 1.00 0.00 C ATOM 118 CD2 PHE A 8 -6.024 8.839 5.095 1.00 0.00 C ATOM 119 CE1 PHE A 8 -8.150 9.541 6.693 1.00 0.00 C ATOM 120 CE2 PHE A 8 -5.882 8.931 6.505 1.00 0.00 C ATOM 121 CZ PHE A 8 -6.948 9.280 7.274 1.00 0.00 C ATOM 0 H PHE A 8 -8.697 6.891 3.542 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.440 9.608 2.600 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.725 8.211 2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.036 9.934 2.545 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.246 9.656 4.822 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.178 8.562 4.484 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.996 9.818 7.304 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.928 8.724 6.966 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.840 9.350 8.346 1.00 0.00 H new ATOM 131 N ILE A 9 -8.719 9.264 0.183 1.00 0.00 N ATOM 132 CA ILE A 9 -8.685 8.989 -1.243 1.00 0.00 C ATOM 133 C ILE A 9 -7.256 8.627 -1.655 1.00 0.00 C ATOM 134 O ILE A 9 -6.360 9.469 -1.606 1.00 0.00 O ATOM 135 CB ILE A 9 -9.272 10.163 -2.029 1.00 0.00 C ATOM 136 CG1 ILE A 9 -10.689 10.488 -1.553 1.00 0.00 C ATOM 137 CG2 ILE A 9 -9.221 9.895 -3.535 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.605 9.269 -1.684 1.00 0.00 C ATOM 0 H ILE A 9 -8.693 10.254 0.428 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.313 8.130 -1.480 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.658 11.043 -1.837 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.661 10.816 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.092 11.315 -2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.644 10.745 -4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.186 9.751 -3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.797 8.998 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.606 9.527 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.650 8.958 -2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.212 8.452 -1.079 1.00 0.00 H new ATOM 150 N PHE A 10 -7.088 7.374 -2.051 1.00 0.00 N ATOM 151 CA PHE A 10 -5.783 6.891 -2.470 1.00 0.00 C ATOM 152 C PHE A 10 -5.916 5.641 -3.343 1.00 0.00 C ATOM 153 O PHE A 10 -6.609 4.693 -2.975 1.00 0.00 O ATOM 154 CB PHE A 10 -5.010 6.531 -1.200 1.00 0.00 C ATOM 155 CG PHE A 10 -3.490 6.517 -1.379 1.00 0.00 C ATOM 156 CD1 PHE A 10 -2.845 7.638 -1.799 1.00 0.00 C ATOM 157 CD2 PHE A 10 -2.785 5.384 -1.119 1.00 0.00 C ATOM 158 CE1 PHE A 10 -1.435 7.626 -1.966 1.00 0.00 C ATOM 159 CE2 PHE A 10 -1.375 5.371 -1.285 1.00 0.00 C ATOM 160 CZ PHE A 10 -0.730 6.492 -1.705 1.00 0.00 C ATOM 0 H PHE A 10 -7.833 6.679 -2.091 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.272 7.657 -3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.267 7.244 -0.416 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.334 5.549 -0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.405 8.538 -2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.298 4.494 -0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.923 8.516 -2.300 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.815 4.471 -1.078 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.343 6.482 -1.831 1.00 0.00 H new ATOM 170 N LYS A 11 -5.242 5.680 -4.483 1.00 0.00 N ATOM 171 CA LYS A 11 -5.276 4.563 -5.411 1.00 0.00 C ATOM 172 C LYS A 11 -3.855 4.263 -5.894 1.00 0.00 C ATOM 173 O LYS A 11 -3.164 5.152 -6.389 1.00 0.00 O ATOM 174 CB LYS A 11 -6.266 4.837 -6.544 1.00 0.00 C ATOM 175 CG LYS A 11 -7.695 4.952 -6.008 1.00 0.00 C ATOM 176 CD LYS A 11 -8.414 6.156 -6.618 1.00 0.00 C ATOM 177 CE LYS A 11 -7.995 7.454 -5.925 1.00 0.00 C ATOM 178 NZ LYS A 11 -8.699 8.611 -6.522 1.00 0.00 N ATOM 0 H LYS A 11 -4.669 6.468 -4.785 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.640 3.665 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.991 5.759 -7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.213 4.035 -7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.247 4.040 -6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.673 5.048 -4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.187 6.218 -7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.492 6.024 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.220 7.394 -4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.917 7.590 -6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.378 9.487 -6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.491 8.657 -7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.724 8.503 -6.383 1.00 0.00 H new ATOM 192 N VAL A 12 -3.462 3.008 -5.734 1.00 0.00 N ATOM 193 CA VAL A 12 -2.137 2.581 -6.148 1.00 0.00 C ATOM 194 C VAL A 12 -2.249 1.760 -7.434 1.00 0.00 C ATOM 195 O VAL A 12 -3.254 1.087 -7.660 1.00 0.00 O ATOM 196 CB VAL A 12 -1.453 1.819 -5.011 1.00 0.00 C ATOM 197 CG1 VAL A 12 -1.951 0.374 -4.942 1.00 0.00 C ATOM 198 CG2 VAL A 12 0.069 1.868 -5.155 1.00 0.00 C ATOM 0 H VAL A 12 -4.038 2.273 -5.323 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.509 3.445 -6.367 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.716 2.309 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.449 -0.145 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.027 0.368 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.732 -0.132 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.530 1.319 -4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.360 1.415 -6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.404 2.905 -5.131 1.00 0.00 H new ATOM 208 N THR A 13 -1.203 1.842 -8.244 1.00 0.00 N ATOM 209 CA THR A 13 -1.172 1.115 -9.502 1.00 0.00 C ATOM 210 C THR A 13 -1.198 -0.393 -9.247 1.00 0.00 C ATOM 211 O THR A 13 -0.610 -0.873 -8.279 1.00 0.00 O ATOM 212 CB THR A 13 0.059 1.578 -10.285 1.00 0.00 C ATOM 213 OG1 THR A 13 1.146 1.334 -9.397 1.00 0.00 O ATOM 214 CG2 THR A 13 0.082 3.093 -10.496 1.00 0.00 C ATOM 0 H THR A 13 -0.371 2.401 -8.053 1.00 0.00 H new ATOM 0 HA THR A 13 -2.056 1.326 -10.103 1.00 0.00 H new ATOM 0 HB THR A 13 0.084 1.077 -11.253 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.957 1.151 -9.915 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.975 3.369 -11.056 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.804 3.396 -11.054 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.091 3.595 -9.529 1.00 0.00 H new ATOM 222 N ASP A 14 -1.886 -1.099 -10.132 1.00 0.00 N ATOM 223 CA ASP A 14 -1.997 -2.543 -10.015 1.00 0.00 C ATOM 224 C ASP A 14 -0.602 -3.144 -9.831 1.00 0.00 C ATOM 225 O ASP A 14 -0.441 -4.148 -9.139 1.00 0.00 O ATOM 226 CB ASP A 14 -2.611 -3.152 -11.277 1.00 0.00 C ATOM 227 CG ASP A 14 -4.114 -3.424 -11.199 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.878 -2.470 -11.464 1.00 0.00 O ATOM 229 OD2 ASP A 14 -4.466 -4.579 -10.875 1.00 0.00 O ATOM 0 H ASP A 14 -2.372 -0.698 -10.934 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.636 -2.764 -9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.422 -2.481 -12.115 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.099 -4.089 -11.496 1.00 0.00 H new ATOM 234 N LYS A 15 0.372 -2.503 -10.461 1.00 0.00 N ATOM 235 CA LYS A 15 1.748 -2.962 -10.375 1.00 0.00 C ATOM 236 C LYS A 15 2.235 -2.831 -8.931 1.00 0.00 C ATOM 237 O LYS A 15 2.877 -3.739 -8.404 1.00 0.00 O ATOM 238 CB LYS A 15 2.623 -2.222 -11.389 1.00 0.00 C ATOM 239 CG LYS A 15 3.509 -3.199 -12.165 1.00 0.00 C ATOM 240 CD LYS A 15 2.664 -4.132 -13.035 1.00 0.00 C ATOM 241 CE LYS A 15 3.406 -4.504 -14.320 1.00 0.00 C ATOM 242 NZ LYS A 15 2.482 -5.138 -15.287 1.00 0.00 N ATOM 0 H LYS A 15 0.235 -1.670 -11.033 1.00 0.00 H new ATOM 0 HA LYS A 15 1.816 -4.017 -10.640 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.992 -1.668 -12.084 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.246 -1.492 -10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.207 -2.644 -12.792 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.106 -3.787 -11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.421 -5.036 -12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.720 -3.648 -13.283 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.849 -3.612 -14.763 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.225 -5.186 -14.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.002 -5.384 -16.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.079 -6.000 -14.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.715 -4.475 -15.520 1.00 0.00 H new ATOM 256 N ALA A 16 1.910 -1.696 -8.330 1.00 0.00 N ATOM 257 CA ALA A 16 2.306 -1.435 -6.957 1.00 0.00 C ATOM 258 C ALA A 16 1.816 -2.576 -6.064 1.00 0.00 C ATOM 259 O ALA A 16 2.561 -3.075 -5.222 1.00 0.00 O ATOM 260 CB ALA A 16 1.761 -0.075 -6.517 1.00 0.00 C ATOM 0 H ALA A 16 1.376 -0.946 -8.769 1.00 0.00 H new ATOM 0 HA ALA A 16 3.392 -1.393 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.058 0.120 -5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.162 0.705 -7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.673 -0.079 -6.586 1.00 0.00 H new ATOM 266 N VAL A 17 0.565 -2.957 -6.278 1.00 0.00 N ATOM 267 CA VAL A 17 -0.034 -4.030 -5.503 1.00 0.00 C ATOM 268 C VAL A 17 0.543 -5.370 -5.963 1.00 0.00 C ATOM 269 O VAL A 17 0.967 -6.182 -5.143 1.00 0.00 O ATOM 270 CB VAL A 17 -1.559 -3.967 -5.612 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.169 -5.370 -5.595 1.00 0.00 C ATOM 272 CG2 VAL A 17 -2.153 -3.097 -4.503 1.00 0.00 C ATOM 0 H VAL A 17 -0.050 -2.541 -6.977 1.00 0.00 H new ATOM 0 HA VAL A 17 0.208 -3.918 -4.446 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.807 -3.506 -6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.254 -5.296 -5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.782 -5.945 -6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.906 -5.870 -4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.238 -3.069 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.890 -3.516 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.755 -2.085 -4.582 1.00 0.00 H new ATOM 282 N GLU A 18 0.541 -5.559 -7.275 1.00 0.00 N ATOM 283 CA GLU A 18 1.060 -6.786 -7.854 1.00 0.00 C ATOM 284 C GLU A 18 2.527 -6.978 -7.466 1.00 0.00 C ATOM 285 O GLU A 18 3.033 -8.099 -7.473 1.00 0.00 O ATOM 286 CB GLU A 18 0.890 -6.789 -9.375 1.00 0.00 C ATOM 287 CG GLU A 18 0.798 -8.218 -9.914 1.00 0.00 C ATOM 288 CD GLU A 18 2.191 -8.811 -10.136 1.00 0.00 C ATOM 289 OE1 GLU A 18 2.903 -8.274 -11.011 1.00 0.00 O ATOM 290 OE2 GLU A 18 2.512 -9.787 -9.425 1.00 0.00 O ATOM 0 H GLU A 18 0.188 -4.883 -7.953 1.00 0.00 H new ATOM 0 HA GLU A 18 0.487 -7.623 -7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.010 -6.236 -9.645 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.731 -6.275 -9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.242 -8.840 -9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.244 -8.222 -10.852 1.00 0.00 H new ATOM 297 N GLU A 19 3.169 -5.867 -7.137 1.00 0.00 N ATOM 298 CA GLU A 19 4.568 -5.898 -6.747 1.00 0.00 C ATOM 299 C GLU A 19 4.727 -6.602 -5.398 1.00 0.00 C ATOM 300 O GLU A 19 5.154 -7.754 -5.341 1.00 0.00 O ATOM 301 CB GLU A 19 5.157 -4.487 -6.703 1.00 0.00 C ATOM 302 CG GLU A 19 6.566 -4.499 -6.105 1.00 0.00 C ATOM 303 CD GLU A 19 7.580 -5.064 -7.102 1.00 0.00 C ATOM 304 OE1 GLU A 19 7.505 -4.654 -8.281 1.00 0.00 O ATOM 305 OE2 GLU A 19 8.406 -5.893 -6.663 1.00 0.00 O ATOM 0 H GLU A 19 2.746 -4.939 -7.133 1.00 0.00 H new ATOM 0 HA GLU A 19 5.122 -6.463 -7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.189 -4.071 -7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.512 -3.838 -6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.854 -3.486 -5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.573 -5.098 -5.194 1.00 0.00 H new ATOM 312 N ILE A 20 4.376 -5.879 -4.345 1.00 0.00 N ATOM 313 CA ILE A 20 4.474 -6.420 -3.000 1.00 0.00 C ATOM 314 C ILE A 20 3.842 -7.813 -2.967 1.00 0.00 C ATOM 315 O ILE A 20 4.171 -8.627 -2.106 1.00 0.00 O ATOM 316 CB ILE A 20 3.870 -5.446 -1.986 1.00 0.00 C ATOM 317 CG1 ILE A 20 4.841 -4.305 -1.676 1.00 0.00 C ATOM 318 CG2 ILE A 20 3.425 -6.180 -0.719 1.00 0.00 C ATOM 319 CD1 ILE A 20 4.791 -3.232 -2.766 1.00 0.00 C ATOM 0 H ILE A 20 4.023 -4.923 -4.396 1.00 0.00 H new ATOM 0 HA ILE A 20 5.519 -6.537 -2.712 1.00 0.00 H new ATOM 0 HB ILE A 20 2.980 -5.000 -2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.591 -3.862 -0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.855 -4.697 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.999 -5.465 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.674 -6.927 -0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.284 -6.671 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.490 -2.432 -2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.065 -3.674 -3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.782 -2.825 -2.830 1.00 0.00 H new ATOM 331 N LYS A 21 2.946 -8.043 -3.915 1.00 0.00 N ATOM 332 CA LYS A 21 2.264 -9.323 -4.005 1.00 0.00 C ATOM 333 C LYS A 21 3.302 -10.447 -4.046 1.00 0.00 C ATOM 334 O LYS A 21 3.104 -11.502 -3.447 1.00 0.00 O ATOM 335 CB LYS A 21 1.300 -9.334 -5.193 1.00 0.00 C ATOM 336 CG LYS A 21 -0.144 -9.135 -4.728 1.00 0.00 C ATOM 337 CD LYS A 21 -1.126 -9.349 -5.882 1.00 0.00 C ATOM 338 CE LYS A 21 -2.536 -9.627 -5.357 1.00 0.00 C ATOM 339 NZ LYS A 21 -3.351 -10.300 -6.394 1.00 0.00 N ATOM 0 H LYS A 21 2.676 -7.365 -4.628 1.00 0.00 H new ATOM 0 HA LYS A 21 1.647 -9.489 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.572 -8.545 -5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.387 -10.280 -5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.369 -9.832 -3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.265 -8.130 -4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.140 -8.466 -6.521 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.792 -10.184 -6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.482 -10.252 -4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.012 -8.692 -5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.305 -10.482 -6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.417 -9.690 -7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.904 -11.202 -6.656 1.00 0.00 H new ATOM 353 N LYS A 22 4.387 -10.181 -4.759 1.00 0.00 N ATOM 354 CA LYS A 22 5.457 -11.156 -4.885 1.00 0.00 C ATOM 355 C LYS A 22 6.262 -11.195 -3.585 1.00 0.00 C ATOM 356 O LYS A 22 6.619 -12.270 -3.104 1.00 0.00 O ATOM 357 CB LYS A 22 6.304 -10.864 -6.125 1.00 0.00 C ATOM 358 CG LYS A 22 5.688 -11.500 -7.373 1.00 0.00 C ATOM 359 CD LYS A 22 6.551 -11.233 -8.608 1.00 0.00 C ATOM 360 CE LYS A 22 5.699 -11.213 -9.878 1.00 0.00 C ATOM 361 NZ LYS A 22 6.288 -12.095 -10.911 1.00 0.00 N ATOM 0 H LYS A 22 4.548 -9.304 -5.255 1.00 0.00 H new ATOM 0 HA LYS A 22 5.047 -12.155 -5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.389 -9.787 -6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.314 -11.247 -5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.583 -12.575 -7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.686 -11.101 -7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.066 -10.279 -8.497 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.319 -12.002 -8.693 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.685 -11.539 -9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.627 -10.194 -10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.697 -12.070 -11.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.247 -11.766 -11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.334 -13.069 -10.550 1.00 0.00 H new ATOM 375 N VAL A 23 6.525 -10.011 -3.053 1.00 0.00 N ATOM 376 CA VAL A 23 7.282 -9.896 -1.818 1.00 0.00 C ATOM 377 C VAL A 23 6.496 -10.553 -0.681 1.00 0.00 C ATOM 378 O VAL A 23 7.081 -11.176 0.203 1.00 0.00 O ATOM 379 CB VAL A 23 7.616 -8.428 -1.544 1.00 0.00 C ATOM 380 CG1 VAL A 23 7.513 -8.112 -0.050 1.00 0.00 C ATOM 381 CG2 VAL A 23 9.001 -8.071 -2.086 1.00 0.00 C ATOM 0 H VAL A 23 6.227 -9.122 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 23 8.233 -10.421 -1.902 1.00 0.00 H new ATOM 0 HB VAL A 23 6.883 -7.814 -2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.755 -7.063 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.498 -8.310 0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.212 -8.739 0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.214 -7.022 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.753 -8.696 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.025 -8.240 -3.163 1.00 0.00 H new ATOM 391 N ALA A 24 5.183 -10.390 -0.741 1.00 0.00 N ATOM 392 CA ALA A 24 4.311 -10.960 0.273 1.00 0.00 C ATOM 393 C ALA A 24 4.259 -12.479 0.099 1.00 0.00 C ATOM 394 O ALA A 24 4.256 -13.220 1.081 1.00 0.00 O ATOM 395 CB ALA A 24 2.927 -10.314 0.178 1.00 0.00 C ATOM 0 H ALA A 24 4.701 -9.872 -1.476 1.00 0.00 H new ATOM 0 HA ALA A 24 4.698 -10.756 1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.273 -10.741 0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.015 -9.239 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.505 -10.501 -0.810 1.00 0.00 H new ATOM 401 N GLN A 25 4.218 -12.898 -1.158 1.00 0.00 N ATOM 402 CA GLN A 25 4.166 -14.315 -1.473 1.00 0.00 C ATOM 403 C GLN A 25 5.471 -14.999 -1.062 1.00 0.00 C ATOM 404 O GLN A 25 5.461 -16.140 -0.603 1.00 0.00 O ATOM 405 CB GLN A 25 3.875 -14.536 -2.958 1.00 0.00 C ATOM 406 CG GLN A 25 2.588 -15.342 -3.151 1.00 0.00 C ATOM 407 CD GLN A 25 2.791 -16.462 -4.173 1.00 0.00 C ATOM 408 OE1 GLN A 25 3.644 -16.398 -5.043 1.00 0.00 O ATOM 409 NE2 GLN A 25 1.962 -17.491 -4.019 1.00 0.00 N ATOM 0 H GLN A 25 4.220 -12.280 -1.970 1.00 0.00 H new ATOM 0 HA GLN A 25 3.350 -14.763 -0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.784 -13.574 -3.462 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.710 -15.061 -3.422 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.274 -15.767 -2.198 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.787 -14.681 -3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.270 -17.481 -3.269 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.018 -18.290 -4.651 1.00 0.00 H new ATOM 418 N GLU A 26 6.564 -14.272 -1.241 1.00 0.00 N ATOM 419 CA GLU A 26 7.875 -14.794 -0.895 1.00 0.00 C ATOM 420 C GLU A 26 8.032 -14.870 0.626 1.00 0.00 C ATOM 421 O GLU A 26 9.010 -15.423 1.126 1.00 0.00 O ATOM 422 CB GLU A 26 8.986 -13.946 -1.518 1.00 0.00 C ATOM 423 CG GLU A 26 10.076 -14.831 -2.125 1.00 0.00 C ATOM 424 CD GLU A 26 11.424 -14.585 -1.443 1.00 0.00 C ATOM 425 OE1 GLU A 26 11.685 -15.276 -0.434 1.00 0.00 O ATOM 426 OE2 GLU A 26 12.163 -13.712 -1.947 1.00 0.00 O ATOM 0 H GLU A 26 6.569 -13.326 -1.621 1.00 0.00 H new ATOM 0 HA GLU A 26 7.961 -15.802 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.566 -13.300 -2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.421 -13.296 -0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.798 -15.880 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.162 -14.628 -3.192 1.00 0.00 H new ATOM 433 N ASN A 27 7.052 -14.308 1.318 1.00 0.00 N ATOM 434 CA ASN A 27 7.069 -14.305 2.771 1.00 0.00 C ATOM 435 C ASN A 27 5.941 -15.198 3.291 1.00 0.00 C ATOM 436 O ASN A 27 5.638 -15.191 4.483 1.00 0.00 O ATOM 437 CB ASN A 27 6.847 -12.895 3.321 1.00 0.00 C ATOM 438 CG ASN A 27 8.180 -12.184 3.562 1.00 0.00 C ATOM 439 OD1 ASN A 27 8.890 -12.446 4.519 1.00 0.00 O ATOM 440 ND2 ASN A 27 8.480 -11.272 2.642 1.00 0.00 N ATOM 0 H ASN A 27 6.241 -13.852 0.900 1.00 0.00 H new ATOM 0 HA ASN A 27 8.042 -14.671 3.098 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.245 -12.318 2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.286 -12.949 4.254 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.349 -10.743 2.713 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.841 -11.102 1.865 1.00 0.00 H new ATOM 447 N ASN A 28 5.350 -15.947 2.372 1.00 0.00 N ATOM 448 CA ASN A 28 4.263 -16.845 2.723 1.00 0.00 C ATOM 449 C ASN A 28 3.166 -16.054 3.438 1.00 0.00 C ATOM 450 O ASN A 28 2.496 -16.578 4.327 1.00 0.00 O ATOM 451 CB ASN A 28 4.742 -17.948 3.668 1.00 0.00 C ATOM 452 CG ASN A 28 4.042 -19.274 3.363 1.00 0.00 C ATOM 453 OD1 ASN A 28 3.614 -19.538 2.251 1.00 0.00 O ATOM 454 ND2 ASN A 28 3.949 -20.089 4.409 1.00 0.00 N ATOM 0 H ASN A 28 5.604 -15.950 1.384 1.00 0.00 H new ATOM 0 HA ASN A 28 3.888 -17.296 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.821 -18.072 3.571 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.546 -17.658 4.700 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.498 -20.998 4.309 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.329 -19.805 5.312 1.00 0.00 H new ATOM 461 N ILE A 29 3.015 -14.804 3.023 1.00 0.00 N ATOM 462 CA ILE A 29 2.011 -13.936 3.613 1.00 0.00 C ATOM 463 C ILE A 29 0.783 -13.891 2.702 1.00 0.00 C ATOM 464 O ILE A 29 0.906 -13.999 1.483 1.00 0.00 O ATOM 465 CB ILE A 29 2.603 -12.558 3.914 1.00 0.00 C ATOM 466 CG1 ILE A 29 3.640 -12.640 5.036 1.00 0.00 C ATOM 467 CG2 ILE A 29 1.502 -11.543 4.225 1.00 0.00 C ATOM 468 CD1 ILE A 29 4.333 -11.292 5.243 1.00 0.00 C ATOM 0 H ILE A 29 3.572 -14.372 2.285 1.00 0.00 H new ATOM 0 HA ILE A 29 1.682 -14.333 4.573 1.00 0.00 H new ATOM 0 HB ILE A 29 3.121 -12.207 3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.155 -12.949 5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.382 -13.401 4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.951 -10.572 4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.834 -11.456 3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.935 -11.876 5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.065 -11.379 6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.837 -10.997 4.323 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.591 -10.538 5.508 1.00 0.00 H new ATOM 480 N GLU A 30 -0.374 -13.732 3.328 1.00 0.00 N ATOM 481 CA GLU A 30 -1.624 -13.672 2.589 1.00 0.00 C ATOM 482 C GLU A 30 -2.416 -12.425 2.987 1.00 0.00 C ATOM 483 O GLU A 30 -3.564 -12.258 2.576 1.00 0.00 O ATOM 484 CB GLU A 30 -2.451 -14.940 2.807 1.00 0.00 C ATOM 485 CG GLU A 30 -2.659 -15.692 1.490 1.00 0.00 C ATOM 486 CD GLU A 30 -3.450 -16.982 1.714 1.00 0.00 C ATOM 487 OE1 GLU A 30 -2.797 -18.000 2.031 1.00 0.00 O ATOM 488 OE2 GLU A 30 -4.689 -16.922 1.564 1.00 0.00 O ATOM 0 H GLU A 30 -0.472 -13.643 4.339 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.393 -13.608 1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.948 -15.588 3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.418 -14.679 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.189 -15.054 0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.692 -15.927 1.045 1.00 0.00 H new ATOM 495 N ASN A 31 -1.773 -11.583 3.782 1.00 0.00 N ATOM 496 CA ASN A 31 -2.403 -10.356 4.240 1.00 0.00 C ATOM 497 C ASN A 31 -1.328 -9.295 4.483 1.00 0.00 C ATOM 498 O ASN A 31 -1.097 -8.891 5.622 1.00 0.00 O ATOM 499 CB ASN A 31 -3.153 -10.580 5.554 1.00 0.00 C ATOM 500 CG ASN A 31 -2.477 -11.666 6.393 1.00 0.00 C ATOM 501 OD1 ASN A 31 -1.379 -11.502 6.900 1.00 0.00 O ATOM 502 ND2 ASN A 31 -3.191 -12.782 6.511 1.00 0.00 N ATOM 0 H ASN A 31 -0.822 -11.726 4.121 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.107 -10.032 3.474 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.189 -9.649 6.119 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.184 -10.866 5.344 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.826 -13.566 7.052 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.104 -12.854 6.061 1.00 0.00 H new ATOM 509 N PRO A 32 -0.683 -8.864 3.367 1.00 0.00 N ATOM 510 CA PRO A 32 0.362 -7.857 3.448 1.00 0.00 C ATOM 511 C PRO A 32 -0.233 -6.467 3.684 1.00 0.00 C ATOM 512 O PRO A 32 -1.284 -6.137 3.138 1.00 0.00 O ATOM 513 CB PRO A 32 1.115 -7.966 2.132 1.00 0.00 C ATOM 514 CG PRO A 32 0.186 -8.700 1.179 1.00 0.00 C ATOM 515 CD PRO A 32 -0.931 -9.320 2.002 1.00 0.00 C ATOM 0 HA PRO A 32 1.035 -8.015 4.291 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.371 -6.979 1.746 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.051 -8.510 2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.222 -8.012 0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.730 -9.470 0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.910 -8.997 1.648 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.913 -10.408 1.938 1.00 0.00 H new ATOM 523 N ILE A 33 0.466 -5.691 4.499 1.00 0.00 N ATOM 524 CA ILE A 33 0.021 -4.344 4.814 1.00 0.00 C ATOM 525 C ILE A 33 1.137 -3.352 4.482 1.00 0.00 C ATOM 526 O ILE A 33 2.050 -3.149 5.281 1.00 0.00 O ATOM 527 CB ILE A 33 -0.461 -4.265 6.263 1.00 0.00 C ATOM 528 CG1 ILE A 33 -1.814 -4.961 6.430 1.00 0.00 C ATOM 529 CG2 ILE A 33 -0.499 -2.815 6.750 1.00 0.00 C ATOM 530 CD1 ILE A 33 -2.169 -5.121 7.909 1.00 0.00 C ATOM 0 H ILE A 33 1.337 -5.969 4.951 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.839 -4.073 4.201 1.00 0.00 H new ATOM 0 HB ILE A 33 0.254 -4.797 6.890 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.589 -4.383 5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.785 -5.940 5.951 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.845 -2.787 7.783 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.501 -2.385 6.691 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.180 -2.239 6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.135 -5.618 8.000 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.405 -5.720 8.404 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.221 -4.139 8.379 1.00 0.00 H new ATOM 542 N LEU A 34 1.028 -2.760 3.302 1.00 0.00 N ATOM 543 CA LEU A 34 2.017 -1.793 2.855 1.00 0.00 C ATOM 544 C LEU A 34 1.575 -0.389 3.270 1.00 0.00 C ATOM 545 O LEU A 34 0.438 0.008 3.018 1.00 0.00 O ATOM 546 CB LEU A 34 2.268 -1.940 1.353 1.00 0.00 C ATOM 547 CG LEU A 34 2.394 -3.373 0.830 1.00 0.00 C ATOM 548 CD1 LEU A 34 3.376 -4.182 1.681 1.00 0.00 C ATOM 549 CD2 LEU A 34 1.023 -4.046 0.741 1.00 0.00 C ATOM 0 H LEU A 34 0.270 -2.931 2.641 1.00 0.00 H new ATOM 0 HA LEU A 34 2.977 -1.980 3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.454 -1.450 0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.182 -1.402 1.103 1.00 0.00 H new ATOM 0 HG LEU A 34 2.800 -3.334 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.448 -5.196 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.358 -3.711 1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.022 -4.216 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.141 -5.063 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.566 -4.074 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.384 -3.481 0.062 1.00 0.00 H new ATOM 561 N ARG A 35 2.497 0.325 3.899 1.00 0.00 N ATOM 562 CA ARG A 35 2.217 1.677 4.352 1.00 0.00 C ATOM 563 C ARG A 35 2.982 2.691 3.499 1.00 0.00 C ATOM 564 O ARG A 35 4.172 2.518 3.239 1.00 0.00 O ATOM 565 CB ARG A 35 2.607 1.859 5.820 1.00 0.00 C ATOM 566 CG ARG A 35 2.649 3.341 6.197 1.00 0.00 C ATOM 567 CD ARG A 35 2.316 3.540 7.677 1.00 0.00 C ATOM 568 NE ARG A 35 3.500 4.057 8.397 1.00 0.00 N ATOM 569 CZ ARG A 35 4.523 3.294 8.807 1.00 0.00 C ATOM 570 NH1 ARG A 35 4.512 1.976 8.570 1.00 0.00 N ATOM 571 NH2 ARG A 35 5.557 3.850 9.454 1.00 0.00 N ATOM 0 H ARG A 35 3.439 -0.007 4.106 1.00 0.00 H new ATOM 0 HA ARG A 35 1.145 1.845 4.250 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.892 1.338 6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.582 1.407 6.000 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.639 3.746 5.986 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.940 3.896 5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.484 4.237 7.781 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.997 2.595 8.117 1.00 0.00 H new ATOM 0 HE ARG A 35 3.541 5.057 8.594 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.725 1.553 8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.290 1.395 8.882 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.565 4.854 9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.335 3.269 9.766 1.00 0.00 H new ATOM 585 N ILE A 36 2.267 3.728 3.086 1.00 0.00 N ATOM 586 CA ILE A 36 2.864 4.770 2.268 1.00 0.00 C ATOM 587 C ILE A 36 3.468 5.843 3.177 1.00 0.00 C ATOM 588 O ILE A 36 2.741 6.602 3.816 1.00 0.00 O ATOM 589 CB ILE A 36 1.843 5.316 1.267 1.00 0.00 C ATOM 590 CG1 ILE A 36 1.493 4.264 0.213 1.00 0.00 C ATOM 591 CG2 ILE A 36 2.337 6.619 0.635 1.00 0.00 C ATOM 592 CD1 ILE A 36 0.403 3.319 0.722 1.00 0.00 C ATOM 0 H ILE A 36 1.280 3.869 3.303 1.00 0.00 H new ATOM 0 HA ILE A 36 3.679 4.364 1.668 1.00 0.00 H new ATOM 0 HB ILE A 36 0.925 5.549 1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.156 4.756 -0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.384 3.692 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.593 6.985 -0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.495 7.364 1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.276 6.437 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.173 2.581 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.753 2.810 1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.495 3.891 0.956 1.00 0.00 H new ATOM 604 N ARG A 37 4.792 5.871 3.206 1.00 0.00 N ATOM 605 CA ARG A 37 5.502 6.838 4.025 1.00 0.00 C ATOM 606 C ARG A 37 6.439 7.683 3.159 1.00 0.00 C ATOM 607 O ARG A 37 6.841 7.258 2.077 1.00 0.00 O ATOM 608 CB ARG A 37 6.318 6.142 5.116 1.00 0.00 C ATOM 609 CG ARG A 37 6.457 7.034 6.351 1.00 0.00 C ATOM 610 CD ARG A 37 7.912 7.100 6.820 1.00 0.00 C ATOM 611 NE ARG A 37 8.199 8.433 7.395 1.00 0.00 N ATOM 612 CZ ARG A 37 9.381 8.788 7.916 1.00 0.00 C ATOM 613 NH1 ARG A 37 10.394 7.911 7.938 1.00 0.00 N ATOM 614 NH2 ARG A 37 9.551 10.020 8.415 1.00 0.00 N ATOM 0 H ARG A 37 5.392 5.239 2.675 1.00 0.00 H new ATOM 0 HA ARG A 37 4.759 7.481 4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.836 5.204 5.393 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.307 5.891 4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.100 8.038 6.121 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.829 6.649 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.098 6.326 7.565 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.582 6.904 5.983 1.00 0.00 H new ATOM 0 HE ARG A 37 7.450 9.125 7.395 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.265 6.973 7.558 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.294 8.181 8.335 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.780 10.688 8.398 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.451 10.290 8.812 1.00 0.00 H new ATOM 628 N VAL A 38 6.758 8.864 3.667 1.00 0.00 N ATOM 629 CA VAL A 38 7.640 9.772 2.953 1.00 0.00 C ATOM 630 C VAL A 38 9.093 9.353 3.184 1.00 0.00 C ATOM 631 O VAL A 38 9.488 9.070 4.314 1.00 0.00 O ATOM 632 CB VAL A 38 7.359 11.215 3.377 1.00 0.00 C ATOM 633 CG1 VAL A 38 8.207 12.199 2.568 1.00 0.00 C ATOM 634 CG2 VAL A 38 5.870 11.543 3.252 1.00 0.00 C ATOM 0 H VAL A 38 6.422 9.213 4.564 1.00 0.00 H new ATOM 0 HA VAL A 38 7.454 9.720 1.880 1.00 0.00 H new ATOM 0 HB VAL A 38 7.637 11.316 4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.988 13.217 2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.264 11.987 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.974 12.095 1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.698 12.574 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.555 11.416 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.295 10.873 3.891 1.00 0.00 H new ATOM 644 N VAL A 39 9.848 9.326 2.096 1.00 0.00 N ATOM 645 CA VAL A 39 11.249 8.947 2.167 1.00 0.00 C ATOM 646 C VAL A 39 12.105 10.056 1.552 1.00 0.00 C ATOM 647 O VAL A 39 12.443 10.001 0.370 1.00 0.00 O ATOM 648 CB VAL A 39 11.457 7.588 1.494 1.00 0.00 C ATOM 649 CG1 VAL A 39 12.781 6.957 1.931 1.00 0.00 C ATOM 650 CG2 VAL A 39 10.282 6.650 1.778 1.00 0.00 C ATOM 0 H VAL A 39 9.516 9.560 1.160 1.00 0.00 H new ATOM 0 HA VAL A 39 11.562 8.833 3.205 1.00 0.00 H new ATOM 0 HB VAL A 39 11.503 7.751 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.904 5.992 1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.606 7.614 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 39 12.777 6.815 3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.455 5.692 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 39 10.190 6.497 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.362 7.092 1.395 1.00 0.00 H new ATOM 660 N PRO A 40 12.439 11.062 2.403 1.00 0.00 N ATOM 661 CA PRO A 40 13.249 12.183 1.955 1.00 0.00 C ATOM 662 C PRO A 40 14.716 11.774 1.808 1.00 0.00 C ATOM 663 O PRO A 40 15.561 12.596 1.455 1.00 0.00 O ATOM 664 CB PRO A 40 13.037 13.265 3.001 1.00 0.00 C ATOM 665 CG PRO A 40 12.490 12.555 4.230 1.00 0.00 C ATOM 666 CD PRO A 40 12.056 11.161 3.808 1.00 0.00 C ATOM 0 HA PRO A 40 12.961 12.541 0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.972 13.776 3.229 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.339 14.022 2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.251 12.499 5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.648 13.107 4.647 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.548 10.395 4.407 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.982 11.025 3.936 1.00 0.00 H new ATOM 737 N GLN A 47 10.944 9.285 -2.817 1.00 0.00 N ATOM 738 CA GLN A 47 9.683 8.652 -3.163 1.00 0.00 C ATOM 739 C GLN A 47 9.177 7.804 -1.995 1.00 0.00 C ATOM 740 O GLN A 47 9.939 7.472 -1.089 1.00 0.00 O ATOM 741 CB GLN A 47 9.821 7.810 -4.433 1.00 0.00 C ATOM 742 CG GLN A 47 10.258 8.673 -5.618 1.00 0.00 C ATOM 743 CD GLN A 47 9.131 9.610 -6.059 1.00 0.00 C ATOM 744 OE1 GLN A 47 8.067 9.666 -5.464 1.00 0.00 O ATOM 745 NE2 GLN A 47 9.423 10.340 -7.132 1.00 0.00 N ATOM 0 HA GLN A 47 8.950 9.434 -3.364 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.549 7.015 -4.269 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.870 7.329 -4.660 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.135 9.258 -5.342 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.550 8.033 -6.450 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.333 10.244 -7.582 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.737 10.996 -7.505 1.00 0.00 H new ATOM 754 N TYR A 48 7.894 7.477 -2.055 1.00 0.00 N ATOM 755 CA TYR A 48 7.277 6.673 -1.013 1.00 0.00 C ATOM 756 C TYR A 48 7.492 5.181 -1.272 1.00 0.00 C ATOM 757 O TYR A 48 6.853 4.601 -2.148 1.00 0.00 O ATOM 758 CB TYR A 48 5.779 6.979 -1.076 1.00 0.00 C ATOM 759 CG TYR A 48 5.451 8.472 -1.147 1.00 0.00 C ATOM 760 CD1 TYR A 48 5.391 9.107 -2.371 1.00 0.00 C ATOM 761 CD2 TYR A 48 5.216 9.183 0.012 1.00 0.00 C ATOM 762 CE1 TYR A 48 5.082 10.512 -2.438 1.00 0.00 C ATOM 763 CE2 TYR A 48 4.907 10.588 -0.055 1.00 0.00 C ATOM 764 CZ TYR A 48 4.856 11.183 -1.277 1.00 0.00 C ATOM 765 OH TYR A 48 4.564 12.510 -1.340 1.00 0.00 O ATOM 0 H TYR A 48 7.265 7.754 -2.809 1.00 0.00 H new ATOM 0 HA TYR A 48 7.711 6.906 -0.041 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.354 6.482 -1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.294 6.552 -0.198 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.576 8.551 -3.278 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.264 8.686 0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.031 11.021 -3.389 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.720 11.156 0.844 1.00 0.00 H new ATOM 0 HH TYR A 48 4.613 12.899 -0.442 1.00 0.00 H new ATOM 775 N ALA A 49 8.395 4.602 -0.494 1.00 0.00 N ATOM 776 CA ALA A 49 8.702 3.188 -0.628 1.00 0.00 C ATOM 777 C ALA A 49 7.642 2.368 0.110 1.00 0.00 C ATOM 778 O ALA A 49 6.956 2.883 0.991 1.00 0.00 O ATOM 779 CB ALA A 49 10.115 2.921 -0.105 1.00 0.00 C ATOM 0 H ALA A 49 8.924 5.086 0.231 1.00 0.00 H new ATOM 0 HA ALA A 49 8.680 2.888 -1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.346 1.860 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.833 3.505 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.175 3.208 0.945 1.00 0.00 H new ATOM 785 N MET A 50 7.542 1.105 -0.278 1.00 0.00 N ATOM 786 CA MET A 50 6.577 0.208 0.336 1.00 0.00 C ATOM 787 C MET A 50 7.215 -0.585 1.478 1.00 0.00 C ATOM 788 O MET A 50 8.418 -0.482 1.714 1.00 0.00 O ATOM 789 CB MET A 50 6.037 -0.760 -0.719 1.00 0.00 C ATOM 790 CG MET A 50 4.580 -0.439 -1.062 1.00 0.00 C ATOM 791 SD MET A 50 4.469 0.179 -2.733 1.00 0.00 S ATOM 792 CE MET A 50 2.825 -0.371 -3.158 1.00 0.00 C ATOM 0 H MET A 50 8.113 0.682 -1.010 1.00 0.00 H new ATOM 0 HA MET A 50 5.762 0.805 0.745 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.648 -0.700 -1.620 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.111 -1.783 -0.351 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.967 -1.334 -0.955 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.188 0.301 -0.365 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.870 -0.998 -4.049 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.408 -0.946 -2.331 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.191 0.494 -3.354 1.00 0.00 H new ATOM 802 N GLY A 51 6.381 -1.359 2.157 1.00 0.00 N ATOM 803 CA GLY A 51 6.848 -2.169 3.268 1.00 0.00 C ATOM 804 C GLY A 51 5.690 -2.929 3.918 1.00 0.00 C ATOM 805 O GLY A 51 4.799 -2.322 4.510 1.00 0.00 O ATOM 0 H GLY A 51 5.384 -1.442 1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.600 -2.876 2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.331 -1.532 4.009 1.00 0.00 H new ATOM 809 N PHE A 52 5.740 -4.246 3.786 1.00 0.00 N ATOM 810 CA PHE A 52 4.706 -5.096 4.353 1.00 0.00 C ATOM 811 C PHE A 52 4.768 -5.088 5.882 1.00 0.00 C ATOM 812 O PHE A 52 5.811 -5.376 6.466 1.00 0.00 O ATOM 813 CB PHE A 52 4.970 -6.517 3.851 1.00 0.00 C ATOM 814 CG PHE A 52 6.065 -7.256 4.622 1.00 0.00 C ATOM 815 CD1 PHE A 52 5.758 -7.923 5.767 1.00 0.00 C ATOM 816 CD2 PHE A 52 7.345 -7.247 4.163 1.00 0.00 C ATOM 817 CE1 PHE A 52 6.774 -8.609 6.483 1.00 0.00 C ATOM 818 CE2 PHE A 52 8.361 -7.933 4.879 1.00 0.00 C ATOM 819 CZ PHE A 52 8.054 -8.600 6.024 1.00 0.00 C ATOM 0 H PHE A 52 6.481 -4.746 3.294 1.00 0.00 H new ATOM 0 HA PHE A 52 3.722 -4.735 4.054 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.045 -7.091 3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.248 -6.474 2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.741 -7.931 6.131 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.589 -6.718 3.254 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.530 -9.138 7.392 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.378 -7.925 4.515 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.827 -9.122 6.568 1.00 0.00 H new ATOM 829 N ASP A 53 3.636 -4.755 6.486 1.00 0.00 N ATOM 830 CA ASP A 53 3.549 -4.706 7.935 1.00 0.00 C ATOM 831 C ASP A 53 2.448 -5.658 8.408 1.00 0.00 C ATOM 832 O ASP A 53 1.742 -6.250 7.592 1.00 0.00 O ATOM 833 CB ASP A 53 3.195 -3.298 8.418 1.00 0.00 C ATOM 834 CG ASP A 53 4.386 -2.455 8.879 1.00 0.00 C ATOM 835 OD1 ASP A 53 5.495 -2.708 8.361 1.00 0.00 O ATOM 836 OD2 ASP A 53 4.160 -1.575 9.738 1.00 0.00 O ATOM 0 H ASP A 53 2.772 -4.517 5.998 1.00 0.00 H new ATOM 0 HA ASP A 53 4.519 -4.994 8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.686 -2.770 7.611 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.486 -3.380 9.242 1.00 0.00 H new ATOM 841 N ASP A 54 2.335 -5.776 9.723 1.00 0.00 N ATOM 842 CA ASP A 54 1.332 -6.645 10.313 1.00 0.00 C ATOM 843 C ASP A 54 0.874 -6.055 11.648 1.00 0.00 C ATOM 844 O ASP A 54 1.084 -6.655 12.701 1.00 0.00 O ATOM 845 CB ASP A 54 1.902 -8.039 10.583 1.00 0.00 C ATOM 846 CG ASP A 54 3.239 -8.058 11.328 1.00 0.00 C ATOM 847 OD1 ASP A 54 3.539 -7.035 11.980 1.00 0.00 O ATOM 848 OD2 ASP A 54 3.930 -9.095 11.227 1.00 0.00 O ATOM 0 H ASP A 54 2.922 -5.284 10.396 1.00 0.00 H new ATOM 0 HA ASP A 54 0.500 -6.724 9.613 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.173 -8.607 11.161 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.026 -8.555 9.631 1.00 0.00 H new ATOM 853 N THR A 55 0.256 -4.886 11.561 1.00 0.00 N ATOM 854 CA THR A 55 -0.234 -4.208 12.749 1.00 0.00 C ATOM 855 C THR A 55 -0.997 -2.940 12.362 1.00 0.00 C ATOM 856 O THR A 55 -0.690 -2.310 11.351 1.00 0.00 O ATOM 857 CB THR A 55 0.960 -3.943 13.668 1.00 0.00 C ATOM 858 OG1 THR A 55 0.386 -3.304 14.806 1.00 0.00 O ATOM 859 CG2 THR A 55 1.918 -2.896 13.096 1.00 0.00 C ATOM 0 H THR A 55 0.083 -4.391 10.686 1.00 0.00 H new ATOM 0 HA THR A 55 -0.949 -4.827 13.292 1.00 0.00 H new ATOM 0 HB THR A 55 1.501 -4.874 13.839 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.090 -3.098 15.455 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.747 -2.746 13.787 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.303 -3.241 12.136 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.387 -1.955 12.956 1.00 0.00 H new ATOM 867 N VAL A 56 -1.978 -2.602 13.188 1.00 0.00 N ATOM 868 CA VAL A 56 -2.787 -1.420 12.945 1.00 0.00 C ATOM 869 C VAL A 56 -2.227 -0.249 13.755 1.00 0.00 C ATOM 870 O VAL A 56 -1.561 -0.453 14.768 1.00 0.00 O ATOM 871 CB VAL A 56 -4.255 -1.718 13.259 1.00 0.00 C ATOM 872 CG1 VAL A 56 -4.850 -0.638 14.165 1.00 0.00 C ATOM 873 CG2 VAL A 56 -5.071 -1.868 11.974 1.00 0.00 C ATOM 0 H VAL A 56 -2.230 -3.126 14.026 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.745 -1.137 11.893 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.299 -2.666 13.795 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.894 -0.873 14.374 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.293 -0.600 15.101 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.788 0.330 13.667 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.110 -2.079 12.226 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.018 -0.944 11.399 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.667 -2.688 11.380 1.00 0.00 H new ATOM 883 N GLU A 57 -2.518 0.952 13.277 1.00 0.00 N ATOM 884 CA GLU A 57 -2.052 2.156 13.944 1.00 0.00 C ATOM 885 C GLU A 57 -3.222 2.875 14.619 1.00 0.00 C ATOM 886 O GLU A 57 -4.380 2.522 14.404 1.00 0.00 O ATOM 887 CB GLU A 57 -1.332 3.082 12.962 1.00 0.00 C ATOM 888 CG GLU A 57 -0.556 2.278 11.917 1.00 0.00 C ATOM 889 CD GLU A 57 0.587 1.495 12.566 1.00 0.00 C ATOM 890 OE1 GLU A 57 1.608 2.142 12.884 1.00 0.00 O ATOM 891 OE2 GLU A 57 0.414 0.268 12.728 1.00 0.00 O ATOM 0 H GLU A 57 -3.071 1.117 12.436 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.335 1.868 14.713 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.058 3.726 12.465 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.648 3.733 13.506 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.231 1.589 11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.156 2.951 11.159 1.00 0.00 H new ATOM 898 N GLU A 58 -2.878 3.870 15.423 1.00 0.00 N ATOM 899 CA GLU A 58 -3.885 4.642 16.132 1.00 0.00 C ATOM 900 C GLU A 58 -4.421 5.762 15.238 1.00 0.00 C ATOM 901 O GLU A 58 -4.667 6.872 15.708 1.00 0.00 O ATOM 902 CB GLU A 58 -3.324 5.204 17.440 1.00 0.00 C ATOM 903 CG GLU A 58 -4.414 5.292 18.510 1.00 0.00 C ATOM 904 CD GLU A 58 -3.959 6.158 19.686 1.00 0.00 C ATOM 905 OE1 GLU A 58 -4.097 7.394 19.568 1.00 0.00 O ATOM 906 OE2 GLU A 58 -3.483 5.564 20.678 1.00 0.00 O ATOM 0 H GLU A 58 -1.916 4.160 15.599 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.712 3.979 16.386 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.512 4.569 17.794 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.902 6.193 17.264 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.322 5.710 18.076 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.662 4.292 18.865 1.00 0.00 H new ATOM 913 N GLY A 59 -4.585 5.433 13.965 1.00 0.00 N ATOM 914 CA GLY A 59 -5.088 6.397 13.002 1.00 0.00 C ATOM 915 C GLY A 59 -4.470 6.166 11.621 1.00 0.00 C ATOM 916 O GLY A 59 -3.826 7.056 11.068 1.00 0.00 O ATOM 0 H GLY A 59 -4.378 4.512 13.578 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.173 6.319 12.936 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.861 7.408 13.341 1.00 0.00 H new ATOM 920 N ASP A 60 -4.688 4.966 11.105 1.00 0.00 N ATOM 921 CA ASP A 60 -4.161 4.606 9.799 1.00 0.00 C ATOM 922 C ASP A 60 -5.323 4.340 8.840 1.00 0.00 C ATOM 923 O ASP A 60 -6.307 3.703 9.213 1.00 0.00 O ATOM 924 CB ASP A 60 -3.313 3.334 9.879 1.00 0.00 C ATOM 925 CG ASP A 60 -1.900 3.462 9.306 1.00 0.00 C ATOM 926 OD1 ASP A 60 -1.560 4.587 8.881 1.00 0.00 O ATOM 927 OD2 ASP A 60 -1.193 2.432 9.307 1.00 0.00 O ATOM 0 H ASP A 60 -5.222 4.230 11.567 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.542 5.431 9.446 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.239 3.030 10.923 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.832 2.535 9.350 1.00 0.00 H new ATOM 932 N HIS A 61 -5.171 4.842 7.624 1.00 0.00 N ATOM 933 CA HIS A 61 -6.195 4.667 6.608 1.00 0.00 C ATOM 934 C HIS A 61 -6.323 3.183 6.259 1.00 0.00 C ATOM 935 O HIS A 61 -5.355 2.557 5.830 1.00 0.00 O ATOM 936 CB HIS A 61 -5.904 5.541 5.387 1.00 0.00 C ATOM 937 CG HIS A 61 -6.877 5.348 4.248 1.00 0.00 C ATOM 938 ND1 HIS A 61 -8.066 4.654 4.387 1.00 0.00 N ATOM 939 CD2 HIS A 61 -6.824 5.765 2.950 1.00 0.00 C ATOM 940 CE1 HIS A 61 -8.692 4.659 3.219 1.00 0.00 C ATOM 941 NE2 HIS A 61 -7.921 5.348 2.330 1.00 0.00 N ATOM 0 H HIS A 61 -4.354 5.370 7.319 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.158 4.997 6.997 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.919 6.588 5.690 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.896 5.326 5.031 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.025 6.337 2.503 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -9.646 4.198 3.008 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -8.150 5.515 1.350 1.00 0.00 H new ATOM 949 N VAL A 62 -7.526 2.664 6.455 1.00 0.00 N ATOM 950 CA VAL A 62 -7.793 1.265 6.166 1.00 0.00 C ATOM 951 C VAL A 62 -8.383 1.143 4.760 1.00 0.00 C ATOM 952 O VAL A 62 -9.557 1.442 4.547 1.00 0.00 O ATOM 953 CB VAL A 62 -8.698 0.671 7.248 1.00 0.00 C ATOM 954 CG1 VAL A 62 -9.962 0.067 6.634 1.00 0.00 C ATOM 955 CG2 VAL A 62 -7.945 -0.366 8.084 1.00 0.00 C ATOM 0 H VAL A 62 -8.327 3.187 6.810 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.868 0.688 6.182 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.002 1.480 7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.588 -0.348 7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.515 0.842 6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.686 -0.724 5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.611 -0.772 8.845 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.598 -1.172 7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.089 0.107 8.565 1.00 0.00 H new ATOM 965 N PHE A 63 -7.542 0.703 3.836 1.00 0.00 N ATOM 966 CA PHE A 63 -7.966 0.538 2.456 1.00 0.00 C ATOM 967 C PHE A 63 -7.853 -0.924 2.019 1.00 0.00 C ATOM 968 O PHE A 63 -6.750 -1.456 1.897 1.00 0.00 O ATOM 969 CB PHE A 63 -7.029 1.389 1.596 1.00 0.00 C ATOM 970 CG PHE A 63 -7.742 2.475 0.788 1.00 0.00 C ATOM 971 CD1 PHE A 63 -9.006 2.266 0.333 1.00 0.00 C ATOM 972 CD2 PHE A 63 -7.111 3.651 0.526 1.00 0.00 C ATOM 973 CE1 PHE A 63 -9.668 3.275 -0.416 1.00 0.00 C ATOM 974 CE2 PHE A 63 -7.772 4.660 -0.223 1.00 0.00 C ATOM 975 CZ PHE A 63 -9.037 4.451 -0.678 1.00 0.00 C ATOM 0 H PHE A 63 -6.569 0.456 4.016 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.007 0.842 2.347 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.287 1.859 2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.488 0.736 0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.507 1.332 0.541 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.107 3.817 0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.672 3.108 -0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.271 5.594 -0.432 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.540 5.219 -1.247 1.00 0.00 H new ATOM 985 N GLU A 64 -9.008 -1.533 1.795 1.00 0.00 N ATOM 986 CA GLU A 64 -9.053 -2.923 1.374 1.00 0.00 C ATOM 987 C GLU A 64 -8.747 -3.035 -0.121 1.00 0.00 C ATOM 988 O GLU A 64 -9.413 -2.407 -0.943 1.00 0.00 O ATOM 989 CB GLU A 64 -10.407 -3.553 1.706 1.00 0.00 C ATOM 990 CG GLU A 64 -10.703 -3.459 3.204 1.00 0.00 C ATOM 991 CD GLU A 64 -12.187 -3.706 3.486 1.00 0.00 C ATOM 992 OE1 GLU A 64 -13.002 -2.908 2.974 1.00 0.00 O ATOM 993 OE2 GLU A 64 -12.471 -4.686 4.207 1.00 0.00 O ATOM 0 H GLU A 64 -9.921 -1.089 1.897 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.289 -3.474 1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.194 -3.050 1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.412 -4.598 1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.100 -4.189 3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.418 -2.474 3.574 1.00 0.00 H new ATOM 1000 N TYR A 65 -7.740 -3.839 -0.428 1.00 0.00 N ATOM 1001 CA TYR A 65 -7.339 -4.042 -1.810 1.00 0.00 C ATOM 1002 C TYR A 65 -7.649 -5.468 -2.268 1.00 0.00 C ATOM 1003 O TYR A 65 -8.396 -6.187 -1.606 1.00 0.00 O ATOM 1004 CB TYR A 65 -5.824 -3.826 -1.845 1.00 0.00 C ATOM 1005 CG TYR A 65 -5.405 -2.436 -2.327 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -5.279 -1.400 -1.423 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -5.153 -2.217 -3.666 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -4.885 -0.092 -1.877 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -4.758 -0.908 -4.120 1.00 0.00 C ATOM 1010 CZ TYR A 65 -4.643 0.089 -3.203 1.00 0.00 C ATOM 1011 OH TYR A 65 -4.271 1.325 -3.632 1.00 0.00 O ATOM 0 H TYR A 65 -7.190 -4.358 0.256 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.875 -3.359 -2.469 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.421 -3.990 -0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.375 -4.576 -2.497 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.476 -1.571 -0.375 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.252 -3.027 -4.374 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.784 0.727 -1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.558 -0.723 -5.165 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.782 1.786 -2.918 1.00 0.00 H new ATOM 1021 N ASP A 66 -7.060 -5.835 -3.396 1.00 0.00 N ATOM 1022 CA ASP A 66 -7.264 -7.162 -3.950 1.00 0.00 C ATOM 1023 C ASP A 66 -6.627 -8.200 -3.024 1.00 0.00 C ATOM 1024 O ASP A 66 -5.618 -8.812 -3.371 1.00 0.00 O ATOM 1025 CB ASP A 66 -6.608 -7.292 -5.326 1.00 0.00 C ATOM 1026 CG ASP A 66 -7.147 -8.430 -6.195 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -7.913 -9.250 -5.645 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -6.780 -8.454 -7.390 1.00 0.00 O ATOM 0 H ASP A 66 -6.441 -5.236 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.337 -7.326 -4.045 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.737 -6.352 -5.863 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.536 -7.436 -5.189 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.243 -8.367 -1.862 1.00 0.00 N ATOM 1034 CA GLY A 67 -6.750 -9.320 -0.883 1.00 0.00 C ATOM 1035 C GLY A 67 -5.672 -8.690 0.001 1.00 0.00 C ATOM 1036 O GLY A 67 -5.396 -9.180 1.095 1.00 0.00 O ATOM 0 H GLY A 67 -8.080 -7.858 -1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.575 -9.670 -0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.343 -10.193 -1.393 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.092 -7.612 -0.506 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.051 -6.909 0.224 1.00 0.00 C ATOM 1042 C VAL A 68 -4.668 -5.724 0.970 1.00 0.00 C ATOM 1043 O VAL A 68 -5.837 -5.398 0.767 1.00 0.00 O ATOM 1044 CB VAL A 68 -2.929 -6.496 -0.731 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -1.725 -5.951 0.040 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.521 -7.661 -1.634 1.00 0.00 C ATOM 0 H VAL A 68 -5.323 -7.208 -1.414 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.600 -7.563 0.970 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.308 -5.696 -1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.942 -5.665 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.028 -5.079 0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.345 -6.720 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.722 -7.341 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.170 -8.491 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.380 -7.983 -2.223 1.00 0.00 H new ATOM 1056 N LYS A 69 -3.855 -5.110 1.817 1.00 0.00 N ATOM 1057 CA LYS A 69 -4.306 -3.968 2.594 1.00 0.00 C ATOM 1058 C LYS A 69 -3.208 -2.903 2.612 1.00 0.00 C ATOM 1059 O LYS A 69 -2.023 -3.227 2.536 1.00 0.00 O ATOM 1060 CB LYS A 69 -4.755 -4.412 3.988 1.00 0.00 C ATOM 1061 CG LYS A 69 -5.229 -3.217 4.817 1.00 0.00 C ATOM 1062 CD LYS A 69 -5.343 -3.588 6.297 1.00 0.00 C ATOM 1063 CE LYS A 69 -5.553 -2.342 7.160 1.00 0.00 C ATOM 1064 NZ LYS A 69 -4.481 -2.227 8.174 1.00 0.00 N ATOM 0 H LYS A 69 -2.886 -5.382 1.982 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.183 -3.515 2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.561 -5.141 3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.930 -4.909 4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.531 -2.388 4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.196 -2.875 4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.175 -4.278 6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.440 -4.108 6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.562 -1.453 6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.524 -2.393 7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.441 -1.250 8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.680 -2.874 8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.568 -2.477 7.744 1.00 0.00 H new ATOM 1078 N VAL A 70 -3.640 -1.655 2.713 1.00 0.00 N ATOM 1079 CA VAL A 70 -2.708 -0.540 2.742 1.00 0.00 C ATOM 1080 C VAL A 70 -3.067 0.388 3.904 1.00 0.00 C ATOM 1081 O VAL A 70 -4.225 0.460 4.311 1.00 0.00 O ATOM 1082 CB VAL A 70 -2.701 0.171 1.388 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -1.521 1.139 1.283 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -2.687 -0.838 0.238 1.00 0.00 C ATOM 0 H VAL A 70 -4.623 -1.391 2.776 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.692 -0.895 2.912 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.619 0.753 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.540 1.631 0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.594 1.889 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.587 0.588 1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.682 -0.306 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.795 -1.460 0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.574 -1.469 0.296 1.00 0.00 H new ATOM 1094 N VAL A 71 -2.051 1.076 4.404 1.00 0.00 N ATOM 1095 CA VAL A 71 -2.245 1.998 5.511 1.00 0.00 C ATOM 1096 C VAL A 71 -1.323 3.206 5.331 1.00 0.00 C ATOM 1097 O VAL A 71 -0.105 3.084 5.446 1.00 0.00 O ATOM 1098 CB VAL A 71 -2.026 1.272 6.840 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -2.698 -0.102 6.832 1.00 0.00 C ATOM 1100 CG2 VAL A 71 -0.535 1.152 7.161 1.00 0.00 C ATOM 0 H VAL A 71 -1.092 1.014 4.063 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.269 2.370 5.523 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.490 1.867 7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.527 -0.596 7.788 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.770 0.018 6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.277 -0.708 6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.408 0.632 8.111 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.037 0.591 6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.097 2.147 7.231 1.00 0.00 H new ATOM 1110 N ILE A 72 -1.940 4.344 5.051 1.00 0.00 N ATOM 1111 CA ILE A 72 -1.191 5.573 4.854 1.00 0.00 C ATOM 1112 C ILE A 72 -1.107 6.333 6.179 1.00 0.00 C ATOM 1113 O ILE A 72 -1.922 6.117 7.075 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.796 6.392 3.712 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -2.155 5.497 2.525 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -0.865 7.537 3.306 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -3.635 5.633 2.163 1.00 0.00 C ATOM 0 H ILE A 72 -2.951 4.441 4.956 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.168 5.351 4.549 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.723 6.841 4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.541 5.764 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.930 4.458 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.318 8.104 2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.703 8.195 4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.090 7.129 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.863 4.986 1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.247 5.342 3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.851 6.668 1.898 1.00 0.00 H new ATOM 1129 N ASP A 73 -0.116 7.208 6.262 1.00 0.00 N ATOM 1130 CA ASP A 73 0.085 8.001 7.463 1.00 0.00 C ATOM 1131 C ASP A 73 -0.759 9.275 7.374 1.00 0.00 C ATOM 1132 O ASP A 73 -1.156 9.685 6.285 1.00 0.00 O ATOM 1133 CB ASP A 73 1.550 8.413 7.612 1.00 0.00 C ATOM 1134 CG ASP A 73 2.565 7.298 7.356 1.00 0.00 C ATOM 1135 OD1 ASP A 73 2.430 6.638 6.304 1.00 0.00 O ATOM 1136 OD2 ASP A 73 3.454 7.130 8.220 1.00 0.00 O ATOM 0 H ASP A 73 0.557 7.386 5.517 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.207 7.395 8.321 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.753 9.233 6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.703 8.798 8.620 1.00 0.00 H new ATOM 1141 N PRO A 74 -1.013 9.880 8.565 1.00 0.00 N ATOM 1142 CA PRO A 74 -1.802 11.098 8.632 1.00 0.00 C ATOM 1143 C PRO A 74 -0.990 12.304 8.154 1.00 0.00 C ATOM 1144 O PRO A 74 -1.557 13.310 7.731 1.00 0.00 O ATOM 1145 CB PRO A 74 -2.230 11.210 10.086 1.00 0.00 C ATOM 1146 CG PRO A 74 -1.288 10.311 10.869 1.00 0.00 C ATOM 1147 CD PRO A 74 -0.559 9.422 9.874 1.00 0.00 C ATOM 0 HA PRO A 74 -2.672 11.072 7.975 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.165 12.241 10.434 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.266 10.895 10.213 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.577 10.908 11.440 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.844 9.706 11.585 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.522 9.519 9.974 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.801 8.371 10.031 1.00 0.00 H new ATOM 1155 N PHE A 75 0.325 12.162 8.236 1.00 0.00 N ATOM 1156 CA PHE A 75 1.220 13.226 7.817 1.00 0.00 C ATOM 1157 C PHE A 75 1.561 13.103 6.330 1.00 0.00 C ATOM 1158 O PHE A 75 1.926 14.087 5.690 1.00 0.00 O ATOM 1159 CB PHE A 75 2.504 13.079 8.636 1.00 0.00 C ATOM 1160 CG PHE A 75 2.491 13.850 9.958 1.00 0.00 C ATOM 1161 CD1 PHE A 75 1.799 13.362 11.022 1.00 0.00 C ATOM 1162 CD2 PHE A 75 3.170 15.023 10.068 1.00 0.00 C ATOM 1163 CE1 PHE A 75 1.787 14.077 12.249 1.00 0.00 C ATOM 1164 CE2 PHE A 75 3.158 15.738 11.295 1.00 0.00 C ATOM 1165 CZ PHE A 75 2.466 15.250 12.359 1.00 0.00 C ATOM 0 H PHE A 75 0.792 11.326 8.587 1.00 0.00 H new ATOM 0 HA PHE A 75 0.745 14.194 7.974 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.670 12.022 8.845 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.347 13.422 8.036 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.259 12.431 10.934 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.718 15.411 9.222 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.239 13.689 13.095 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.698 16.669 11.383 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.456 15.794 13.292 1.00 0.00 H new ATOM 1175 N SER A 76 1.429 11.885 5.825 1.00 0.00 N ATOM 1176 CA SER A 76 1.719 11.620 4.426 1.00 0.00 C ATOM 1177 C SER A 76 0.460 11.831 3.582 1.00 0.00 C ATOM 1178 O SER A 76 0.543 11.991 2.366 1.00 0.00 O ATOM 1179 CB SER A 76 2.255 10.200 4.234 1.00 0.00 C ATOM 1180 OG SER A 76 2.578 9.931 2.872 1.00 0.00 O ATOM 0 H SER A 76 1.125 11.071 6.359 1.00 0.00 H new ATOM 0 HA SER A 76 2.490 12.317 4.098 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.142 10.061 4.851 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.511 9.482 4.579 1.00 0.00 H new ATOM 0 HG SER A 76 2.918 9.015 2.791 1.00 0.00 H new ATOM 1186 N MET A 77 -0.677 11.823 4.262 1.00 0.00 N ATOM 1187 CA MET A 77 -1.952 12.011 3.590 1.00 0.00 C ATOM 1188 C MET A 77 -1.966 13.320 2.798 1.00 0.00 C ATOM 1189 O MET A 77 -2.333 13.336 1.624 1.00 0.00 O ATOM 1190 CB MET A 77 -3.078 12.029 4.626 1.00 0.00 C ATOM 1191 CG MET A 77 -4.212 11.086 4.220 1.00 0.00 C ATOM 1192 SD MET A 77 -5.206 11.840 2.943 1.00 0.00 S ATOM 1193 CE MET A 77 -4.787 10.789 1.563 1.00 0.00 C ATOM 0 H MET A 77 -0.742 11.689 5.271 1.00 0.00 H new ATOM 0 HA MET A 77 -2.100 11.185 2.894 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.686 11.734 5.599 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.464 13.043 4.732 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.801 10.142 3.862 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.832 10.855 5.086 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.495 10.955 0.751 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.780 11.024 1.219 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.830 9.745 1.874 1.00 0.00 H new ATOM 1203 N PRO A 78 -1.552 14.415 3.490 1.00 0.00 N ATOM 1204 CA PRO A 78 -1.514 15.726 2.864 1.00 0.00 C ATOM 1205 C PRO A 78 -0.328 15.841 1.904 1.00 0.00 C ATOM 1206 O PRO A 78 -0.113 16.890 1.299 1.00 0.00 O ATOM 1207 CB PRO A 78 -1.441 16.712 4.018 1.00 0.00 C ATOM 1208 CG PRO A 78 -0.974 15.910 5.222 1.00 0.00 C ATOM 1209 CD PRO A 78 -1.110 14.435 4.881 1.00 0.00 C ATOM 0 HA PRO A 78 -2.390 15.922 2.245 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.747 17.523 3.796 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.414 17.167 4.205 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.061 16.152 5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.572 16.156 6.100 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.162 13.911 5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.832 13.943 5.533 1.00 0.00 H new ATOM 1217 N TYR A 79 0.412 14.747 1.794 1.00 0.00 N ATOM 1218 CA TYR A 79 1.570 14.712 0.918 1.00 0.00 C ATOM 1219 C TYR A 79 1.285 13.881 -0.335 1.00 0.00 C ATOM 1220 O TYR A 79 1.933 14.063 -1.365 1.00 0.00 O ATOM 1221 CB TYR A 79 2.685 14.036 1.720 1.00 0.00 C ATOM 1222 CG TYR A 79 4.081 14.595 1.438 1.00 0.00 C ATOM 1223 CD1 TYR A 79 4.347 15.209 0.231 1.00 0.00 C ATOM 1224 CD2 TYR A 79 5.074 14.485 2.390 1.00 0.00 C ATOM 1225 CE1 TYR A 79 5.661 15.734 -0.035 1.00 0.00 C ATOM 1226 CE2 TYR A 79 6.388 15.011 2.124 1.00 0.00 C ATOM 1227 CZ TYR A 79 6.617 15.609 0.925 1.00 0.00 C ATOM 1228 OH TYR A 79 7.858 16.106 0.674 1.00 0.00 O ATOM 0 H TYR A 79 0.232 13.878 2.297 1.00 0.00 H new ATOM 0 HA TYR A 79 1.837 15.718 0.595 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.470 14.143 2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.681 12.968 1.500 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.570 15.296 -0.514 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.866 14.004 3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.883 16.216 -0.976 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.174 14.932 2.861 1.00 0.00 H new ATOM 0 HH TYR A 79 8.437 15.947 1.448 1.00 0.00 H new ATOM 1238 N VAL A 80 0.315 12.988 -0.206 1.00 0.00 N ATOM 1239 CA VAL A 80 -0.064 12.130 -1.316 1.00 0.00 C ATOM 1240 C VAL A 80 -1.589 12.085 -1.422 1.00 0.00 C ATOM 1241 O VAL A 80 -2.170 11.019 -1.622 1.00 0.00 O ATOM 1242 CB VAL A 80 0.565 10.746 -1.145 1.00 0.00 C ATOM 1243 CG1 VAL A 80 2.092 10.834 -1.137 1.00 0.00 C ATOM 1244 CG2 VAL A 80 0.049 10.062 0.123 1.00 0.00 C ATOM 0 H VAL A 80 -0.220 12.840 0.650 1.00 0.00 H new ATOM 0 HA VAL A 80 0.315 12.531 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 80 0.269 10.137 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.513 9.836 -1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.437 11.260 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.416 11.469 -0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.512 9.080 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.300 10.670 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.033 9.948 0.060 1.00 0.00 H new ATOM 1254 N ASN A 81 -2.195 13.255 -1.283 1.00 0.00 N ATOM 1255 CA ASN A 81 -3.642 13.362 -1.361 1.00 0.00 C ATOM 1256 C ASN A 81 -4.066 13.430 -2.830 1.00 0.00 C ATOM 1257 O ASN A 81 -3.384 14.043 -3.649 1.00 0.00 O ATOM 1258 CB ASN A 81 -4.139 14.632 -0.667 1.00 0.00 C ATOM 1259 CG ASN A 81 -3.311 15.847 -1.089 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -2.141 15.976 -0.767 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -3.981 16.728 -1.826 1.00 0.00 N ATOM 0 H ASN A 81 -1.710 14.137 -1.117 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.071 12.490 -0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.188 14.799 -0.913 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.082 14.506 0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.517 17.573 -2.158 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.959 16.558 -2.060 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.190 12.791 -3.119 1.00 0.00 N ATOM 1269 CA GLY A 82 -5.713 12.771 -4.474 1.00 0.00 C ATOM 1270 C GLY A 82 -4.602 12.482 -5.486 1.00 0.00 C ATOM 1271 O GLY A 82 -4.391 13.256 -6.418 1.00 0.00 O ATOM 0 H GLY A 82 -5.753 12.283 -2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.491 12.012 -4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.178 13.730 -4.703 1.00 0.00 H new ATOM 1275 N ALA A 83 -3.921 11.367 -5.268 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.837 10.967 -6.149 1.00 0.00 C ATOM 1277 C ALA A 83 -2.665 9.448 -6.082 1.00 0.00 C ATOM 1278 O ALA A 83 -3.254 8.790 -5.225 1.00 0.00 O ATOM 1279 CB ALA A 83 -1.561 11.716 -5.761 1.00 0.00 C ATOM 0 H ALA A 83 -4.099 10.728 -4.494 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.066 11.227 -7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.748 11.416 -6.422 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.727 12.789 -5.854 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.298 11.477 -4.731 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.856 8.935 -6.997 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.600 7.506 -7.053 1.00 0.00 C ATOM 1287 C GLU A 84 -0.095 7.235 -6.997 1.00 0.00 C ATOM 1288 O GLU A 84 0.704 8.054 -7.448 1.00 0.00 O ATOM 1289 CB GLU A 84 -2.223 6.885 -8.305 1.00 0.00 C ATOM 1290 CG GLU A 84 -1.504 7.362 -9.569 1.00 0.00 C ATOM 1291 CD GLU A 84 -2.500 7.625 -10.700 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -3.501 8.321 -10.424 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -2.238 7.124 -11.815 1.00 0.00 O ATOM 0 H GLU A 84 -1.369 9.484 -7.706 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.067 7.039 -6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.171 5.798 -8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.279 7.151 -8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.946 8.273 -9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.780 6.611 -9.885 1.00 0.00 H new ATOM 1300 N LEU A 85 0.246 6.082 -6.439 1.00 0.00 N ATOM 1301 CA LEU A 85 1.640 5.693 -6.318 1.00 0.00 C ATOM 1302 C LEU A 85 1.941 4.572 -7.316 1.00 0.00 C ATOM 1303 O LEU A 85 1.486 3.443 -7.142 1.00 0.00 O ATOM 1304 CB LEU A 85 1.972 5.331 -4.869 1.00 0.00 C ATOM 1305 CG LEU A 85 2.915 4.141 -4.674 1.00 0.00 C ATOM 1306 CD1 LEU A 85 4.285 4.421 -5.293 1.00 0.00 C ATOM 1307 CD2 LEU A 85 3.019 3.762 -3.195 1.00 0.00 C ATOM 0 H LEU A 85 -0.420 5.405 -6.066 1.00 0.00 H new ATOM 0 HA LEU A 85 2.292 6.529 -6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.416 6.204 -4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.040 5.120 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 85 2.496 3.282 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.936 3.560 -5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.171 4.605 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.726 5.298 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.695 2.914 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.404 4.610 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.032 3.492 -2.818 1.00 0.00 H new ATOM 1319 N ASP A 86 2.704 4.925 -8.340 1.00 0.00 N ATOM 1320 CA ASP A 86 3.071 3.963 -9.366 1.00 0.00 C ATOM 1321 C ASP A 86 4.440 3.366 -9.033 1.00 0.00 C ATOM 1322 O ASP A 86 5.466 4.020 -9.212 1.00 0.00 O ATOM 1323 CB ASP A 86 3.167 4.631 -10.739 1.00 0.00 C ATOM 1324 CG ASP A 86 3.201 3.668 -11.926 1.00 0.00 C ATOM 1325 OD1 ASP A 86 3.620 2.511 -11.707 1.00 0.00 O ATOM 1326 OD2 ASP A 86 2.807 4.110 -13.027 1.00 0.00 O ATOM 0 H ASP A 86 3.078 5.863 -8.481 1.00 0.00 H new ATOM 0 HA ASP A 86 2.302 3.191 -9.394 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.317 5.303 -10.860 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.066 5.247 -10.764 1.00 0.00 H new ATOM 1331 N TYR A 87 4.411 2.130 -8.556 1.00 0.00 N ATOM 1332 CA TYR A 87 5.637 1.437 -8.197 1.00 0.00 C ATOM 1333 C TYR A 87 6.257 0.753 -9.417 1.00 0.00 C ATOM 1334 O TYR A 87 5.641 -0.124 -10.021 1.00 0.00 O ATOM 1335 CB TYR A 87 5.235 0.370 -7.177 1.00 0.00 C ATOM 1336 CG TYR A 87 6.210 0.230 -6.007 1.00 0.00 C ATOM 1337 CD1 TYR A 87 6.181 1.142 -4.972 1.00 0.00 C ATOM 1338 CD2 TYR A 87 7.118 -0.809 -5.986 1.00 0.00 C ATOM 1339 CE1 TYR A 87 7.098 1.010 -3.870 1.00 0.00 C ATOM 1340 CE2 TYR A 87 8.035 -0.942 -4.884 1.00 0.00 C ATOM 1341 CZ TYR A 87 7.981 -0.026 -3.880 1.00 0.00 C ATOM 1342 OH TYR A 87 8.847 -0.150 -2.840 1.00 0.00 O ATOM 0 H TYR A 87 3.558 1.591 -8.410 1.00 0.00 H new ATOM 0 HA TYR A 87 6.372 2.137 -7.801 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.246 0.610 -6.786 1.00 0.00 H new ATOM 0 HB3 TYR A 87 5.152 -0.591 -7.685 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.470 1.955 -4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 87 7.141 -1.523 -6.796 1.00 0.00 H new ATOM 0 HE1 TYR A 87 7.086 1.717 -3.054 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.750 -1.751 -4.855 1.00 0.00 H new ATOM 0 HH TYR A 87 9.417 -0.935 -2.981 1.00 0.00 H new ATOM 1352 N VAL A 88 7.468 1.179 -9.742 1.00 0.00 N ATOM 1353 CA VAL A 88 8.179 0.618 -10.879 1.00 0.00 C ATOM 1354 C VAL A 88 8.697 -0.775 -10.514 1.00 0.00 C ATOM 1355 O VAL A 88 9.032 -1.033 -9.359 1.00 0.00 O ATOM 1356 CB VAL A 88 9.289 1.571 -11.325 1.00 0.00 C ATOM 1357 CG1 VAL A 88 10.314 0.848 -12.200 1.00 0.00 C ATOM 1358 CG2 VAL A 88 8.709 2.788 -12.049 1.00 0.00 C ATOM 0 H VAL A 88 7.976 1.906 -9.238 1.00 0.00 H new ATOM 0 HA VAL A 88 7.508 0.503 -11.730 1.00 0.00 H new ATOM 0 HB VAL A 88 9.804 1.927 -10.432 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.092 1.549 -12.503 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.762 0.030 -11.635 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.819 0.449 -13.086 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.519 3.449 -12.355 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.157 2.459 -12.929 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.037 3.324 -11.379 1.00 0.00 H new ATOM 1447 N GLY A 95 10.903 -0.320 -7.870 1.00 0.00 N ATOM 1448 CA GLY A 95 11.272 1.073 -7.685 1.00 0.00 C ATOM 1449 C GLY A 95 10.076 1.897 -7.202 1.00 0.00 C ATOM 1450 O GLY A 95 9.043 1.341 -6.831 1.00 0.00 O ATOM 0 HA2 GLY A 95 12.084 1.145 -6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.645 1.482 -8.624 1.00 0.00 H new ATOM 1454 N PHE A 96 10.256 3.210 -7.221 1.00 0.00 N ATOM 1455 CA PHE A 96 9.206 4.116 -6.789 1.00 0.00 C ATOM 1456 C PHE A 96 8.957 5.205 -7.835 1.00 0.00 C ATOM 1457 O PHE A 96 9.901 5.749 -8.406 1.00 0.00 O ATOM 1458 CB PHE A 96 9.684 4.771 -5.492 1.00 0.00 C ATOM 1459 CG PHE A 96 10.637 3.900 -4.670 1.00 0.00 C ATOM 1460 CD1 PHE A 96 10.150 2.865 -3.935 1.00 0.00 C ATOM 1461 CD2 PHE A 96 11.972 4.161 -4.675 1.00 0.00 C ATOM 1462 CE1 PHE A 96 11.034 2.057 -3.173 1.00 0.00 C ATOM 1463 CE2 PHE A 96 12.856 3.353 -3.913 1.00 0.00 C ATOM 1464 CZ PHE A 96 12.369 2.318 -3.178 1.00 0.00 C ATOM 0 H PHE A 96 11.114 3.668 -7.529 1.00 0.00 H new ATOM 0 HA PHE A 96 8.276 3.566 -6.647 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.183 5.710 -5.733 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.816 5.019 -4.881 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.090 2.658 -3.931 1.00 0.00 H new ATOM 0 HD2 PHE A 96 12.359 4.983 -5.259 1.00 0.00 H new ATOM 0 HE1 PHE A 96 10.647 1.235 -2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 96 13.916 3.560 -3.917 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.042 1.703 -2.598 1.00 0.00 H new ATOM 1474 N THR A 97 7.682 5.490 -8.054 1.00 0.00 N ATOM 1475 CA THR A 97 7.298 6.505 -9.021 1.00 0.00 C ATOM 1476 C THR A 97 5.899 7.039 -8.705 1.00 0.00 C ATOM 1477 O THR A 97 4.980 6.265 -8.441 1.00 0.00 O ATOM 1478 CB THR A 97 7.414 5.894 -10.419 1.00 0.00 C ATOM 1479 OG1 THR A 97 8.781 6.090 -10.770 1.00 0.00 O ATOM 1480 CG2 THR A 97 6.641 6.690 -11.472 1.00 0.00 C ATOM 0 H THR A 97 6.902 5.036 -7.579 1.00 0.00 H new ATOM 0 HA THR A 97 7.961 7.369 -8.973 1.00 0.00 H new ATOM 0 HB THR A 97 7.047 4.868 -10.399 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.302 6.280 -9.962 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.757 6.214 -12.446 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.585 6.717 -11.205 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.030 7.707 -11.517 1.00 0.00 H new ATOM 1488 N ILE A 98 5.782 8.358 -8.745 1.00 0.00 N ATOM 1489 CA ILE A 98 4.511 9.005 -8.466 1.00 0.00 C ATOM 1490 C ILE A 98 3.975 9.640 -9.751 1.00 0.00 C ATOM 1491 O ILE A 98 4.692 10.372 -10.432 1.00 0.00 O ATOM 1492 CB ILE A 98 4.654 9.992 -7.306 1.00 0.00 C ATOM 1493 CG1 ILE A 98 5.065 9.271 -6.021 1.00 0.00 C ATOM 1494 CG2 ILE A 98 3.375 10.810 -7.121 1.00 0.00 C ATOM 1495 CD1 ILE A 98 3.919 8.412 -5.484 1.00 0.00 C ATOM 0 H ILE A 98 6.546 8.996 -8.966 1.00 0.00 H new ATOM 0 HA ILE A 98 3.774 8.271 -8.140 1.00 0.00 H new ATOM 0 HB ILE A 98 5.451 10.694 -7.551 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.935 8.643 -6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.360 10.002 -5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.504 11.504 -6.290 1.00 0.00 H new ATOM 0 HG22 ILE A 98 3.166 11.370 -8.032 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.542 10.140 -6.908 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.238 7.910 -4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 98 3.059 9.046 -5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.643 7.667 -6.230 1.00 0.00 H new ATOM 1507 N ARG A 99 2.719 9.337 -10.044 1.00 0.00 N ATOM 1508 CA ARG A 99 2.078 9.869 -11.234 1.00 0.00 C ATOM 1509 C ARG A 99 1.027 10.913 -10.851 1.00 0.00 C ATOM 1510 O ARG A 99 0.044 10.593 -10.184 1.00 0.00 O ATOM 1511 CB ARG A 99 1.410 8.756 -12.044 1.00 0.00 C ATOM 1512 CG ARG A 99 2.409 8.095 -12.996 1.00 0.00 C ATOM 1513 CD ARG A 99 1.721 7.644 -14.286 1.00 0.00 C ATOM 1514 NE ARG A 99 2.411 8.228 -15.458 1.00 0.00 N ATOM 1515 CZ ARG A 99 2.270 9.500 -15.857 1.00 0.00 C ATOM 1516 NH1 ARG A 99 1.463 10.328 -15.180 1.00 0.00 N ATOM 1517 NH2 ARG A 99 2.935 9.943 -16.932 1.00 0.00 N ATOM 0 H ARG A 99 2.128 8.729 -9.477 1.00 0.00 H new ATOM 0 HA ARG A 99 2.851 10.335 -11.846 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.997 8.007 -11.368 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.576 9.166 -12.614 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.210 8.796 -13.233 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.870 7.237 -12.507 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.731 6.556 -14.352 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.676 7.953 -14.278 1.00 0.00 H new ATOM 0 HE ARG A 99 3.033 7.625 -15.996 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.956 9.990 -14.362 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.355 11.296 -15.483 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.549 9.312 -17.447 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.827 10.911 -17.235 1.00 0.00 H new ATOM 1531 N ASN A 100 1.271 12.140 -11.288 1.00 0.00 N ATOM 1532 CA ASN A 100 0.358 13.232 -10.998 1.00 0.00 C ATOM 1533 C ASN A 100 -0.176 13.807 -12.312 1.00 0.00 C ATOM 1534 O ASN A 100 0.594 14.296 -13.138 1.00 0.00 O ATOM 1535 CB ASN A 100 1.068 14.358 -10.244 1.00 0.00 C ATOM 1536 CG ASN A 100 0.663 14.370 -8.769 1.00 0.00 C ATOM 1537 OD1 ASN A 100 0.675 13.358 -8.087 1.00 0.00 O ATOM 1538 ND2 ASN A 100 0.304 15.568 -8.316 1.00 0.00 N ATOM 0 H ASN A 100 2.088 12.402 -11.840 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.452 12.840 -10.382 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.147 14.232 -10.327 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.823 15.317 -10.700 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.016 15.680 -7.344 1.00 0.00 H new ATOM 0 HD22 ASN A 100 0.317 16.374 -8.941 1.00 0.00 H new ATOM 1545 N PRO A 101 -1.524 13.726 -12.469 1.00 0.00 N ATOM 1546 CA PRO A 101 -2.170 14.232 -13.669 1.00 0.00 C ATOM 1547 C PRO A 101 -2.228 15.761 -13.657 1.00 0.00 C ATOM 1548 O PRO A 101 -2.990 16.350 -12.891 1.00 0.00 O ATOM 1549 CB PRO A 101 -3.545 13.585 -13.678 1.00 0.00 C ATOM 1550 CG PRO A 101 -3.792 13.111 -12.255 1.00 0.00 C ATOM 1551 CD PRO A 101 -2.467 13.153 -11.513 1.00 0.00 C ATOM 0 HA PRO A 101 -1.622 13.984 -14.578 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.309 14.296 -13.991 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.580 12.751 -14.379 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -4.526 13.749 -11.762 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.198 12.099 -12.255 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.537 13.763 -10.612 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.157 12.156 -11.200 1.00 0.00 H new