USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=11 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 Set 1.1: A 77 MET CE :methyl 132:sc= -2.01 (180deg=-2.94) USER MOD Set 1.2: A 81 ASN : amide:sc= -1.09 K(o=-3.1,f=-9!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 155:sc= -0.664 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= -0.122 K(o=-0.12,f=-0.74) USER MOD Single : A 27 ASN : amide:sc=-0.00898 X(o=-0.009,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.619 K(o=-0.62,f=-2.4!) USER MOD Single : A 31 ASN : amide:sc= -0.484 K(o=-0.48,f=-3!) USER MOD Single : A 47 GLN : amide:sc= -3! C(o=-3!,f=-13!) USER MOD Single : A 48 TYR OH : rot 30:sc= -0.32 USER MOD Single : A 50 MET CE :methyl 147:sc= -8.16 (180deg=-13.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0123 USER MOD Single : A 61 HIS : no HE2:sc= -0.011 K(o=-0.011,f=-1.2) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.921 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 167:sc= -1.4 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 6:sc= -0.0981 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc=-0.00265 K(o=-0.0027,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 94 N GLN A 7 -10.351 5.031 5.936 1.00 0.00 N ATOM 95 CA GLN A 7 -10.465 5.004 4.488 1.00 0.00 C ATOM 96 C GLN A 7 -9.777 6.227 3.878 1.00 0.00 C ATOM 97 O GLN A 7 -10.232 7.355 4.059 1.00 0.00 O ATOM 98 CB GLN A 7 -11.931 4.928 4.055 1.00 0.00 C ATOM 99 CG GLN A 7 -12.182 3.695 3.186 1.00 0.00 C ATOM 100 CD GLN A 7 -13.504 3.020 3.560 1.00 0.00 C ATOM 101 OE1 GLN A 7 -14.499 3.114 2.861 1.00 0.00 O ATOM 102 NE2 GLN A 7 -13.458 2.336 4.700 1.00 0.00 N ATOM 0 HA GLN A 7 -9.964 4.108 4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.573 4.894 4.935 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.198 5.828 3.501 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.202 3.984 2.135 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.362 2.988 3.307 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.592 2.298 5.237 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -14.289 1.850 5.037 1.00 0.00 H new ATOM 111 N PHE A 8 -8.689 5.962 3.169 1.00 0.00 N ATOM 112 CA PHE A 8 -7.933 7.026 2.532 1.00 0.00 C ATOM 113 C PHE A 8 -8.147 7.020 1.017 1.00 0.00 C ATOM 114 O PHE A 8 -8.220 5.958 0.401 1.00 0.00 O ATOM 115 CB PHE A 8 -6.455 6.764 2.827 1.00 0.00 C ATOM 116 CG PHE A 8 -5.916 5.473 2.207 1.00 0.00 C ATOM 117 CD1 PHE A 8 -5.796 5.366 0.857 1.00 0.00 C ATOM 118 CD2 PHE A 8 -5.558 4.432 3.006 1.00 0.00 C ATOM 119 CE1 PHE A 8 -5.296 4.168 0.281 1.00 0.00 C ATOM 120 CE2 PHE A 8 -5.058 3.234 2.431 1.00 0.00 C ATOM 121 CZ PHE A 8 -4.937 3.128 1.080 1.00 0.00 C ATOM 0 H PHE A 8 -8.313 5.025 3.022 1.00 0.00 H new ATOM 0 HA PHE A 8 -8.259 7.993 2.914 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.867 7.605 2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.312 6.724 3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.081 6.192 0.222 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.654 4.517 4.078 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.201 4.083 -0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.774 2.408 3.066 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.556 2.217 0.642 1.00 0.00 H new ATOM 131 N ILE A 9 -8.242 8.218 0.460 1.00 0.00 N ATOM 132 CA ILE A 9 -8.446 8.364 -0.971 1.00 0.00 C ATOM 133 C ILE A 9 -7.090 8.356 -1.679 1.00 0.00 C ATOM 134 O ILE A 9 -6.332 9.320 -1.588 1.00 0.00 O ATOM 135 CB ILE A 9 -9.287 9.607 -1.268 1.00 0.00 C ATOM 136 CG1 ILE A 9 -10.579 9.604 -0.449 1.00 0.00 C ATOM 137 CG2 ILE A 9 -9.560 9.739 -2.768 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.548 8.534 -0.957 1.00 0.00 C ATOM 0 H ILE A 9 -8.181 9.097 0.974 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.015 7.521 -1.362 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.716 10.485 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.348 9.422 0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.052 10.584 -0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.160 10.631 -2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.614 9.821 -3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.101 8.860 -3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.458 8.553 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.796 8.733 -2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.081 7.552 -0.876 1.00 0.00 H new ATOM 150 N PHE A 10 -6.825 7.256 -2.369 1.00 0.00 N ATOM 151 CA PHE A 10 -5.573 7.109 -3.092 1.00 0.00 C ATOM 152 C PHE A 10 -5.674 6.003 -4.144 1.00 0.00 C ATOM 153 O PHE A 10 -6.457 5.066 -3.992 1.00 0.00 O ATOM 154 CB PHE A 10 -4.506 6.724 -2.065 1.00 0.00 C ATOM 155 CG PHE A 10 -3.074 6.793 -2.600 1.00 0.00 C ATOM 156 CD1 PHE A 10 -2.649 7.902 -3.263 1.00 0.00 C ATOM 157 CD2 PHE A 10 -2.227 5.746 -2.411 1.00 0.00 C ATOM 158 CE1 PHE A 10 -1.320 7.966 -3.759 1.00 0.00 C ATOM 159 CE2 PHE A 10 -0.898 5.811 -2.907 1.00 0.00 C ATOM 160 CZ PHE A 10 -0.473 6.920 -3.571 1.00 0.00 C ATOM 0 H PHE A 10 -7.456 6.458 -2.443 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.328 8.039 -3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.593 7.384 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.703 5.711 -1.713 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.322 8.733 -3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.565 4.866 -1.884 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.982 8.846 -4.286 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.225 4.980 -2.757 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.538 6.969 -3.949 1.00 0.00 H new ATOM 170 N LYS A 11 -4.871 6.148 -5.187 1.00 0.00 N ATOM 171 CA LYS A 11 -4.860 5.172 -6.265 1.00 0.00 C ATOM 172 C LYS A 11 -3.438 4.639 -6.450 1.00 0.00 C ATOM 173 O LYS A 11 -2.478 5.408 -6.447 1.00 0.00 O ATOM 174 CB LYS A 11 -5.463 5.772 -7.537 1.00 0.00 C ATOM 175 CG LYS A 11 -6.975 5.951 -7.395 1.00 0.00 C ATOM 176 CD LYS A 11 -7.430 7.280 -8.002 1.00 0.00 C ATOM 177 CE LYS A 11 -7.034 8.455 -7.106 1.00 0.00 C ATOM 178 NZ LYS A 11 -7.406 9.739 -7.741 1.00 0.00 N ATOM 0 H LYS A 11 -4.223 6.926 -5.309 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.490 4.319 -6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.997 6.735 -7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.248 5.124 -8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.490 5.127 -7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.252 5.915 -6.341 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.985 7.404 -8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.511 7.270 -8.139 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.527 8.365 -6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.960 8.432 -6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.130 10.526 -7.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.916 9.830 -8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.434 9.764 -7.896 1.00 0.00 H new ATOM 192 N VAL A 12 -3.348 3.327 -6.606 1.00 0.00 N ATOM 193 CA VAL A 12 -2.059 2.682 -6.792 1.00 0.00 C ATOM 194 C VAL A 12 -2.153 1.690 -7.954 1.00 0.00 C ATOM 195 O VAL A 12 -3.112 0.926 -8.046 1.00 0.00 O ATOM 196 CB VAL A 12 -1.606 2.030 -5.485 1.00 0.00 C ATOM 197 CG1 VAL A 12 -1.866 0.522 -5.505 1.00 0.00 C ATOM 198 CG2 VAL A 12 -0.132 2.329 -5.204 1.00 0.00 C ATOM 0 H VAL A 12 -4.147 2.692 -6.607 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.298 3.418 -7.053 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.195 2.461 -4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.535 0.083 -4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.932 0.338 -5.635 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.316 0.069 -6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.164 1.854 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.480 1.940 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.012 3.407 -5.125 1.00 0.00 H new ATOM 208 N THR A 13 -1.143 1.735 -8.811 1.00 0.00 N ATOM 209 CA THR A 13 -1.100 0.850 -9.962 1.00 0.00 C ATOM 210 C THR A 13 -1.134 -0.612 -9.513 1.00 0.00 C ATOM 211 O THR A 13 -1.053 -0.901 -8.320 1.00 0.00 O ATOM 212 CB THR A 13 0.141 1.204 -10.784 1.00 0.00 C ATOM 213 OG1 THR A 13 1.211 1.132 -9.846 1.00 0.00 O ATOM 214 CG2 THR A 13 0.143 2.664 -11.242 1.00 0.00 C ATOM 0 H THR A 13 -0.349 2.370 -8.731 1.00 0.00 H new ATOM 0 HA THR A 13 -1.977 0.983 -10.596 1.00 0.00 H new ATOM 0 HB THR A 13 0.198 0.551 -11.655 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.049 0.947 -10.319 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.045 2.862 -11.821 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.734 2.852 -11.861 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.120 3.319 -10.371 1.00 0.00 H new ATOM 222 N ASP A 14 -1.254 -1.496 -10.492 1.00 0.00 N ATOM 223 CA ASP A 14 -1.300 -2.921 -10.213 1.00 0.00 C ATOM 224 C ASP A 14 0.109 -3.417 -9.882 1.00 0.00 C ATOM 225 O ASP A 14 0.272 -4.408 -9.172 1.00 0.00 O ATOM 226 CB ASP A 14 -1.805 -3.705 -11.426 1.00 0.00 C ATOM 227 CG ASP A 14 -3.211 -4.290 -11.278 1.00 0.00 C ATOM 228 OD1 ASP A 14 -3.628 -4.477 -10.115 1.00 0.00 O ATOM 229 OD2 ASP A 14 -3.836 -4.538 -12.332 1.00 0.00 O ATOM 0 H ASP A 14 -1.321 -1.253 -11.480 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.979 -3.078 -9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.791 -3.048 -12.296 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.109 -4.519 -11.629 1.00 0.00 H new ATOM 234 N LYS A 15 1.092 -2.706 -10.414 1.00 0.00 N ATOM 235 CA LYS A 15 2.482 -3.061 -10.185 1.00 0.00 C ATOM 236 C LYS A 15 2.810 -2.891 -8.700 1.00 0.00 C ATOM 237 O LYS A 15 3.418 -3.769 -8.090 1.00 0.00 O ATOM 238 CB LYS A 15 3.400 -2.262 -11.112 1.00 0.00 C ATOM 239 CG LYS A 15 4.488 -3.155 -11.710 1.00 0.00 C ATOM 240 CD LYS A 15 5.520 -2.324 -12.475 1.00 0.00 C ATOM 241 CE LYS A 15 5.754 -2.895 -13.876 1.00 0.00 C ATOM 242 NZ LYS A 15 6.544 -1.949 -14.695 1.00 0.00 N ATOM 0 H LYS A 15 0.953 -1.885 -11.003 1.00 0.00 H new ATOM 0 HA LYS A 15 2.652 -4.109 -10.432 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.812 -1.813 -11.913 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.860 -1.444 -10.557 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.982 -3.714 -10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.036 -3.886 -12.380 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.177 -1.292 -12.551 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.460 -2.307 -11.923 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.278 -3.848 -13.804 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.797 -3.093 -14.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.694 -2.351 -15.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.030 -1.049 -14.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.464 -1.781 -14.241 1.00 0.00 H new ATOM 256 N ALA A 16 2.391 -1.756 -8.160 1.00 0.00 N ATOM 257 CA ALA A 16 2.632 -1.459 -6.759 1.00 0.00 C ATOM 258 C ALA A 16 1.984 -2.542 -5.894 1.00 0.00 C ATOM 259 O ALA A 16 2.665 -3.219 -5.126 1.00 0.00 O ATOM 260 CB ALA A 16 2.104 -0.061 -6.434 1.00 0.00 C ATOM 0 H ALA A 16 1.886 -1.031 -8.669 1.00 0.00 H new ATOM 0 HA ALA A 16 3.701 -1.461 -6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.285 0.161 -5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.617 0.675 -7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.033 -0.021 -6.634 1.00 0.00 H new ATOM 266 N VAL A 17 0.674 -2.672 -6.048 1.00 0.00 N ATOM 267 CA VAL A 17 -0.074 -3.662 -5.291 1.00 0.00 C ATOM 268 C VAL A 17 0.542 -5.044 -5.518 1.00 0.00 C ATOM 269 O VAL A 17 0.792 -5.780 -4.564 1.00 0.00 O ATOM 270 CB VAL A 17 -1.555 -3.599 -5.669 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.179 -4.996 -5.675 1.00 0.00 C ATOM 272 CG2 VAL A 17 -2.320 -2.661 -4.733 1.00 0.00 C ATOM 0 H VAL A 17 0.112 -2.108 -6.686 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.015 -3.451 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.626 -3.196 -6.679 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.232 -4.923 -5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.660 -5.623 -6.400 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.090 -5.438 -4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.370 -2.634 -5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.236 -3.022 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.899 -1.658 -4.800 1.00 0.00 H new ATOM 282 N GLU A 18 0.770 -5.355 -6.786 1.00 0.00 N ATOM 283 CA GLU A 18 1.352 -6.635 -7.149 1.00 0.00 C ATOM 284 C GLU A 18 2.623 -6.890 -6.336 1.00 0.00 C ATOM 285 O GLU A 18 2.771 -7.947 -5.724 1.00 0.00 O ATOM 286 CB GLU A 18 1.639 -6.700 -8.650 1.00 0.00 C ATOM 287 CG GLU A 18 0.379 -7.073 -9.434 1.00 0.00 C ATOM 288 CD GLU A 18 0.558 -6.791 -10.927 1.00 0.00 C ATOM 289 OE1 GLU A 18 1.704 -6.470 -11.311 1.00 0.00 O ATOM 290 OE2 GLU A 18 -0.455 -6.901 -11.651 1.00 0.00 O ATOM 0 H GLU A 18 0.562 -4.742 -7.574 1.00 0.00 H new ATOM 0 HA GLU A 18 0.632 -7.419 -6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.014 -5.736 -8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.422 -7.434 -8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.153 -8.129 -9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.471 -6.507 -9.053 1.00 0.00 H new ATOM 297 N GLU A 19 3.508 -5.905 -6.356 1.00 0.00 N ATOM 298 CA GLU A 19 4.761 -6.009 -5.629 1.00 0.00 C ATOM 299 C GLU A 19 4.513 -6.546 -4.218 1.00 0.00 C ATOM 300 O GLU A 19 5.181 -7.481 -3.778 1.00 0.00 O ATOM 301 CB GLU A 19 5.483 -4.661 -5.583 1.00 0.00 C ATOM 302 CG GLU A 19 6.690 -4.716 -4.644 1.00 0.00 C ATOM 303 CD GLU A 19 7.965 -4.272 -5.363 1.00 0.00 C ATOM 304 OE1 GLU A 19 7.832 -3.466 -6.309 1.00 0.00 O ATOM 305 OE2 GLU A 19 9.044 -4.749 -4.951 1.00 0.00 O ATOM 0 H GLU A 19 3.382 -5.030 -6.865 1.00 0.00 H new ATOM 0 HA GLU A 19 5.406 -6.711 -6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.810 -4.386 -6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.793 -3.886 -5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.513 -4.075 -3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.816 -5.731 -4.267 1.00 0.00 H new ATOM 312 N ILE A 20 3.550 -5.931 -3.546 1.00 0.00 N ATOM 313 CA ILE A 20 3.205 -6.335 -2.194 1.00 0.00 C ATOM 314 C ILE A 20 2.602 -7.741 -2.225 1.00 0.00 C ATOM 315 O ILE A 20 2.908 -8.570 -1.370 1.00 0.00 O ATOM 316 CB ILE A 20 2.299 -5.291 -1.538 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.103 -4.066 -1.099 1.00 0.00 C ATOM 318 CG2 ILE A 20 1.508 -5.902 -0.379 1.00 0.00 C ATOM 319 CD1 ILE A 20 4.062 -3.615 -2.203 1.00 0.00 C ATOM 0 H ILE A 20 2.998 -5.156 -3.913 1.00 0.00 H new ATOM 0 HA ILE A 20 4.098 -6.385 -1.571 1.00 0.00 H new ATOM 0 HB ILE A 20 1.575 -4.953 -2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.424 -3.252 -0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.667 -4.301 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.872 -5.139 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.888 -6.718 -0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.200 -6.285 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.621 -2.743 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.756 -4.423 -2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.493 -3.358 -3.096 1.00 0.00 H new ATOM 331 N LYS A 21 1.755 -7.965 -3.218 1.00 0.00 N ATOM 332 CA LYS A 21 1.106 -9.256 -3.372 1.00 0.00 C ATOM 333 C LYS A 21 2.171 -10.341 -3.541 1.00 0.00 C ATOM 334 O LYS A 21 2.080 -11.406 -2.934 1.00 0.00 O ATOM 335 CB LYS A 21 0.087 -9.211 -4.512 1.00 0.00 C ATOM 336 CG LYS A 21 -1.257 -8.663 -4.026 1.00 0.00 C ATOM 337 CD LYS A 21 -2.219 -8.454 -5.197 1.00 0.00 C ATOM 338 CE LYS A 21 -3.298 -9.538 -5.220 1.00 0.00 C ATOM 339 NZ LYS A 21 -3.085 -10.457 -6.360 1.00 0.00 N ATOM 0 H LYS A 21 1.503 -7.274 -3.925 1.00 0.00 H new ATOM 0 HA LYS A 21 0.537 -9.505 -2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.468 -8.586 -5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.051 -10.212 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.697 -9.354 -3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.102 -7.718 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.686 -7.472 -5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.664 -8.468 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.279 -10.098 -4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.283 -9.077 -5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.826 -11.187 -6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.126 -9.921 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.153 -10.910 -6.271 1.00 0.00 H new ATOM 353 N LYS A 22 3.158 -10.032 -4.370 1.00 0.00 N ATOM 354 CA LYS A 22 4.240 -10.967 -4.627 1.00 0.00 C ATOM 355 C LYS A 22 5.147 -11.042 -3.397 1.00 0.00 C ATOM 356 O LYS A 22 5.488 -12.130 -2.939 1.00 0.00 O ATOM 357 CB LYS A 22 4.978 -10.592 -5.914 1.00 0.00 C ATOM 358 CG LYS A 22 4.886 -11.717 -6.947 1.00 0.00 C ATOM 359 CD LYS A 22 5.953 -11.555 -8.031 1.00 0.00 C ATOM 360 CE LYS A 22 7.240 -12.288 -7.646 1.00 0.00 C ATOM 361 NZ LYS A 22 8.399 -11.710 -8.362 1.00 0.00 N ATOM 0 H LYS A 22 3.231 -9.147 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 22 3.846 -11.969 -4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.553 -9.678 -6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.024 -10.384 -5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.009 -12.681 -6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.896 -11.716 -7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.577 -11.944 -8.977 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.164 -10.497 -8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.398 -12.217 -6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.148 -13.347 -7.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.264 -12.219 -8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.253 -11.800 -9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.495 -10.705 -8.112 1.00 0.00 H new ATOM 375 N VAL A 23 5.511 -9.869 -2.899 1.00 0.00 N ATOM 376 CA VAL A 23 6.372 -9.788 -1.731 1.00 0.00 C ATOM 377 C VAL A 23 5.803 -10.673 -0.621 1.00 0.00 C ATOM 378 O VAL A 23 6.489 -11.561 -0.117 1.00 0.00 O ATOM 379 CB VAL A 23 6.539 -8.328 -1.305 1.00 0.00 C ATOM 380 CG1 VAL A 23 6.835 -8.224 0.193 1.00 0.00 C ATOM 381 CG2 VAL A 23 7.629 -7.638 -2.128 1.00 0.00 C ATOM 0 H VAL A 23 5.226 -8.968 -3.283 1.00 0.00 H new ATOM 0 HA VAL A 23 7.369 -10.161 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 23 5.597 -7.813 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.949 -7.176 0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.011 -8.661 0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.756 -8.761 0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.727 -6.602 -1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.577 -8.155 -1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.360 -7.665 -3.184 1.00 0.00 H new ATOM 391 N ALA A 24 4.554 -10.401 -0.271 1.00 0.00 N ATOM 392 CA ALA A 24 3.885 -11.162 0.770 1.00 0.00 C ATOM 393 C ALA A 24 3.823 -12.634 0.360 1.00 0.00 C ATOM 394 O ALA A 24 4.071 -13.520 1.176 1.00 0.00 O ATOM 395 CB ALA A 24 2.498 -10.568 1.025 1.00 0.00 C ATOM 0 H ALA A 24 3.988 -9.664 -0.690 1.00 0.00 H new ATOM 0 HA ALA A 24 4.441 -11.104 1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.996 -11.139 1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.599 -9.530 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.910 -10.611 0.109 1.00 0.00 H new ATOM 401 N GLN A 25 3.491 -12.850 -0.904 1.00 0.00 N ATOM 402 CA GLN A 25 3.393 -14.200 -1.432 1.00 0.00 C ATOM 403 C GLN A 25 4.707 -14.952 -1.214 1.00 0.00 C ATOM 404 O GLN A 25 4.704 -16.157 -0.966 1.00 0.00 O ATOM 405 CB GLN A 25 3.011 -14.183 -2.914 1.00 0.00 C ATOM 406 CG GLN A 25 1.519 -14.465 -3.099 1.00 0.00 C ATOM 407 CD GLN A 25 1.263 -15.231 -4.399 1.00 0.00 C ATOM 408 OE1 GLN A 25 1.986 -16.142 -4.766 1.00 0.00 O ATOM 409 NE2 GLN A 25 0.195 -14.811 -5.072 1.00 0.00 N ATOM 0 H GLN A 25 3.286 -12.113 -1.578 1.00 0.00 H new ATOM 0 HA GLN A 25 2.603 -14.723 -0.893 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.258 -13.213 -3.346 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.595 -14.929 -3.452 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.147 -15.043 -2.253 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.966 -13.526 -3.111 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.368 -14.042 -4.708 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.061 -15.258 -5.952 1.00 0.00 H new ATOM 418 N GLU A 26 5.800 -14.210 -1.313 1.00 0.00 N ATOM 419 CA GLU A 26 7.119 -14.791 -1.129 1.00 0.00 C ATOM 420 C GLU A 26 7.403 -15.002 0.360 1.00 0.00 C ATOM 421 O GLU A 26 8.416 -15.598 0.724 1.00 0.00 O ATOM 422 CB GLU A 26 8.198 -13.919 -1.775 1.00 0.00 C ATOM 423 CG GLU A 26 9.208 -14.775 -2.542 1.00 0.00 C ATOM 424 CD GLU A 26 10.326 -13.911 -3.127 1.00 0.00 C ATOM 425 OE1 GLU A 26 10.089 -13.333 -4.210 1.00 0.00 O ATOM 426 OE2 GLU A 26 11.393 -13.847 -2.479 1.00 0.00 O ATOM 0 H GLU A 26 5.799 -13.211 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 26 7.139 -15.762 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.734 -13.203 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.713 -13.343 -1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.634 -15.525 -1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.701 -15.312 -3.344 1.00 0.00 H new ATOM 433 N ASN A 27 6.491 -14.502 1.180 1.00 0.00 N ATOM 434 CA ASN A 27 6.631 -14.628 2.621 1.00 0.00 C ATOM 435 C ASN A 27 5.476 -15.469 3.170 1.00 0.00 C ATOM 436 O ASN A 27 5.302 -15.573 4.383 1.00 0.00 O ATOM 437 CB ASN A 27 6.584 -13.258 3.301 1.00 0.00 C ATOM 438 CG ASN A 27 7.994 -12.715 3.539 1.00 0.00 C ATOM 439 OD1 ASN A 27 8.725 -13.170 4.403 1.00 0.00 O ATOM 440 ND2 ASN A 27 8.333 -11.718 2.726 1.00 0.00 N ATOM 0 H ASN A 27 5.652 -14.009 0.874 1.00 0.00 H new ATOM 0 HA ASN A 27 7.592 -15.099 2.826 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.021 -12.560 2.681 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.056 -13.338 4.251 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.254 -11.286 2.805 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.672 -11.385 2.024 1.00 0.00 H new ATOM 447 N ASN A 28 4.718 -16.046 2.250 1.00 0.00 N ATOM 448 CA ASN A 28 3.585 -16.875 2.626 1.00 0.00 C ATOM 449 C ASN A 28 2.562 -16.021 3.378 1.00 0.00 C ATOM 450 O ASN A 28 1.884 -16.509 4.280 1.00 0.00 O ATOM 451 CB ASN A 28 4.019 -18.015 3.549 1.00 0.00 C ATOM 452 CG ASN A 28 2.943 -19.100 3.622 1.00 0.00 C ATOM 453 OD1 ASN A 28 1.790 -18.892 3.282 1.00 0.00 O ATOM 454 ND2 ASN A 28 3.383 -20.267 4.085 1.00 0.00 N ATOM 0 H ASN A 28 4.866 -15.956 1.245 1.00 0.00 H new ATOM 0 HA ASN A 28 3.155 -17.292 1.715 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.952 -18.447 3.186 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.215 -17.625 4.548 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.742 -21.055 4.173 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.362 -20.373 4.352 1.00 0.00 H new ATOM 461 N ILE A 29 2.484 -14.760 2.978 1.00 0.00 N ATOM 462 CA ILE A 29 1.555 -13.833 3.603 1.00 0.00 C ATOM 463 C ILE A 29 0.307 -13.701 2.728 1.00 0.00 C ATOM 464 O ILE A 29 0.395 -13.752 1.503 1.00 0.00 O ATOM 465 CB ILE A 29 2.245 -12.499 3.896 1.00 0.00 C ATOM 466 CG1 ILE A 29 3.327 -12.664 4.965 1.00 0.00 C ATOM 467 CG2 ILE A 29 1.223 -11.426 4.276 1.00 0.00 C ATOM 468 CD1 ILE A 29 4.139 -11.378 5.126 1.00 0.00 C ATOM 0 H ILE A 29 3.049 -14.359 2.229 1.00 0.00 H new ATOM 0 HA ILE A 29 1.228 -14.215 4.570 1.00 0.00 H new ATOM 0 HB ILE A 29 2.741 -12.164 2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.866 -12.929 5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.990 -13.485 4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.739 -10.488 4.479 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.522 -11.284 3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.679 -11.741 5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.901 -11.522 5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.618 -11.129 4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.477 -10.564 5.422 1.00 0.00 H new ATOM 480 N GLU A 30 -0.827 -13.534 3.393 1.00 0.00 N ATOM 481 CA GLU A 30 -2.092 -13.395 2.691 1.00 0.00 C ATOM 482 C GLU A 30 -2.809 -12.119 3.138 1.00 0.00 C ATOM 483 O GLU A 30 -3.952 -11.878 2.752 1.00 0.00 O ATOM 484 CB GLU A 30 -2.977 -14.625 2.905 1.00 0.00 C ATOM 485 CG GLU A 30 -3.235 -15.351 1.583 1.00 0.00 C ATOM 486 CD GLU A 30 -3.816 -16.745 1.828 1.00 0.00 C ATOM 487 OE1 GLU A 30 -5.032 -16.813 2.107 1.00 0.00 O ATOM 488 OE2 GLU A 30 -3.029 -17.712 1.731 1.00 0.00 O ATOM 0 H GLU A 30 -0.896 -13.492 4.410 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.886 -13.318 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.497 -15.304 3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.925 -14.322 3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.924 -14.768 0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.304 -15.434 1.022 1.00 0.00 H new ATOM 495 N ASN A 31 -2.108 -11.336 3.945 1.00 0.00 N ATOM 496 CA ASN A 31 -2.664 -10.092 4.448 1.00 0.00 C ATOM 497 C ASN A 31 -1.528 -9.100 4.710 1.00 0.00 C ATOM 498 O ASN A 31 -1.261 -8.745 5.857 1.00 0.00 O ATOM 499 CB ASN A 31 -3.409 -10.314 5.766 1.00 0.00 C ATOM 500 CG ASN A 31 -2.766 -11.442 6.576 1.00 0.00 C ATOM 501 OD1 ASN A 31 -2.744 -12.594 6.176 1.00 0.00 O ATOM 502 ND2 ASN A 31 -2.247 -11.047 7.735 1.00 0.00 N ATOM 0 H ASN A 31 -1.160 -11.539 4.263 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.358 -9.707 3.701 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.404 -9.394 6.350 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.452 -10.557 5.562 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.796 -11.725 8.349 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.300 -10.066 8.010 1.00 0.00 H new ATOM 509 N PRO A 32 -0.873 -8.670 3.598 1.00 0.00 N ATOM 510 CA PRO A 32 0.228 -7.727 3.695 1.00 0.00 C ATOM 511 C PRO A 32 -0.285 -6.314 3.982 1.00 0.00 C ATOM 512 O PRO A 32 -1.455 -6.014 3.747 1.00 0.00 O ATOM 513 CB PRO A 32 0.958 -7.836 2.367 1.00 0.00 C ATOM 514 CG PRO A 32 -0.022 -8.486 1.404 1.00 0.00 C ATOM 515 CD PRO A 32 -1.162 -9.069 2.224 1.00 0.00 C ATOM 0 HA PRO A 32 0.901 -7.950 4.523 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.264 -6.853 2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.863 -8.435 2.467 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.400 -7.753 0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.472 -9.267 0.826 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.126 -8.681 1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.205 -10.154 2.127 1.00 0.00 H new ATOM 523 N ILE A 33 0.616 -5.483 4.486 1.00 0.00 N ATOM 524 CA ILE A 33 0.269 -4.109 4.807 1.00 0.00 C ATOM 525 C ILE A 33 1.250 -3.164 4.111 1.00 0.00 C ATOM 526 O ILE A 33 2.437 -3.146 4.435 1.00 0.00 O ATOM 527 CB ILE A 33 0.200 -3.915 6.323 1.00 0.00 C ATOM 528 CG1 ILE A 33 -1.155 -4.366 6.873 1.00 0.00 C ATOM 529 CG2 ILE A 33 0.519 -2.468 6.706 1.00 0.00 C ATOM 530 CD1 ILE A 33 -0.977 -5.347 8.034 1.00 0.00 C ATOM 0 H ILE A 33 1.585 -5.735 4.680 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.726 -3.870 4.432 1.00 0.00 H new ATOM 0 HB ILE A 33 0.961 -4.546 6.782 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.722 -3.498 7.209 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.735 -4.837 6.080 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.463 -2.357 7.789 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.524 -2.215 6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.202 -1.800 6.235 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.955 -5.652 8.406 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.431 -6.225 7.688 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.418 -4.864 8.836 1.00 0.00 H new ATOM 542 N LEU A 34 0.719 -2.403 3.166 1.00 0.00 N ATOM 543 CA LEU A 34 1.532 -1.457 2.420 1.00 0.00 C ATOM 544 C LEU A 34 1.477 -0.091 3.107 1.00 0.00 C ATOM 545 O LEU A 34 0.422 0.538 3.160 1.00 0.00 O ATOM 546 CB LEU A 34 1.106 -1.425 0.951 1.00 0.00 C ATOM 547 CG LEU A 34 1.835 -0.414 0.063 1.00 0.00 C ATOM 548 CD1 LEU A 34 3.283 -0.842 -0.179 1.00 0.00 C ATOM 549 CD2 LEU A 34 1.076 -0.188 -1.246 1.00 0.00 C ATOM 0 H LEU A 34 -0.265 -2.422 2.899 1.00 0.00 H new ATOM 0 HA LEU A 34 2.576 -1.771 2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.251 -2.420 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.038 -1.213 0.908 1.00 0.00 H new ATOM 0 HG LEU A 34 1.866 0.542 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.779 -0.107 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.806 -0.911 0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.298 -1.814 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.615 0.534 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.993 -1.131 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.079 0.194 -1.027 1.00 0.00 H new ATOM 561 N ARG A 35 2.627 0.327 3.614 1.00 0.00 N ATOM 562 CA ARG A 35 2.723 1.607 4.295 1.00 0.00 C ATOM 563 C ARG A 35 3.530 2.597 3.452 1.00 0.00 C ATOM 564 O ARG A 35 4.708 2.371 3.182 1.00 0.00 O ATOM 565 CB ARG A 35 3.387 1.455 5.665 1.00 0.00 C ATOM 566 CG ARG A 35 3.389 2.783 6.425 1.00 0.00 C ATOM 567 CD ARG A 35 4.708 2.985 7.172 1.00 0.00 C ATOM 568 NE ARG A 35 4.810 2.020 8.289 1.00 0.00 N ATOM 569 CZ ARG A 35 5.932 1.793 8.986 1.00 0.00 C ATOM 570 NH1 ARG A 35 7.055 2.460 8.684 1.00 0.00 N ATOM 571 NH2 ARG A 35 5.932 0.899 9.984 1.00 0.00 N ATOM 0 H ARG A 35 3.500 -0.198 3.567 1.00 0.00 H new ATOM 0 HA ARG A 35 1.710 1.984 4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.859 0.700 6.247 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.411 1.102 5.540 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.232 3.606 5.727 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.560 2.803 7.132 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.547 2.852 6.488 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.766 4.004 7.554 1.00 0.00 H new ATOM 0 HE ARG A 35 3.974 1.495 8.545 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.055 3.140 7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.909 2.287 9.214 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.078 0.391 10.214 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.786 0.727 10.514 1.00 0.00 H new ATOM 585 N ILE A 36 2.863 3.674 3.062 1.00 0.00 N ATOM 586 CA ILE A 36 3.504 4.699 2.255 1.00 0.00 C ATOM 587 C ILE A 36 4.099 5.767 3.175 1.00 0.00 C ATOM 588 O ILE A 36 3.365 6.497 3.840 1.00 0.00 O ATOM 589 CB ILE A 36 2.525 5.255 1.219 1.00 0.00 C ATOM 590 CG1 ILE A 36 2.480 4.366 -0.025 1.00 0.00 C ATOM 591 CG2 ILE A 36 2.858 6.708 0.875 1.00 0.00 C ATOM 592 CD1 ILE A 36 1.157 3.602 -0.105 1.00 0.00 C ATOM 0 H ILE A 36 1.886 3.859 3.290 1.00 0.00 H new ATOM 0 HA ILE A 36 4.329 4.274 1.683 1.00 0.00 H new ATOM 0 HB ILE A 36 1.526 5.249 1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.605 4.978 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.311 3.661 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.147 7.079 0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.797 7.318 1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.867 6.763 0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.151 2.978 -0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.046 2.973 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.330 4.310 -0.152 1.00 0.00 H new ATOM 604 N ARG A 37 5.422 5.825 3.183 1.00 0.00 N ATOM 605 CA ARG A 37 6.124 6.792 4.011 1.00 0.00 C ATOM 606 C ARG A 37 6.914 7.765 3.134 1.00 0.00 C ATOM 607 O ARG A 37 7.290 7.431 2.012 1.00 0.00 O ATOM 608 CB ARG A 37 7.082 6.095 4.979 1.00 0.00 C ATOM 609 CG ARG A 37 8.224 5.412 4.225 1.00 0.00 C ATOM 610 CD ARG A 37 9.584 5.883 4.745 1.00 0.00 C ATOM 611 NE ARG A 37 10.060 4.974 5.811 1.00 0.00 N ATOM 612 CZ ARG A 37 11.003 5.295 6.708 1.00 0.00 C ATOM 613 NH1 ARG A 37 11.576 6.506 6.672 1.00 0.00 N ATOM 614 NH2 ARG A 37 11.373 4.406 7.640 1.00 0.00 N ATOM 0 H ARG A 37 6.027 5.218 2.630 1.00 0.00 H new ATOM 0 HA ARG A 37 5.378 7.340 4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.489 6.823 5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.537 5.356 5.567 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.143 4.331 4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.143 5.630 3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.306 5.909 3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.503 6.899 5.131 1.00 0.00 H new ATOM 0 HE ARG A 37 9.644 4.044 5.867 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.294 7.183 5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.294 6.751 7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.937 3.484 7.667 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.091 4.651 8.322 1.00 0.00 H new ATOM 628 N VAL A 38 7.143 8.951 3.680 1.00 0.00 N ATOM 629 CA VAL A 38 7.882 9.975 2.962 1.00 0.00 C ATOM 630 C VAL A 38 9.381 9.763 3.179 1.00 0.00 C ATOM 631 O VAL A 38 9.827 9.560 4.307 1.00 0.00 O ATOM 632 CB VAL A 38 7.406 11.364 3.395 1.00 0.00 C ATOM 633 CG1 VAL A 38 8.221 12.461 2.708 1.00 0.00 C ATOM 634 CG2 VAL A 38 5.911 11.540 3.123 1.00 0.00 C ATOM 0 H VAL A 38 6.830 9.225 4.611 1.00 0.00 H new ATOM 0 HA VAL A 38 7.695 9.901 1.891 1.00 0.00 H new ATOM 0 HB VAL A 38 7.564 11.453 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.863 13.438 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.273 12.353 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.109 12.375 1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.598 12.535 3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.719 11.421 2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.349 10.789 3.679 1.00 0.00 H new ATOM 644 N VAL A 39 10.119 9.818 2.079 1.00 0.00 N ATOM 645 CA VAL A 39 11.559 9.634 2.135 1.00 0.00 C ATOM 646 C VAL A 39 12.251 10.918 1.674 1.00 0.00 C ATOM 647 O VAL A 39 12.610 11.048 0.504 1.00 0.00 O ATOM 648 CB VAL A 39 11.963 8.409 1.312 1.00 0.00 C ATOM 649 CG1 VAL A 39 13.485 8.272 1.242 1.00 0.00 C ATOM 650 CG2 VAL A 39 11.323 7.137 1.872 1.00 0.00 C ATOM 0 H VAL A 39 9.746 9.987 1.145 1.00 0.00 H new ATOM 0 HA VAL A 39 11.879 9.441 3.159 1.00 0.00 H new ATOM 0 HB VAL A 39 11.593 8.551 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.744 7.393 0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.909 9.161 0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.887 8.164 2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.626 6.281 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.648 6.989 2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.238 7.234 1.845 1.00 0.00 H new ATOM 660 N PRO A 40 12.422 11.858 2.641 1.00 0.00 N ATOM 661 CA PRO A 40 13.065 13.128 2.346 1.00 0.00 C ATOM 662 C PRO A 40 14.578 12.955 2.198 1.00 0.00 C ATOM 663 O PRO A 40 15.352 13.622 2.883 1.00 0.00 O ATOM 664 CB PRO A 40 12.681 14.040 3.499 1.00 0.00 C ATOM 665 CG PRO A 40 12.229 13.123 4.624 1.00 0.00 C ATOM 666 CD PRO A 40 12.010 11.738 4.037 1.00 0.00 C ATOM 0 HA PRO A 40 12.742 13.553 1.395 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.527 14.653 3.811 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.883 14.723 3.208 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.980 13.089 5.413 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.309 13.496 5.075 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.602 10.988 4.561 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.966 11.434 4.117 1.00 0.00 H new ATOM 737 N GLN A 47 10.832 10.099 -3.229 1.00 0.00 N ATOM 738 CA GLN A 47 9.570 9.424 -3.480 1.00 0.00 C ATOM 739 C GLN A 47 9.185 8.554 -2.282 1.00 0.00 C ATOM 740 O GLN A 47 9.955 8.425 -1.332 1.00 0.00 O ATOM 741 CB GLN A 47 9.639 8.592 -4.762 1.00 0.00 C ATOM 742 CG GLN A 47 9.955 9.474 -5.972 1.00 0.00 C ATOM 743 CD GLN A 47 8.709 9.691 -6.833 1.00 0.00 C ATOM 744 OE1 GLN A 47 7.590 9.422 -6.430 1.00 0.00 O ATOM 745 NE2 GLN A 47 8.965 10.192 -8.038 1.00 0.00 N ATOM 0 HA GLN A 47 8.797 10.180 -3.618 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.404 7.822 -4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.690 8.080 -4.919 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.340 10.436 -5.634 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.739 9.009 -6.571 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.926 10.395 -8.312 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.200 10.374 -8.688 1.00 0.00 H new ATOM 754 N TYR A 48 7.994 7.980 -2.366 1.00 0.00 N ATOM 755 CA TYR A 48 7.498 7.126 -1.300 1.00 0.00 C ATOM 756 C TYR A 48 7.809 5.655 -1.586 1.00 0.00 C ATOM 757 O TYR A 48 7.349 5.103 -2.584 1.00 0.00 O ATOM 758 CB TYR A 48 5.980 7.319 -1.277 1.00 0.00 C ATOM 759 CG TYR A 48 5.540 8.762 -1.027 1.00 0.00 C ATOM 760 CD1 TYR A 48 5.574 9.682 -2.055 1.00 0.00 C ATOM 761 CD2 TYR A 48 5.109 9.144 0.228 1.00 0.00 C ATOM 762 CE1 TYR A 48 5.160 11.041 -1.819 1.00 0.00 C ATOM 763 CE2 TYR A 48 4.695 10.503 0.464 1.00 0.00 C ATOM 764 CZ TYR A 48 4.741 11.385 -0.571 1.00 0.00 C ATOM 765 OH TYR A 48 4.350 12.668 -0.348 1.00 0.00 O ATOM 0 H TYR A 48 7.358 8.089 -3.156 1.00 0.00 H new ATOM 0 HA TYR A 48 7.967 7.385 -0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.567 6.984 -2.228 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.555 6.681 -0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.911 9.383 -3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.082 8.424 1.032 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.182 11.771 -2.615 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.356 10.815 1.441 1.00 0.00 H new ATOM 0 HH TYR A 48 3.979 13.045 -1.173 1.00 0.00 H new ATOM 775 N ALA A 49 8.588 5.064 -0.693 1.00 0.00 N ATOM 776 CA ALA A 49 8.966 3.668 -0.837 1.00 0.00 C ATOM 777 C ALA A 49 7.837 2.781 -0.308 1.00 0.00 C ATOM 778 O ALA A 49 7.006 3.232 0.479 1.00 0.00 O ATOM 779 CB ALA A 49 10.291 3.420 -0.112 1.00 0.00 C ATOM 0 H ALA A 49 8.968 5.526 0.133 1.00 0.00 H new ATOM 0 HA ALA A 49 9.117 3.418 -1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.574 2.373 -0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.066 4.052 -0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.177 3.658 0.946 1.00 0.00 H new ATOM 785 N MET A 50 7.844 1.536 -0.761 1.00 0.00 N ATOM 786 CA MET A 50 6.831 0.582 -0.343 1.00 0.00 C ATOM 787 C MET A 50 7.420 -0.462 0.606 1.00 0.00 C ATOM 788 O MET A 50 8.626 -0.477 0.848 1.00 0.00 O ATOM 789 CB MET A 50 6.249 -0.117 -1.574 1.00 0.00 C ATOM 790 CG MET A 50 5.795 0.903 -2.620 1.00 0.00 C ATOM 791 SD MET A 50 4.027 0.800 -2.846 1.00 0.00 S ATOM 792 CE MET A 50 3.905 -0.812 -3.603 1.00 0.00 C ATOM 0 H MET A 50 8.535 1.166 -1.413 1.00 0.00 H new ATOM 0 HA MET A 50 6.045 1.123 0.184 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.998 -0.780 -2.008 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.405 -0.740 -1.278 1.00 0.00 H new ATOM 0 HG2 MET A 50 6.071 1.909 -2.303 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.302 0.716 -3.566 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.973 -1.288 -3.298 1.00 0.00 H new ATOM 0 HE2 MET A 50 3.920 -0.707 -4.688 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.747 -1.427 -3.286 1.00 0.00 H new ATOM 802 N GLY A 51 6.541 -1.311 1.120 1.00 0.00 N ATOM 803 CA GLY A 51 6.959 -2.357 2.038 1.00 0.00 C ATOM 804 C GLY A 51 5.763 -3.190 2.501 1.00 0.00 C ATOM 805 O GLY A 51 4.654 -3.027 1.994 1.00 0.00 O ATOM 0 H GLY A 51 5.541 -1.295 0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.690 -3.003 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.453 -1.912 2.902 1.00 0.00 H new ATOM 809 N PHE A 52 6.028 -4.066 3.459 1.00 0.00 N ATOM 810 CA PHE A 52 4.987 -4.926 3.996 1.00 0.00 C ATOM 811 C PHE A 52 5.086 -5.021 5.520 1.00 0.00 C ATOM 812 O PHE A 52 6.127 -5.399 6.055 1.00 0.00 O ATOM 813 CB PHE A 52 5.200 -6.317 3.395 1.00 0.00 C ATOM 814 CG PHE A 52 6.671 -6.716 3.258 1.00 0.00 C ATOM 815 CD1 PHE A 52 7.476 -6.056 2.383 1.00 0.00 C ATOM 816 CD2 PHE A 52 7.173 -7.731 4.012 1.00 0.00 C ATOM 817 CE1 PHE A 52 8.841 -6.427 2.256 1.00 0.00 C ATOM 818 CE2 PHE A 52 8.538 -8.102 3.885 1.00 0.00 C ATOM 819 CZ PHE A 52 9.343 -7.442 3.010 1.00 0.00 C ATOM 0 H PHE A 52 6.949 -4.199 3.877 1.00 0.00 H new ATOM 0 HA PHE A 52 4.006 -4.522 3.747 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.691 -7.053 4.018 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.731 -6.353 2.412 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.077 -5.250 1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.534 -8.255 4.707 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.480 -5.903 1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.937 -8.908 4.483 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.381 -7.724 2.914 1.00 0.00 H new ATOM 829 N ASP A 53 3.989 -4.672 6.175 1.00 0.00 N ATOM 830 CA ASP A 53 3.939 -4.714 7.627 1.00 0.00 C ATOM 831 C ASP A 53 2.927 -5.773 8.068 1.00 0.00 C ATOM 832 O ASP A 53 2.232 -6.356 7.238 1.00 0.00 O ATOM 833 CB ASP A 53 3.496 -3.367 8.202 1.00 0.00 C ATOM 834 CG ASP A 53 3.830 -3.153 9.679 1.00 0.00 C ATOM 835 OD1 ASP A 53 4.371 -4.105 10.282 1.00 0.00 O ATOM 836 OD2 ASP A 53 3.537 -2.042 10.172 1.00 0.00 O ATOM 0 H ASP A 53 3.128 -4.359 5.727 1.00 0.00 H new ATOM 0 HA ASP A 53 4.938 -4.951 7.992 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.961 -2.570 7.621 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.418 -3.270 8.071 1.00 0.00 H new ATOM 841 N ASP A 54 2.876 -5.988 9.375 1.00 0.00 N ATOM 842 CA ASP A 54 1.961 -6.967 9.936 1.00 0.00 C ATOM 843 C ASP A 54 1.400 -6.435 11.257 1.00 0.00 C ATOM 844 O ASP A 54 1.323 -7.167 12.242 1.00 0.00 O ATOM 845 CB ASP A 54 2.676 -8.288 10.224 1.00 0.00 C ATOM 846 CG ASP A 54 3.098 -9.079 8.984 1.00 0.00 C ATOM 847 OD1 ASP A 54 3.734 -8.459 8.105 1.00 0.00 O ATOM 848 OD2 ASP A 54 2.775 -10.286 8.944 1.00 0.00 O ATOM 0 H ASP A 54 3.453 -5.501 10.061 1.00 0.00 H new ATOM 0 HA ASP A 54 1.165 -7.139 9.211 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.563 -8.081 10.823 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.021 -8.914 10.830 1.00 0.00 H new ATOM 853 N THR A 55 1.023 -5.165 11.234 1.00 0.00 N ATOM 854 CA THR A 55 0.472 -4.527 12.417 1.00 0.00 C ATOM 855 C THR A 55 -0.219 -3.214 12.042 1.00 0.00 C ATOM 856 O THR A 55 0.143 -2.578 11.053 1.00 0.00 O ATOM 857 CB THR A 55 1.605 -4.349 13.430 1.00 0.00 C ATOM 858 OG1 THR A 55 0.985 -3.695 14.534 1.00 0.00 O ATOM 859 CG2 THR A 55 2.665 -3.353 12.955 1.00 0.00 C ATOM 0 H THR A 55 1.088 -4.561 10.415 1.00 0.00 H new ATOM 0 HA THR A 55 -0.300 -5.145 12.876 1.00 0.00 H new ATOM 0 HB THR A 55 2.074 -5.314 13.622 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.649 -3.542 15.239 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.445 -3.264 13.711 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.103 -3.705 12.021 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.203 -2.379 12.794 1.00 0.00 H new ATOM 867 N VAL A 56 -1.201 -2.847 12.852 1.00 0.00 N ATOM 868 CA VAL A 56 -1.946 -1.622 12.618 1.00 0.00 C ATOM 869 C VAL A 56 -1.342 -0.494 13.458 1.00 0.00 C ATOM 870 O VAL A 56 -0.717 -0.748 14.486 1.00 0.00 O ATOM 871 CB VAL A 56 -3.432 -1.850 12.902 1.00 0.00 C ATOM 872 CG1 VAL A 56 -4.061 -0.616 13.554 1.00 0.00 C ATOM 873 CG2 VAL A 56 -4.181 -2.238 11.626 1.00 0.00 C ATOM 0 H VAL A 56 -1.498 -3.377 13.671 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.871 -1.324 11.572 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.516 -2.679 13.604 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.117 -0.804 13.745 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.554 -0.403 14.495 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.960 0.240 12.886 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.235 -2.394 11.856 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.085 -1.439 10.890 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.758 -3.157 11.221 1.00 0.00 H new ATOM 883 N GLU A 57 -1.550 0.727 12.988 1.00 0.00 N ATOM 884 CA GLU A 57 -1.035 1.894 13.684 1.00 0.00 C ATOM 885 C GLU A 57 -2.134 2.535 14.533 1.00 0.00 C ATOM 886 O GLU A 57 -3.301 2.161 14.428 1.00 0.00 O ATOM 887 CB GLU A 57 -0.445 2.904 12.697 1.00 0.00 C ATOM 888 CG GLU A 57 0.210 2.194 11.511 1.00 0.00 C ATOM 889 CD GLU A 57 1.419 1.372 11.964 1.00 0.00 C ATOM 890 OE1 GLU A 57 2.481 1.995 12.177 1.00 0.00 O ATOM 891 OE2 GLU A 57 1.253 0.139 12.088 1.00 0.00 O ATOM 0 H GLU A 57 -2.068 0.934 12.134 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.233 1.572 14.348 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.231 3.569 12.338 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.292 3.526 13.205 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.517 1.542 11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.523 2.929 10.770 1.00 0.00 H new ATOM 898 N GLU A 58 -1.722 3.488 15.356 1.00 0.00 N ATOM 899 CA GLU A 58 -2.657 4.184 16.223 1.00 0.00 C ATOM 900 C GLU A 58 -3.410 5.260 15.437 1.00 0.00 C ATOM 901 O GLU A 58 -3.553 6.389 15.904 1.00 0.00 O ATOM 902 CB GLU A 58 -1.939 4.789 17.431 1.00 0.00 C ATOM 903 CG GLU A 58 -2.791 4.662 18.695 1.00 0.00 C ATOM 904 CD GLU A 58 -2.609 3.287 19.343 1.00 0.00 C ATOM 905 OE1 GLU A 58 -2.946 2.292 18.665 1.00 0.00 O ATOM 906 OE2 GLU A 58 -2.138 3.263 20.500 1.00 0.00 O ATOM 0 H GLU A 58 -0.753 3.794 15.441 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.382 3.461 16.597 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.984 4.286 17.580 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.720 5.839 17.240 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.514 5.442 19.404 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.841 4.815 18.447 1.00 0.00 H new ATOM 913 N GLY A 59 -3.871 4.872 14.257 1.00 0.00 N ATOM 914 CA GLY A 59 -4.605 5.790 13.402 1.00 0.00 C ATOM 915 C GLY A 59 -4.042 5.783 11.980 1.00 0.00 C ATOM 916 O GLY A 59 -3.480 6.779 11.526 1.00 0.00 O ATOM 0 H GLY A 59 -3.751 3.935 13.873 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.658 5.510 13.381 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.551 6.798 13.813 1.00 0.00 H new ATOM 920 N ASP A 60 -4.211 4.649 11.315 1.00 0.00 N ATOM 921 CA ASP A 60 -3.727 4.500 9.954 1.00 0.00 C ATOM 922 C ASP A 60 -4.880 4.052 9.053 1.00 0.00 C ATOM 923 O ASP A 60 -5.541 3.054 9.336 1.00 0.00 O ATOM 924 CB ASP A 60 -2.626 3.441 9.874 1.00 0.00 C ATOM 925 CG ASP A 60 -1.294 3.934 9.305 1.00 0.00 C ATOM 926 OD1 ASP A 60 -1.079 5.165 9.348 1.00 0.00 O ATOM 927 OD2 ASP A 60 -0.520 3.069 8.840 1.00 0.00 O ATOM 0 H ASP A 60 -4.677 3.825 11.694 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.327 5.461 9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.452 3.044 10.874 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.982 2.614 9.260 1.00 0.00 H new ATOM 932 N HIS A 61 -5.085 4.811 7.987 1.00 0.00 N ATOM 933 CA HIS A 61 -6.147 4.505 7.043 1.00 0.00 C ATOM 934 C HIS A 61 -5.865 3.158 6.373 1.00 0.00 C ATOM 935 O HIS A 61 -5.002 3.064 5.501 1.00 0.00 O ATOM 936 CB HIS A 61 -6.323 5.643 6.036 1.00 0.00 C ATOM 937 CG HIS A 61 -6.808 6.935 6.649 1.00 0.00 C ATOM 938 ND1 HIS A 61 -8.142 7.179 6.927 1.00 0.00 N ATOM 939 CD2 HIS A 61 -6.124 8.050 7.034 1.00 0.00 C ATOM 940 CE1 HIS A 61 -8.244 8.390 7.455 1.00 0.00 C ATOM 941 NE2 HIS A 61 -6.992 8.928 7.520 1.00 0.00 N ATOM 0 H HIS A 61 -4.534 5.637 7.756 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.096 4.417 7.573 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.371 5.824 5.538 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.030 5.329 5.268 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -8.915 6.536 6.755 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.056 8.194 6.956 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -9.158 8.867 7.777 1.00 0.00 H new ATOM 949 N VAL A 62 -6.608 2.151 6.806 1.00 0.00 N ATOM 950 CA VAL A 62 -6.449 0.814 6.259 1.00 0.00 C ATOM 951 C VAL A 62 -7.419 0.628 5.090 1.00 0.00 C ATOM 952 O VAL A 62 -8.615 0.881 5.225 1.00 0.00 O ATOM 953 CB VAL A 62 -6.635 -0.229 7.363 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.049 -0.812 7.333 1.00 0.00 C ATOM 955 CG2 VAL A 62 -5.583 -1.334 7.256 1.00 0.00 C ATOM 0 H VAL A 62 -7.322 2.234 7.530 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.440 0.678 5.869 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.499 0.270 8.322 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.155 -1.551 8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.775 -0.013 7.481 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.226 -1.289 6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.738 -2.062 8.052 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.672 -1.829 6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.588 -0.899 7.350 1.00 0.00 H new ATOM 965 N PHE A 63 -6.867 0.185 3.970 1.00 0.00 N ATOM 966 CA PHE A 63 -7.668 -0.038 2.778 1.00 0.00 C ATOM 967 C PHE A 63 -7.628 -1.509 2.359 1.00 0.00 C ATOM 968 O PHE A 63 -6.562 -2.123 2.333 1.00 0.00 O ATOM 969 CB PHE A 63 -7.059 0.814 1.663 1.00 0.00 C ATOM 970 CG PHE A 63 -7.988 1.912 1.141 1.00 0.00 C ATOM 971 CD1 PHE A 63 -8.663 2.705 2.016 1.00 0.00 C ATOM 972 CD2 PHE A 63 -8.140 2.094 -0.198 1.00 0.00 C ATOM 973 CE1 PHE A 63 -9.525 3.724 1.531 1.00 0.00 C ATOM 974 CE2 PHE A 63 -9.002 3.113 -0.683 1.00 0.00 C ATOM 975 CZ PHE A 63 -9.676 3.906 0.192 1.00 0.00 C ATOM 0 H PHE A 63 -5.875 -0.026 3.863 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.707 0.229 2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.141 1.273 2.031 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.780 0.164 0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.543 2.560 3.079 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.605 1.463 -0.893 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.061 4.354 2.226 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.122 3.258 -1.746 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.332 4.681 -0.177 1.00 0.00 H new ATOM 985 N GLU A 64 -8.803 -2.033 2.041 1.00 0.00 N ATOM 986 CA GLU A 64 -8.916 -3.420 1.625 1.00 0.00 C ATOM 987 C GLU A 64 -8.808 -3.527 0.102 1.00 0.00 C ATOM 988 O GLU A 64 -9.738 -3.163 -0.617 1.00 0.00 O ATOM 989 CB GLU A 64 -10.222 -4.039 2.127 1.00 0.00 C ATOM 990 CG GLU A 64 -10.519 -3.602 3.563 1.00 0.00 C ATOM 991 CD GLU A 64 -11.927 -4.028 3.985 1.00 0.00 C ATOM 992 OE1 GLU A 64 -12.105 -5.242 4.223 1.00 0.00 O ATOM 993 OE2 GLU A 64 -12.793 -3.130 4.061 1.00 0.00 O ATOM 0 H GLU A 64 -9.685 -1.521 2.063 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.093 -3.980 2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.044 -3.742 1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.155 -5.126 2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.785 -4.039 4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.423 -2.519 3.645 1.00 0.00 H new ATOM 1000 N TYR A 65 -7.666 -4.029 -0.344 1.00 0.00 N ATOM 1001 CA TYR A 65 -7.425 -4.189 -1.768 1.00 0.00 C ATOM 1002 C TYR A 65 -7.669 -5.634 -2.207 1.00 0.00 C ATOM 1003 O TYR A 65 -8.348 -6.391 -1.514 1.00 0.00 O ATOM 1004 CB TYR A 65 -5.951 -3.843 -1.988 1.00 0.00 C ATOM 1005 CG TYR A 65 -5.724 -2.616 -2.872 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -5.612 -2.762 -4.240 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -5.632 -1.362 -2.303 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -5.398 -1.607 -5.073 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -5.418 -0.207 -3.135 1.00 0.00 C ATOM 1010 CZ TYR A 65 -5.312 -0.386 -4.479 1.00 0.00 C ATOM 1011 OH TYR A 65 -5.111 0.705 -5.266 1.00 0.00 O ATOM 0 H TYR A 65 -6.898 -4.330 0.255 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.095 -3.551 -2.344 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.480 -3.672 -1.020 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.451 -4.700 -2.439 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.685 -3.743 -4.686 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.721 -1.247 -1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.308 -1.708 -6.145 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.343 0.779 -2.702 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.071 1.509 -4.707 1.00 0.00 H new ATOM 1021 N ASP A 66 -7.100 -5.974 -3.354 1.00 0.00 N ATOM 1022 CA ASP A 66 -7.247 -7.316 -3.894 1.00 0.00 C ATOM 1023 C ASP A 66 -6.505 -8.306 -2.994 1.00 0.00 C ATOM 1024 O ASP A 66 -5.474 -8.852 -3.383 1.00 0.00 O ATOM 1025 CB ASP A 66 -6.649 -7.413 -5.298 1.00 0.00 C ATOM 1026 CG ASP A 66 -7.066 -8.652 -6.094 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -8.257 -8.713 -6.467 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -6.183 -9.511 -6.310 1.00 0.00 O ATOM 0 H ASP A 66 -6.536 -5.344 -3.925 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.311 -7.547 -3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.935 -6.525 -5.861 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.562 -7.401 -5.215 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.060 -8.509 -1.808 1.00 0.00 N ATOM 1034 CA GLY A 67 -6.463 -9.424 -0.850 1.00 0.00 C ATOM 1035 C GLY A 67 -5.188 -8.832 -0.246 1.00 0.00 C ATOM 1036 O GLY A 67 -4.246 -9.561 0.060 1.00 0.00 O ATOM 0 H GLY A 67 -7.916 -8.056 -1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.178 -9.643 -0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.232 -10.370 -1.340 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.201 -7.516 -0.091 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.057 -6.818 0.471 1.00 0.00 C ATOM 1042 C VAL A 68 -4.545 -5.597 1.254 1.00 0.00 C ATOM 1043 O VAL A 68 -5.644 -5.100 1.014 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.066 -6.460 -0.638 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -2.023 -5.458 -0.139 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.396 -7.715 -1.201 1.00 0.00 C ATOM 0 H VAL A 68 -5.985 -6.915 -0.345 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.523 -7.461 1.171 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.624 -5.987 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.331 -5.221 -0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.522 -4.547 0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.472 -5.892 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.696 -7.432 -1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.858 -8.229 -0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.156 -8.379 -1.613 1.00 0.00 H new ATOM 1056 N LYS A 69 -3.704 -5.149 2.174 1.00 0.00 N ATOM 1057 CA LYS A 69 -4.035 -3.996 2.993 1.00 0.00 C ATOM 1058 C LYS A 69 -3.002 -2.893 2.756 1.00 0.00 C ATOM 1059 O LYS A 69 -1.818 -3.174 2.577 1.00 0.00 O ATOM 1060 CB LYS A 69 -4.172 -4.404 4.462 1.00 0.00 C ATOM 1061 CG LYS A 69 -5.644 -4.529 4.861 1.00 0.00 C ATOM 1062 CD LYS A 69 -5.785 -5.175 6.241 1.00 0.00 C ATOM 1063 CE LYS A 69 -7.110 -5.929 6.361 1.00 0.00 C ATOM 1064 NZ LYS A 69 -7.507 -6.057 7.781 1.00 0.00 N ATOM 0 H LYS A 69 -2.793 -5.564 2.370 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.005 -3.591 2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.664 -5.354 4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.681 -3.665 5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.108 -3.543 4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.176 -5.126 4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.955 -5.861 6.412 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.728 -4.408 7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.886 -5.402 5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.014 -6.918 5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.409 -6.571 7.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.773 -6.579 8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.619 -5.110 8.197 1.00 0.00 H new ATOM 1078 N VAL A 70 -3.488 -1.660 2.760 1.00 0.00 N ATOM 1079 CA VAL A 70 -2.622 -0.513 2.547 1.00 0.00 C ATOM 1080 C VAL A 70 -2.871 0.519 3.648 1.00 0.00 C ATOM 1081 O VAL A 70 -3.983 0.628 4.163 1.00 0.00 O ATOM 1082 CB VAL A 70 -2.835 0.049 1.140 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -2.320 1.486 1.041 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -2.177 -0.844 0.087 1.00 0.00 C ATOM 0 H VAL A 70 -4.471 -1.431 2.907 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.574 -0.808 2.609 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.907 0.063 0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.483 1.862 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.855 2.114 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.254 1.507 1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.344 -0.422 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.106 -0.905 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.612 -1.842 0.134 1.00 0.00 H new ATOM 1094 N VAL A 71 -1.817 1.252 3.977 1.00 0.00 N ATOM 1095 CA VAL A 71 -1.907 2.273 5.007 1.00 0.00 C ATOM 1096 C VAL A 71 -1.001 3.448 4.636 1.00 0.00 C ATOM 1097 O VAL A 71 0.007 3.268 3.954 1.00 0.00 O ATOM 1098 CB VAL A 71 -1.573 1.669 6.373 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -2.078 0.228 6.473 1.00 0.00 C ATOM 1100 CG2 VAL A 71 -0.071 1.744 6.653 1.00 0.00 C ATOM 0 H VAL A 71 -0.896 1.159 3.548 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.925 2.657 5.076 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.085 2.257 7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.828 -0.178 7.453 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.160 0.211 6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.607 -0.377 5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.139 1.308 7.630 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.470 1.192 5.885 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.249 2.786 6.644 1.00 0.00 H new ATOM 1110 N ILE A 72 -1.392 4.626 5.100 1.00 0.00 N ATOM 1111 CA ILE A 72 -0.627 5.830 4.825 1.00 0.00 C ATOM 1112 C ILE A 72 -0.712 6.769 6.031 1.00 0.00 C ATOM 1113 O ILE A 72 -1.801 7.184 6.424 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.089 6.470 3.514 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -1.280 5.412 2.426 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -0.127 7.576 3.076 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -1.740 6.052 1.114 1.00 0.00 C ATOM 0 H ILE A 72 -2.229 4.772 5.665 1.00 0.00 H new ATOM 0 HA ILE A 72 0.426 5.588 4.682 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.060 6.936 3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.344 4.877 2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.015 4.677 2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.478 8.015 2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.084 8.347 3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.868 7.156 2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.868 5.278 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.688 6.565 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.991 6.769 0.777 1.00 0.00 H new ATOM 1129 N ASP A 73 0.452 7.076 6.584 1.00 0.00 N ATOM 1130 CA ASP A 73 0.524 7.958 7.736 1.00 0.00 C ATOM 1131 C ASP A 73 -0.486 9.095 7.566 1.00 0.00 C ATOM 1132 O ASP A 73 -0.906 9.395 6.450 1.00 0.00 O ATOM 1133 CB ASP A 73 1.916 8.579 7.869 1.00 0.00 C ATOM 1134 CG ASP A 73 3.069 7.574 7.923 1.00 0.00 C ATOM 1135 OD1 ASP A 73 3.339 6.963 6.866 1.00 0.00 O ATOM 1136 OD2 ASP A 73 3.654 7.440 9.019 1.00 0.00 O ATOM 0 H ASP A 73 1.353 6.729 6.255 1.00 0.00 H new ATOM 0 HA ASP A 73 0.306 7.368 8.626 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.079 9.252 7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.941 9.187 8.773 1.00 0.00 H new ATOM 1141 N PRO A 74 -0.856 9.713 8.720 1.00 0.00 N ATOM 1142 CA PRO A 74 -1.808 10.810 8.710 1.00 0.00 C ATOM 1143 C PRO A 74 -1.160 12.094 8.189 1.00 0.00 C ATOM 1144 O PRO A 74 -1.853 13.012 7.754 1.00 0.00 O ATOM 1145 CB PRO A 74 -2.288 10.927 10.147 1.00 0.00 C ATOM 1146 CG PRO A 74 -1.251 10.207 10.993 1.00 0.00 C ATOM 1147 CD PRO A 74 -0.378 9.384 10.060 1.00 0.00 C ATOM 0 HA PRO A 74 -2.647 10.633 8.037 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.378 11.972 10.445 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.273 10.475 10.268 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.646 10.924 11.548 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.737 9.564 11.727 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.676 9.637 10.178 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.475 8.318 10.264 1.00 0.00 H new ATOM 1155 N PHE A 75 0.164 12.118 8.252 1.00 0.00 N ATOM 1156 CA PHE A 75 0.914 13.275 7.792 1.00 0.00 C ATOM 1157 C PHE A 75 1.233 13.164 6.300 1.00 0.00 C ATOM 1158 O PHE A 75 1.345 14.175 5.608 1.00 0.00 O ATOM 1159 CB PHE A 75 2.224 13.301 8.582 1.00 0.00 C ATOM 1160 CG PHE A 75 2.290 14.403 9.641 1.00 0.00 C ATOM 1161 CD1 PHE A 75 2.740 15.642 9.307 1.00 0.00 C ATOM 1162 CD2 PHE A 75 1.898 14.143 10.918 1.00 0.00 C ATOM 1163 CE1 PHE A 75 2.801 16.664 10.291 1.00 0.00 C ATOM 1164 CE2 PHE A 75 1.959 15.165 11.901 1.00 0.00 C ATOM 1165 CZ PHE A 75 2.409 16.404 11.567 1.00 0.00 C ATOM 0 H PHE A 75 0.736 11.355 8.614 1.00 0.00 H new ATOM 0 HA PHE A 75 0.329 14.182 7.944 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.362 12.335 9.068 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.053 13.429 7.886 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.051 15.849 8.294 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.541 13.159 11.183 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.159 17.648 10.026 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.648 14.959 12.914 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.455 17.182 12.315 1.00 0.00 H new ATOM 1175 N SER A 76 1.372 11.926 5.848 1.00 0.00 N ATOM 1176 CA SER A 76 1.676 11.669 4.451 1.00 0.00 C ATOM 1177 C SER A 76 0.380 11.545 3.647 1.00 0.00 C ATOM 1178 O SER A 76 0.391 11.670 2.423 1.00 0.00 O ATOM 1179 CB SER A 76 2.521 10.403 4.294 1.00 0.00 C ATOM 1180 OG SER A 76 1.855 9.251 4.805 1.00 0.00 O ATOM 0 H SER A 76 1.280 11.090 6.425 1.00 0.00 H new ATOM 0 HA SER A 76 2.255 12.509 4.068 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.753 10.250 3.240 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.470 10.534 4.814 1.00 0.00 H new ATOM 0 HG SER A 76 2.321 8.443 4.504 1.00 0.00 H new ATOM 1186 N MET A 77 -0.705 11.302 4.367 1.00 0.00 N ATOM 1187 CA MET A 77 -2.006 11.160 3.736 1.00 0.00 C ATOM 1188 C MET A 77 -2.353 12.401 2.911 1.00 0.00 C ATOM 1189 O MET A 77 -2.742 12.289 1.749 1.00 0.00 O ATOM 1190 CB MET A 77 -3.074 10.946 4.811 1.00 0.00 C ATOM 1191 CG MET A 77 -3.910 9.700 4.512 1.00 0.00 C ATOM 1192 SD MET A 77 -5.253 10.115 3.412 1.00 0.00 S ATOM 1193 CE MET A 77 -4.521 9.669 1.846 1.00 0.00 C ATOM 0 H MET A 77 -0.710 11.200 5.382 1.00 0.00 H new ATOM 0 HA MET A 77 -1.973 10.300 3.067 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.598 10.844 5.786 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.723 11.820 4.863 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.283 8.931 4.060 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.304 9.285 5.440 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.224 9.063 1.275 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.282 10.573 1.285 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.609 9.098 2.020 1.00 0.00 H new ATOM 1203 N PRO A 78 -2.196 13.585 3.560 1.00 0.00 N ATOM 1204 CA PRO A 78 -2.488 14.846 2.898 1.00 0.00 C ATOM 1205 C PRO A 78 -1.389 15.208 1.898 1.00 0.00 C ATOM 1206 O PRO A 78 -1.450 16.255 1.255 1.00 0.00 O ATOM 1207 CB PRO A 78 -2.625 15.858 4.024 1.00 0.00 C ATOM 1208 CG PRO A 78 -1.948 15.231 5.232 1.00 0.00 C ATOM 1209 CD PRO A 78 -1.737 13.756 4.935 1.00 0.00 C ATOM 0 HA PRO A 78 -3.400 14.807 2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.153 16.804 3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.673 16.072 4.231 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.995 15.720 5.432 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.564 15.357 6.123 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.689 13.477 5.040 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.304 13.129 5.623 1.00 0.00 H new ATOM 1217 N TYR A 79 -0.409 14.322 1.798 1.00 0.00 N ATOM 1218 CA TYR A 79 0.703 14.536 0.887 1.00 0.00 C ATOM 1219 C TYR A 79 0.613 13.596 -0.318 1.00 0.00 C ATOM 1220 O TYR A 79 1.220 13.852 -1.356 1.00 0.00 O ATOM 1221 CB TYR A 79 1.968 14.207 1.681 1.00 0.00 C ATOM 1222 CG TYR A 79 2.490 15.369 2.528 1.00 0.00 C ATOM 1223 CD1 TYR A 79 1.751 15.829 3.599 1.00 0.00 C ATOM 1224 CD2 TYR A 79 3.701 15.957 2.222 1.00 0.00 C ATOM 1225 CE1 TYR A 79 2.242 16.922 4.397 1.00 0.00 C ATOM 1226 CE2 TYR A 79 4.192 17.051 3.020 1.00 0.00 C ATOM 1227 CZ TYR A 79 3.438 17.479 4.068 1.00 0.00 C ATOM 1228 OH TYR A 79 3.902 18.512 4.821 1.00 0.00 O ATOM 0 H TYR A 79 -0.362 13.455 2.333 1.00 0.00 H new ATOM 0 HA TYR A 79 0.700 15.559 0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.765 13.358 2.333 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.750 13.896 0.988 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.804 15.369 3.839 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.280 15.597 1.385 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.673 17.291 5.238 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.137 17.521 2.791 1.00 0.00 H new ATOM 0 HH TYR A 79 4.768 18.809 4.471 1.00 0.00 H new ATOM 1238 N VAL A 80 -0.150 12.528 -0.139 1.00 0.00 N ATOM 1239 CA VAL A 80 -0.328 11.549 -1.198 1.00 0.00 C ATOM 1240 C VAL A 80 -1.807 11.167 -1.291 1.00 0.00 C ATOM 1241 O VAL A 80 -2.144 9.986 -1.354 1.00 0.00 O ATOM 1242 CB VAL A 80 0.586 10.346 -0.957 1.00 0.00 C ATOM 1243 CG1 VAL A 80 2.059 10.757 -1.009 1.00 0.00 C ATOM 1244 CG2 VAL A 80 0.254 9.662 0.371 1.00 0.00 C ATOM 0 H VAL A 80 -0.652 12.319 0.724 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.040 11.971 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 80 0.411 9.627 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.687 9.883 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.285 11.177 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.256 11.504 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.918 8.810 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.387 10.371 1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.780 9.317 0.354 1.00 0.00 H new ATOM 1254 N ASN A 81 -2.650 12.190 -1.297 1.00 0.00 N ATOM 1255 CA ASN A 81 -4.084 11.976 -1.381 1.00 0.00 C ATOM 1256 C ASN A 81 -4.548 12.220 -2.819 1.00 0.00 C ATOM 1257 O ASN A 81 -4.078 13.147 -3.477 1.00 0.00 O ATOM 1258 CB ASN A 81 -4.840 12.945 -0.470 1.00 0.00 C ATOM 1259 CG ASN A 81 -6.165 12.338 -0.004 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -6.978 11.879 -0.790 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -6.337 12.363 1.315 1.00 0.00 N ATOM 0 H ASN A 81 -2.367 13.169 -1.245 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.291 10.952 -1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.225 13.192 0.395 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.030 13.877 -1.002 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.190 11.983 1.725 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.616 12.762 1.916 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.465 11.373 -3.263 1.00 0.00 N ATOM 1269 CA GLY A 82 -5.997 11.485 -4.610 1.00 0.00 C ATOM 1270 C GLY A 82 -4.870 11.614 -5.637 1.00 0.00 C ATOM 1271 O GLY A 82 -4.784 12.614 -6.347 1.00 0.00 O ATOM 0 H GLY A 82 -5.853 10.606 -2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.604 10.609 -4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.653 12.353 -4.674 1.00 0.00 H new ATOM 1275 N ALA A 83 -4.033 10.587 -5.681 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.915 10.573 -6.609 1.00 0.00 C ATOM 1277 C ALA A 83 -2.548 9.124 -6.936 1.00 0.00 C ATOM 1278 O ALA A 83 -2.868 8.212 -6.176 1.00 0.00 O ATOM 1279 CB ALA A 83 -1.742 11.350 -6.007 1.00 0.00 C ATOM 0 H ALA A 83 -4.107 9.759 -5.089 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.186 11.064 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.903 11.340 -6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.046 12.380 -5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.441 10.885 -5.069 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.881 8.958 -8.069 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.467 7.635 -8.506 1.00 0.00 C ATOM 1287 C GLU A 84 0.014 7.413 -8.194 1.00 0.00 C ATOM 1288 O GLU A 84 0.844 8.282 -8.455 1.00 0.00 O ATOM 1289 CB GLU A 84 -1.750 7.437 -9.997 1.00 0.00 C ATOM 1290 CG GLU A 84 -1.032 8.496 -10.836 1.00 0.00 C ATOM 1291 CD GLU A 84 -0.167 7.845 -11.918 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -0.750 7.463 -12.956 1.00 0.00 O ATOM 1293 OE2 GLU A 84 1.056 7.744 -11.682 1.00 0.00 O ATOM 0 H GLU A 84 -1.617 9.717 -8.697 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.048 6.893 -7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.425 6.443 -10.304 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.824 7.491 -10.178 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.765 9.156 -11.300 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.409 9.115 -10.191 1.00 0.00 H new ATOM 1300 N LEU A 85 0.300 6.243 -7.641 1.00 0.00 N ATOM 1301 CA LEU A 85 1.667 5.895 -7.291 1.00 0.00 C ATOM 1302 C LEU A 85 2.075 4.628 -8.045 1.00 0.00 C ATOM 1303 O LEU A 85 1.624 3.533 -7.715 1.00 0.00 O ATOM 1304 CB LEU A 85 1.819 5.784 -5.773 1.00 0.00 C ATOM 1305 CG LEU A 85 2.783 4.706 -5.273 1.00 0.00 C ATOM 1306 CD1 LEU A 85 4.194 4.936 -5.819 1.00 0.00 C ATOM 1307 CD2 LEU A 85 2.766 4.621 -3.746 1.00 0.00 C ATOM 0 H LEU A 85 -0.391 5.524 -7.427 1.00 0.00 H new ATOM 0 HA LEU A 85 2.353 6.684 -7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.153 6.748 -5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.836 5.593 -5.342 1.00 0.00 H new ATOM 0 HG LEU A 85 2.444 3.742 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.859 4.156 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.172 4.907 -6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.557 5.909 -5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.460 3.847 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.066 5.580 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.760 4.375 -3.406 1.00 0.00 H new ATOM 1319 N ASP A 86 2.925 4.820 -9.044 1.00 0.00 N ATOM 1320 CA ASP A 86 3.399 3.706 -9.847 1.00 0.00 C ATOM 1321 C ASP A 86 4.771 3.262 -9.337 1.00 0.00 C ATOM 1322 O ASP A 86 5.783 3.895 -9.635 1.00 0.00 O ATOM 1323 CB ASP A 86 3.548 4.110 -11.315 1.00 0.00 C ATOM 1324 CG ASP A 86 3.143 3.035 -12.326 1.00 0.00 C ATOM 1325 OD1 ASP A 86 3.525 1.867 -12.097 1.00 0.00 O ATOM 1326 OD2 ASP A 86 2.460 3.406 -13.305 1.00 0.00 O ATOM 0 H ASP A 86 3.297 5.730 -9.315 1.00 0.00 H new ATOM 0 HA ASP A 86 2.671 2.899 -9.767 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.946 5.001 -11.494 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.587 4.385 -11.497 1.00 0.00 H new ATOM 1331 N TYR A 87 4.762 2.177 -8.576 1.00 0.00 N ATOM 1332 CA TYR A 87 5.993 1.641 -8.022 1.00 0.00 C ATOM 1333 C TYR A 87 6.686 0.712 -9.021 1.00 0.00 C ATOM 1334 O TYR A 87 6.190 -0.376 -9.309 1.00 0.00 O ATOM 1335 CB TYR A 87 5.584 0.832 -6.790 1.00 0.00 C ATOM 1336 CG TYR A 87 6.762 0.227 -6.023 1.00 0.00 C ATOM 1337 CD1 TYR A 87 8.005 0.823 -6.086 1.00 0.00 C ATOM 1338 CD2 TYR A 87 6.581 -0.914 -5.268 1.00 0.00 C ATOM 1339 CE1 TYR A 87 9.114 0.254 -5.364 1.00 0.00 C ATOM 1340 CE2 TYR A 87 7.689 -1.482 -4.546 1.00 0.00 C ATOM 1341 CZ TYR A 87 8.901 -0.870 -4.630 1.00 0.00 C ATOM 1342 OH TYR A 87 9.948 -1.408 -3.948 1.00 0.00 O ATOM 0 H TYR A 87 3.921 1.655 -8.330 1.00 0.00 H new ATOM 0 HA TYR A 87 6.688 2.446 -7.782 1.00 0.00 H new ATOM 0 HB2 TYR A 87 5.018 1.476 -6.117 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.915 0.029 -7.101 1.00 0.00 H new ATOM 0 HD1 TYR A 87 8.146 1.716 -6.677 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.608 -1.381 -5.219 1.00 0.00 H new ATOM 0 HE1 TYR A 87 10.092 0.710 -5.405 1.00 0.00 H new ATOM 0 HE2 TYR A 87 7.561 -2.374 -3.951 1.00 0.00 H new ATOM 0 HH TYR A 87 10.726 -0.816 -4.023 1.00 0.00 H new ATOM 1352 N VAL A 88 7.822 1.175 -9.521 1.00 0.00 N ATOM 1353 CA VAL A 88 8.588 0.399 -10.482 1.00 0.00 C ATOM 1354 C VAL A 88 9.251 -0.779 -9.766 1.00 0.00 C ATOM 1355 O VAL A 88 9.626 -0.670 -8.600 1.00 0.00 O ATOM 1356 CB VAL A 88 9.590 1.302 -11.203 1.00 0.00 C ATOM 1357 CG1 VAL A 88 10.428 0.502 -12.203 1.00 0.00 C ATOM 1358 CG2 VAL A 88 8.881 2.469 -11.892 1.00 0.00 C ATOM 0 H VAL A 88 8.231 2.078 -9.279 1.00 0.00 H new ATOM 0 HA VAL A 88 7.933 -0.014 -11.249 1.00 0.00 H new ATOM 0 HB VAL A 88 10.266 1.716 -10.455 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.132 1.168 -12.702 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.977 -0.278 -11.676 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.772 0.046 -12.945 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.617 3.095 -12.397 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.171 2.083 -12.623 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.349 3.062 -11.148 1.00 0.00 H new ATOM 1447 N GLY A 95 11.780 1.240 -8.431 1.00 0.00 N ATOM 1448 CA GLY A 95 11.802 2.693 -8.444 1.00 0.00 C ATOM 1449 C GLY A 95 10.432 3.264 -8.072 1.00 0.00 C ATOM 1450 O GLY A 95 9.459 3.079 -8.801 1.00 0.00 O ATOM 0 HA2 GLY A 95 12.554 3.055 -7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.092 3.047 -9.433 1.00 0.00 H new ATOM 1454 N PHE A 96 10.400 3.949 -6.938 1.00 0.00 N ATOM 1455 CA PHE A 96 9.165 4.549 -6.460 1.00 0.00 C ATOM 1456 C PHE A 96 8.839 5.824 -7.240 1.00 0.00 C ATOM 1457 O PHE A 96 9.626 6.769 -7.249 1.00 0.00 O ATOM 1458 CB PHE A 96 9.382 4.906 -4.988 1.00 0.00 C ATOM 1459 CG PHE A 96 10.182 3.862 -4.206 1.00 0.00 C ATOM 1460 CD1 PHE A 96 9.666 2.620 -4.006 1.00 0.00 C ATOM 1461 CD2 PHE A 96 11.409 4.177 -3.711 1.00 0.00 C ATOM 1462 CE1 PHE A 96 10.409 1.651 -3.280 1.00 0.00 C ATOM 1463 CE2 PHE A 96 12.151 3.209 -2.985 1.00 0.00 C ATOM 1464 CZ PHE A 96 11.636 1.966 -2.785 1.00 0.00 C ATOM 0 H PHE A 96 11.209 4.102 -6.336 1.00 0.00 H new ATOM 0 HA PHE A 96 8.337 3.853 -6.591 1.00 0.00 H new ATOM 0 HB2 PHE A 96 9.899 5.864 -4.929 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.411 5.038 -4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.692 2.370 -4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 96 11.819 5.164 -3.870 1.00 0.00 H new ATOM 0 HE1 PHE A 96 10.000 0.664 -3.121 1.00 0.00 H new ATOM 0 HE2 PHE A 96 13.125 3.459 -2.591 1.00 0.00 H new ATOM 0 HZ PHE A 96 12.201 1.229 -2.233 1.00 0.00 H new ATOM 1474 N THR A 97 7.676 5.810 -7.875 1.00 0.00 N ATOM 1475 CA THR A 97 7.235 6.954 -8.655 1.00 0.00 C ATOM 1476 C THR A 97 5.810 7.348 -8.264 1.00 0.00 C ATOM 1477 O THR A 97 4.909 6.511 -8.260 1.00 0.00 O ATOM 1478 CB THR A 97 7.384 6.601 -10.136 1.00 0.00 C ATOM 1479 OG1 THR A 97 8.781 6.727 -10.385 1.00 0.00 O ATOM 1480 CG2 THR A 97 6.745 7.646 -11.054 1.00 0.00 C ATOM 0 H THR A 97 7.026 5.024 -7.865 1.00 0.00 H new ATOM 0 HA THR A 97 7.848 7.832 -8.452 1.00 0.00 H new ATOM 0 HB THR A 97 6.931 5.627 -10.324 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.967 6.514 -11.323 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.879 7.347 -12.094 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.680 7.722 -10.833 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.220 8.613 -10.890 1.00 0.00 H new ATOM 1488 N ILE A 98 5.650 8.624 -7.945 1.00 0.00 N ATOM 1489 CA ILE A 98 4.349 9.141 -7.554 1.00 0.00 C ATOM 1490 C ILE A 98 4.001 10.349 -8.426 1.00 0.00 C ATOM 1491 O ILE A 98 4.754 11.320 -8.476 1.00 0.00 O ATOM 1492 CB ILE A 98 4.320 9.437 -6.053 1.00 0.00 C ATOM 1493 CG1 ILE A 98 2.896 9.334 -5.502 1.00 0.00 C ATOM 1494 CG2 ILE A 98 4.955 10.795 -5.749 1.00 0.00 C ATOM 1495 CD1 ILE A 98 2.893 8.707 -4.106 1.00 0.00 C ATOM 0 H ILE A 98 6.400 9.315 -7.949 1.00 0.00 H new ATOM 0 HA ILE A 98 3.575 8.392 -7.723 1.00 0.00 H new ATOM 0 HB ILE A 98 4.918 8.681 -5.544 1.00 0.00 H new ATOM 0 HG12 ILE A 98 2.446 10.326 -5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.284 8.734 -6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.921 10.980 -4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.992 10.795 -6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.405 11.579 -6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.869 8.645 -3.737 1.00 0.00 H new ATOM 0 HD12 ILE A 98 3.322 7.706 -4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.486 9.322 -3.429 1.00 0.00 H new ATOM 1507 N ARG A 99 2.860 10.249 -9.092 1.00 0.00 N ATOM 1508 CA ARG A 99 2.403 11.321 -9.959 1.00 0.00 C ATOM 1509 C ARG A 99 1.298 12.125 -9.272 1.00 0.00 C ATOM 1510 O ARG A 99 0.332 11.554 -8.767 1.00 0.00 O ATOM 1511 CB ARG A 99 1.875 10.770 -11.285 1.00 0.00 C ATOM 1512 CG ARG A 99 2.157 11.740 -12.434 1.00 0.00 C ATOM 1513 CD ARG A 99 0.871 12.422 -12.904 1.00 0.00 C ATOM 1514 NE ARG A 99 0.891 12.581 -14.375 1.00 0.00 N ATOM 1515 CZ ARG A 99 -0.172 12.941 -15.106 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -1.347 13.182 -14.508 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -0.061 13.061 -16.437 1.00 0.00 N ATOM 0 H ARG A 99 2.238 9.442 -9.048 1.00 0.00 H new ATOM 0 HA ARG A 99 3.255 11.969 -10.162 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.342 9.807 -11.494 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.802 10.594 -11.208 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.875 12.494 -12.111 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.612 11.202 -13.265 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.006 11.830 -12.606 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.771 13.396 -12.426 1.00 0.00 H new ATOM 0 HE ARG A 99 1.769 12.405 -14.863 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.432 13.091 -13.496 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.156 13.456 -15.065 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.833 12.878 -16.893 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.871 13.335 -16.994 1.00 0.00 H new ATOM 1531 N ASN A 100 1.476 13.438 -9.275 1.00 0.00 N ATOM 1532 CA ASN A 100 0.505 14.326 -8.658 1.00 0.00 C ATOM 1533 C ASN A 100 0.028 15.349 -9.691 1.00 0.00 C ATOM 1534 O ASN A 100 0.792 15.759 -10.563 1.00 0.00 O ATOM 1535 CB ASN A 100 1.125 15.091 -7.487 1.00 0.00 C ATOM 1536 CG ASN A 100 1.026 14.283 -6.191 1.00 0.00 C ATOM 1537 OD1 ASN A 100 1.362 13.112 -6.133 1.00 0.00 O ATOM 1538 ND2 ASN A 100 0.548 14.972 -5.159 1.00 0.00 N ATOM 0 H ASN A 100 2.278 13.908 -9.695 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.324 13.719 -8.294 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.170 15.311 -7.704 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.617 16.048 -7.363 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.444 14.522 -4.250 1.00 0.00 H new ATOM 0 HD22 ASN A 100 0.285 15.951 -5.277 1.00 0.00 H new ATOM 1545 N PRO A 101 -1.267 15.742 -9.555 1.00 0.00 N ATOM 1546 CA PRO A 101 -1.856 16.709 -10.466 1.00 0.00 C ATOM 1547 C PRO A 101 -1.358 18.123 -10.160 1.00 0.00 C ATOM 1548 O PRO A 101 -2.140 18.991 -9.775 1.00 0.00 O ATOM 1549 CB PRO A 101 -3.357 16.556 -10.286 1.00 0.00 C ATOM 1550 CG PRO A 101 -3.547 15.846 -8.956 1.00 0.00 C ATOM 1551 CD PRO A 101 -2.202 15.278 -8.534 1.00 0.00 C ATOM 0 HA PRO A 101 -1.574 16.535 -11.504 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -3.851 17.528 -10.284 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.791 15.979 -11.102 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.921 16.540 -8.203 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.285 15.049 -9.051 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.915 15.633 -7.544 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.229 14.189 -8.487 1.00 0.00 H new