USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 795 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 10 ASN : amide:sc= -6.6 K(o=-14,f=-17!) USER MOD Set 1.2: A 46 HIS : no HE2:sc= -5.59! C(o=-14!,f=-24!) USER MOD Set 1.3: A 62 GLN : amide:sc= -2.05 K(o=-14,f=-17!) USER MOD Set 2.1: A 48 GLN : amide:sc= -2.57 K(o=-2.6,f=-8.4!) USER MOD Set 2.2: A 88 TYR OH : rot 48:sc= -0.0779 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -3.31 F(o=-4.9,f=-3.3) USER MOD Single : A 20 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.759) USER MOD Single : A 26 TYR OH : rot -130:sc= -2.06 USER MOD Single : A 28 ASN : amide:sc= -0.0318 K(o=-0.032,f=-0.71) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -102:sc= -1.08 (180deg=-3.99!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -2.74 X(o=-2.7,f=-2.4) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 111:sc= -1.11 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.1) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.0838 K(o=-0.084,f=-0.96) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N TYR A 8 -15.421 1.415 -1.342 1.00 0.00 N ATOM 122 CA TYR A 8 -14.128 0.863 -1.685 1.00 0.00 C ATOM 123 C TYR A 8 -14.050 -0.596 -1.323 1.00 0.00 C ATOM 124 O TYR A 8 -13.528 -0.959 -0.272 1.00 0.00 O ATOM 125 CB TYR A 8 -13.028 1.634 -0.964 1.00 0.00 C ATOM 126 CG TYR A 8 -12.808 3.025 -1.511 1.00 0.00 C ATOM 127 CD1 TYR A 8 -12.441 3.225 -2.835 1.00 0.00 C ATOM 128 CD2 TYR A 8 -12.974 4.144 -0.703 1.00 0.00 C ATOM 129 CE1 TYR A 8 -12.245 4.498 -3.339 1.00 0.00 C ATOM 130 CE2 TYR A 8 -12.782 5.421 -1.198 1.00 0.00 C ATOM 131 CZ TYR A 8 -12.416 5.586 -2.516 1.00 0.00 C ATOM 132 OH TYR A 8 -12.222 6.856 -3.017 1.00 0.00 O ATOM 0 HA TYR A 8 -13.992 0.956 -2.762 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -13.279 1.704 0.095 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -12.096 1.073 -1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.306 2.371 -3.483 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -13.258 4.014 0.331 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.960 4.636 -4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.918 6.280 -0.558 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.383 7.515 -2.310 1.00 0.00 H new ATOM 142 N ASP A 9 -14.565 -1.444 -2.205 1.00 0.00 N ATOM 143 CA ASP A 9 -14.552 -2.879 -1.981 1.00 0.00 C ATOM 144 C ASP A 9 -13.135 -3.431 -2.098 1.00 0.00 C ATOM 145 O ASP A 9 -12.833 -4.213 -3.005 1.00 0.00 O ATOM 146 CB ASP A 9 -15.470 -3.559 -2.993 1.00 0.00 C ATOM 147 CG ASP A 9 -15.201 -3.118 -4.417 1.00 0.00 C ATOM 148 OD1 ASP A 9 -14.219 -3.608 -5.015 1.00 0.00 O ATOM 149 OD2 ASP A 9 -15.970 -2.279 -4.935 1.00 0.00 O ATOM 0 H ASP A 9 -14.997 -1.159 -3.084 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.911 -3.083 -0.972 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.345 -4.639 -2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.508 -3.341 -2.740 1.00 0.00 H new ATOM 154 N ASN A 10 -12.266 -3.022 -1.184 1.00 0.00 N ATOM 155 CA ASN A 10 -10.882 -3.473 -1.184 1.00 0.00 C ATOM 156 C ASN A 10 -10.578 -4.308 0.033 1.00 0.00 C ATOM 157 O ASN A 10 -10.377 -5.521 -0.046 1.00 0.00 O ATOM 158 CB ASN A 10 -9.934 -2.273 -1.258 1.00 0.00 C ATOM 159 CG ASN A 10 -8.580 -2.639 -1.829 1.00 0.00 C ATOM 160 OD1 ASN A 10 -8.205 -3.810 -1.872 1.00 0.00 O ATOM 161 ND2 ASN A 10 -7.838 -1.631 -2.280 1.00 0.00 N ATOM 0 H ASN A 10 -12.497 -2.375 -0.430 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.731 -4.098 -2.064 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -10.386 -1.494 -1.873 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.803 -1.855 -0.260 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.918 -1.814 -2.681 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.189 -0.675 -2.224 1.00 0.00 H new ATOM 168 N ILE A 11 -10.546 -3.656 1.193 1.00 0.00 N ATOM 169 CA ILE A 11 -10.265 -4.342 2.444 1.00 0.00 C ATOM 170 C ILE A 11 -10.332 -3.364 3.621 1.00 0.00 C ATOM 171 O ILE A 11 -10.830 -2.248 3.478 1.00 0.00 O ATOM 172 CB ILE A 11 -8.886 -5.044 2.397 1.00 0.00 C ATOM 173 CG1 ILE A 11 -8.917 -6.347 3.204 1.00 0.00 C ATOM 174 CG2 ILE A 11 -7.773 -4.128 2.894 1.00 0.00 C ATOM 175 CD1 ILE A 11 -8.940 -7.588 2.343 1.00 0.00 C ATOM 0 H ILE A 11 -10.712 -2.654 1.289 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.027 -5.108 2.587 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.672 -5.285 1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.044 -6.382 3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.796 -6.345 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.820 -4.655 2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.727 -3.238 2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.975 -3.836 3.924 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.961 -8.472 2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.827 -7.575 1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.048 -7.613 1.717 1.00 0.00 H new ATOM 187 N ASN A 12 -9.830 -3.787 4.779 1.00 0.00 N ATOM 188 CA ASN A 12 -9.841 -2.941 5.967 1.00 0.00 C ATOM 189 C ASN A 12 -8.796 -1.834 5.864 1.00 0.00 C ATOM 190 O ASN A 12 -7.865 -1.761 6.669 1.00 0.00 O ATOM 191 CB ASN A 12 -9.589 -3.782 7.216 1.00 0.00 C ATOM 192 CG ASN A 12 -10.448 -3.351 8.391 1.00 0.00 C ATOM 193 OD1 ASN A 12 -11.140 -4.168 9.001 1.00 0.00 O ATOM 194 ND2 ASN A 12 -10.409 -2.064 8.709 1.00 0.00 N ATOM 0 H ASN A 12 -9.412 -4.707 4.919 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.824 -2.476 6.040 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.787 -4.830 6.990 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -8.537 -3.709 7.493 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.967 -1.714 9.488 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.821 -1.424 8.175 1.00 0.00 H new ATOM 201 N LEU A 13 -8.953 -0.972 4.869 1.00 0.00 N ATOM 202 CA LEU A 13 -8.027 0.119 4.655 1.00 0.00 C ATOM 203 C LEU A 13 -8.390 1.298 5.539 1.00 0.00 C ATOM 204 O LEU A 13 -8.582 2.414 5.062 1.00 0.00 O ATOM 205 CB LEU A 13 -8.034 0.534 3.185 1.00 0.00 C ATOM 206 CG LEU A 13 -7.243 -0.358 2.248 1.00 0.00 C ATOM 207 CD1 LEU A 13 -7.941 -0.479 0.902 1.00 0.00 C ATOM 208 CD2 LEU A 13 -5.823 0.139 2.071 1.00 0.00 C ATOM 0 H LEU A 13 -9.719 -1.012 4.197 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.024 -0.215 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.068 0.567 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.641 1.548 3.110 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.192 -1.348 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.356 -1.123 0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.932 -0.909 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.035 0.509 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.287 -0.525 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.839 1.146 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.320 0.154 3.038 1.00 0.00 H new ATOM 220 N ASP A 14 -8.459 1.039 6.836 1.00 0.00 N ATOM 221 CA ASP A 14 -8.775 2.068 7.809 1.00 0.00 C ATOM 222 C ASP A 14 -7.624 2.207 8.790 1.00 0.00 C ATOM 223 O ASP A 14 -7.127 3.303 9.041 1.00 0.00 O ATOM 224 CB ASP A 14 -10.068 1.724 8.552 1.00 0.00 C ATOM 225 CG ASP A 14 -10.887 2.960 8.881 1.00 0.00 C ATOM 226 OD1 ASP A 14 -10.699 3.994 8.205 1.00 0.00 O ATOM 227 OD2 ASP A 14 -11.713 2.888 9.811 1.00 0.00 O ATOM 0 H ASP A 14 -8.298 0.116 7.239 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.922 3.016 7.291 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.666 1.046 7.943 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.826 1.195 9.474 1.00 0.00 H new ATOM 232 N GLU A 15 -7.191 1.071 9.328 1.00 0.00 N ATOM 233 CA GLU A 15 -6.087 1.051 10.273 1.00 0.00 C ATOM 234 C GLU A 15 -4.814 1.582 9.620 1.00 0.00 C ATOM 235 O GLU A 15 -3.968 2.169 10.290 1.00 0.00 O ATOM 236 CB GLU A 15 -5.855 -0.347 10.793 1.00 0.00 C ATOM 237 CG GLU A 15 -6.973 -0.856 11.688 1.00 0.00 C ATOM 238 CD GLU A 15 -6.570 -2.080 12.487 1.00 0.00 C ATOM 239 OE1 GLU A 15 -6.694 -3.201 11.957 1.00 0.00 O ATOM 240 OE2 GLU A 15 -6.130 -1.914 13.643 1.00 0.00 O ATOM 0 H GLU A 15 -7.589 0.154 9.124 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.348 1.696 11.112 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.740 -1.026 9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.918 -0.368 11.349 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.275 -0.063 12.373 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.842 -1.096 11.076 1.00 0.00 H new ATOM 247 N ILE A 16 -4.688 1.374 8.314 1.00 0.00 N ATOM 248 CA ILE A 16 -3.517 1.839 7.590 1.00 0.00 C ATOM 249 C ILE A 16 -3.814 3.120 6.813 1.00 0.00 C ATOM 250 O ILE A 16 -2.998 3.572 6.006 1.00 0.00 O ATOM 251 CB ILE A 16 -3.003 0.762 6.626 1.00 0.00 C ATOM 252 CG1 ILE A 16 -4.068 0.428 5.581 1.00 0.00 C ATOM 253 CG2 ILE A 16 -2.595 -0.458 7.398 1.00 0.00 C ATOM 254 CD1 ILE A 16 -3.903 1.201 4.293 1.00 0.00 C ATOM 0 H ILE A 16 -5.379 0.890 7.741 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.746 2.052 8.331 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.129 1.141 6.097 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.032 -0.639 5.363 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.054 0.635 5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.231 -1.220 6.709 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.804 -0.196 8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.454 -0.846 7.946 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.690 0.917 3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.969 2.269 4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.931 0.975 3.855 1.00 0.00 H new ATOM 266 N LEU A 17 -4.977 3.711 7.072 1.00 0.00 N ATOM 267 CA LEU A 17 -5.378 4.946 6.409 1.00 0.00 C ATOM 268 C LEU A 17 -6.077 5.878 7.392 1.00 0.00 C ATOM 269 O LEU A 17 -6.748 6.826 6.993 1.00 0.00 O ATOM 270 CB LEU A 17 -6.295 4.645 5.225 1.00 0.00 C ATOM 271 CG LEU A 17 -5.590 4.496 3.880 1.00 0.00 C ATOM 272 CD1 LEU A 17 -6.577 4.086 2.802 1.00 0.00 C ATOM 273 CD2 LEU A 17 -4.887 5.791 3.498 1.00 0.00 C ATOM 0 H LEU A 17 -5.660 3.352 7.739 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.481 5.441 6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.842 3.726 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.032 5.444 5.144 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.838 3.712 3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.055 3.985 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.032 3.132 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.353 4.846 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.390 5.665 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.619 6.595 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.147 6.041 4.258 1.00 0.00 H new ATOM 285 N ALA A 18 -5.911 5.596 8.682 1.00 0.00 N ATOM 286 CA ALA A 18 -6.519 6.395 9.722 1.00 0.00 C ATOM 287 C ALA A 18 -5.465 7.128 10.545 1.00 0.00 C ATOM 288 O ALA A 18 -5.695 8.244 11.006 1.00 0.00 O ATOM 289 CB ALA A 18 -7.386 5.526 10.623 1.00 0.00 C ATOM 0 H ALA A 18 -5.355 4.813 9.025 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.150 7.143 9.243 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.836 6.143 11.400 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.172 5.058 10.030 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.771 4.753 11.084 1.00 0.00 H new ATOM 295 N ASN A 19 -4.306 6.491 10.725 1.00 0.00 N ATOM 296 CA ASN A 19 -3.231 7.099 11.498 1.00 0.00 C ATOM 297 C ASN A 19 -1.889 6.438 11.220 1.00 0.00 C ATOM 298 O ASN A 19 -1.774 5.209 11.193 1.00 0.00 O ATOM 299 CB ASN A 19 -3.531 7.029 12.995 1.00 0.00 C ATOM 300 CG ASN A 19 -4.358 5.815 13.375 1.00 0.00 C ATOM 301 OD1 ASN A 19 -3.973 4.651 12.868 1.00 0.00 O flip ATOM 302 ND2 ASN A 19 -5.333 5.923 14.119 1.00 0.00 N flip ATOM 0 H ASN A 19 -4.093 5.567 10.350 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.170 8.142 11.189 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.592 7.010 13.548 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.061 7.932 13.297 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.595 6.838 14.487 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.879 5.098 14.367 1.00 0.00 H new ATOM 309 N LYS A 20 -0.867 7.271 11.032 1.00 0.00 N ATOM 310 CA LYS A 20 0.461 6.784 10.765 1.00 0.00 C ATOM 311 C LYS A 20 0.886 5.736 11.791 1.00 0.00 C ATOM 312 O LYS A 20 1.767 4.928 11.526 1.00 0.00 O ATOM 313 CB LYS A 20 1.486 7.935 10.738 1.00 0.00 C ATOM 314 CG LYS A 20 1.059 9.195 11.484 1.00 0.00 C ATOM 315 CD LYS A 20 0.724 8.913 12.938 1.00 0.00 C ATOM 316 CE LYS A 20 1.899 8.287 13.667 1.00 0.00 C ATOM 317 NZ LYS A 20 1.594 8.022 15.101 1.00 0.00 N ATOM 0 H LYS A 20 -0.946 8.287 11.062 1.00 0.00 H new ATOM 0 HA LYS A 20 0.437 6.317 9.781 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.423 7.578 11.165 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.689 8.197 9.700 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.859 9.934 11.434 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.190 9.631 10.990 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.439 9.841 13.434 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.136 8.246 12.992 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.173 7.353 13.177 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.762 8.949 13.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.138 7.197 15.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.853 8.853 15.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.578 7.830 15.210 1.00 0.00 H new ATOM 331 N ARG A 21 0.254 5.740 12.959 1.00 0.00 N ATOM 332 CA ARG A 21 0.589 4.769 13.991 1.00 0.00 C ATOM 333 C ARG A 21 0.515 3.354 13.432 1.00 0.00 C ATOM 334 O ARG A 21 1.424 2.545 13.633 1.00 0.00 O ATOM 335 CB ARG A 21 -0.332 4.914 15.191 1.00 0.00 C ATOM 336 CG ARG A 21 -1.802 4.951 14.812 1.00 0.00 C ATOM 337 CD ARG A 21 -2.493 3.631 15.116 1.00 0.00 C ATOM 338 NE ARG A 21 -2.236 3.181 16.481 1.00 0.00 N ATOM 339 CZ ARG A 21 -2.784 3.739 17.562 1.00 0.00 C ATOM 340 NH1 ARG A 21 -3.620 4.764 17.437 1.00 0.00 N ATOM 341 NH2 ARG A 21 -2.501 3.265 18.767 1.00 0.00 N ATOM 0 H ARG A 21 -0.484 6.397 13.212 1.00 0.00 H new ATOM 0 HA ARG A 21 1.610 4.961 14.321 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.160 4.084 15.876 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.078 5.828 15.728 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.298 5.755 15.355 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.899 5.177 13.750 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.567 3.741 14.967 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.150 2.872 14.413 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.601 2.394 16.616 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.846 5.128 16.511 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.036 5.187 18.267 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.865 2.474 18.867 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.920 3.691 19.594 1.00 0.00 H new ATOM 355 N LEU A 22 -0.544 3.066 12.711 1.00 0.00 N ATOM 356 CA LEU A 22 -0.723 1.748 12.112 1.00 0.00 C ATOM 357 C LEU A 22 -0.265 1.757 10.666 1.00 0.00 C ATOM 358 O LEU A 22 0.396 0.839 10.208 1.00 0.00 O ATOM 359 CB LEU A 22 -2.182 1.311 12.202 1.00 0.00 C ATOM 360 CG LEU A 22 -2.532 0.477 13.436 1.00 0.00 C ATOM 361 CD1 LEU A 22 -3.959 0.756 13.880 1.00 0.00 C ATOM 362 CD2 LEU A 22 -2.345 -0.983 13.146 1.00 0.00 C ATOM 0 H LEU A 22 -1.300 3.723 12.520 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.114 1.034 12.666 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.813 2.200 12.192 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.429 0.734 11.310 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.861 0.757 14.248 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.191 0.154 14.759 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.064 1.813 14.126 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.647 0.501 13.074 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.597 -1.565 14.032 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.995 -1.276 12.322 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.306 -1.170 12.873 1.00 0.00 H new ATOM 374 N LEU A 23 -0.624 2.814 9.952 1.00 0.00 N ATOM 375 CA LEU A 23 -0.238 2.966 8.559 1.00 0.00 C ATOM 376 C LEU A 23 1.257 2.822 8.431 1.00 0.00 C ATOM 377 O LEU A 23 1.761 2.119 7.548 1.00 0.00 O ATOM 378 CB LEU A 23 -0.723 4.330 8.050 1.00 0.00 C ATOM 379 CG LEU A 23 0.060 4.966 6.908 1.00 0.00 C ATOM 380 CD1 LEU A 23 -0.807 5.193 5.694 1.00 0.00 C ATOM 381 CD2 LEU A 23 0.678 6.277 7.366 1.00 0.00 C ATOM 0 H LEU A 23 -1.185 3.583 10.318 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.700 2.190 7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.759 4.222 7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.719 5.025 8.890 1.00 0.00 H new ATOM 0 HG LEU A 23 0.852 4.274 6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.212 5.648 4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.204 4.239 5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.632 5.856 5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.235 6.724 6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.110 6.960 7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.353 6.089 8.201 1.00 0.00 H new ATOM 393 N VAL A 24 1.984 3.467 9.340 1.00 0.00 N ATOM 394 CA VAL A 24 3.433 3.394 9.343 1.00 0.00 C ATOM 395 C VAL A 24 3.890 2.032 9.843 1.00 0.00 C ATOM 396 O VAL A 24 4.738 1.393 9.226 1.00 0.00 O ATOM 397 CB VAL A 24 4.071 4.493 10.213 1.00 0.00 C ATOM 398 CG1 VAL A 24 5.590 4.386 10.184 1.00 0.00 C ATOM 399 CG2 VAL A 24 3.622 5.870 9.752 1.00 0.00 C ATOM 0 H VAL A 24 1.588 4.045 10.082 1.00 0.00 H new ATOM 0 HA VAL A 24 3.761 3.546 8.315 1.00 0.00 H new ATOM 0 HB VAL A 24 3.738 4.352 11.241 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.022 5.171 10.805 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.894 3.412 10.568 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.943 4.498 9.159 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.084 6.632 10.379 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.922 6.022 8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.537 5.944 9.830 1.00 0.00 H new ATOM 409 N ALA A 25 3.318 1.590 10.958 1.00 0.00 N ATOM 410 CA ALA A 25 3.669 0.295 11.526 1.00 0.00 C ATOM 411 C ALA A 25 3.643 -0.755 10.454 1.00 0.00 C ATOM 412 O ALA A 25 4.590 -1.533 10.313 1.00 0.00 O ATOM 413 CB ALA A 25 2.734 -0.039 12.672 1.00 0.00 C ATOM 0 H ALA A 25 2.613 2.107 11.483 1.00 0.00 H new ATOM 0 HA ALA A 25 4.681 0.331 11.929 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.004 -1.009 13.091 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.817 0.726 13.444 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.708 -0.074 12.306 1.00 0.00 H new ATOM 419 N TYR A 26 2.568 -0.779 9.677 1.00 0.00 N ATOM 420 CA TYR A 26 2.457 -1.750 8.598 1.00 0.00 C ATOM 421 C TYR A 26 3.528 -1.457 7.559 1.00 0.00 C ATOM 422 O TYR A 26 4.254 -2.358 7.136 1.00 0.00 O ATOM 423 CB TYR A 26 1.075 -1.716 7.943 1.00 0.00 C ATOM 424 CG TYR A 26 0.794 -2.948 7.113 1.00 0.00 C ATOM 425 CD1 TYR A 26 0.918 -4.217 7.660 1.00 0.00 C ATOM 426 CD2 TYR A 26 0.424 -2.843 5.777 1.00 0.00 C ATOM 427 CE1 TYR A 26 0.680 -5.347 6.902 1.00 0.00 C ATOM 428 CE2 TYR A 26 0.180 -3.968 5.013 1.00 0.00 C ATOM 429 CZ TYR A 26 0.310 -5.216 5.581 1.00 0.00 C ATOM 430 OH TYR A 26 0.078 -6.341 4.822 1.00 0.00 O ATOM 0 H TYR A 26 1.772 -0.148 9.771 1.00 0.00 H new ATOM 0 HA TYR A 26 2.596 -2.747 9.017 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.313 -1.622 8.716 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.998 -0.831 7.311 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.205 -4.323 8.696 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.326 -1.865 5.329 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.783 -6.328 7.342 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.111 -3.869 3.978 1.00 0.00 H new ATOM 0 HH TYR A 26 0.577 -6.277 3.981 1.00 0.00 H new ATOM 440 N VAL A 27 3.636 -0.191 7.175 1.00 0.00 N ATOM 441 CA VAL A 27 4.644 0.198 6.201 1.00 0.00 C ATOM 442 C VAL A 27 6.025 -0.239 6.651 1.00 0.00 C ATOM 443 O VAL A 27 6.833 -0.688 5.840 1.00 0.00 O ATOM 444 CB VAL A 27 4.640 1.729 5.995 1.00 0.00 C ATOM 445 CG1 VAL A 27 5.832 2.169 5.151 1.00 0.00 C ATOM 446 CG2 VAL A 27 3.339 2.173 5.349 1.00 0.00 C ATOM 0 H VAL A 27 3.049 0.570 7.516 1.00 0.00 H new ATOM 0 HA VAL A 27 4.401 -0.294 5.259 1.00 0.00 H new ATOM 0 HB VAL A 27 4.724 2.204 6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.806 3.251 5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.757 1.886 5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.786 1.685 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.352 3.254 5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.228 1.685 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.502 1.899 5.991 1.00 0.00 H new ATOM 456 N ASN A 28 6.292 -0.143 7.954 1.00 0.00 N ATOM 457 CA ASN A 28 7.571 -0.576 8.492 1.00 0.00 C ATOM 458 C ASN A 28 7.640 -2.091 8.458 1.00 0.00 C ATOM 459 O ASN A 28 8.710 -2.673 8.265 1.00 0.00 O ATOM 460 CB ASN A 28 7.759 -0.070 9.922 1.00 0.00 C ATOM 461 CG ASN A 28 8.439 1.266 9.967 1.00 0.00 C ATOM 462 OD1 ASN A 28 8.392 2.033 9.004 1.00 0.00 O ATOM 463 ND2 ASN A 28 9.081 1.569 11.092 1.00 0.00 N ATOM 0 H ASN A 28 5.642 0.228 8.647 1.00 0.00 H new ATOM 0 HA ASN A 28 8.372 -0.160 7.881 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.787 0.003 10.410 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.346 -0.794 10.487 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.559 2.466 11.181 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.095 0.905 11.866 1.00 0.00 H new ATOM 470 N CYS A 29 6.486 -2.726 8.619 1.00 0.00 N ATOM 471 CA CYS A 29 6.404 -4.174 8.583 1.00 0.00 C ATOM 472 C CYS A 29 6.755 -4.670 7.189 1.00 0.00 C ATOM 473 O CYS A 29 7.354 -5.730 7.025 1.00 0.00 O ATOM 474 CB CYS A 29 5.005 -4.643 8.966 1.00 0.00 C ATOM 475 SG CYS A 29 4.950 -6.351 9.595 1.00 0.00 S ATOM 0 H CYS A 29 5.594 -2.257 8.776 1.00 0.00 H new ATOM 0 HA CYS A 29 7.113 -4.583 9.303 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.602 -3.973 9.725 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.354 -4.565 8.095 1.00 0.00 H new ATOM 480 N VAL A 30 6.381 -3.883 6.180 1.00 0.00 N ATOM 481 CA VAL A 30 6.669 -4.235 4.797 1.00 0.00 C ATOM 482 C VAL A 30 8.151 -4.545 4.630 1.00 0.00 C ATOM 483 O VAL A 30 8.534 -5.369 3.800 1.00 0.00 O ATOM 484 CB VAL A 30 6.268 -3.106 3.827 1.00 0.00 C ATOM 485 CG1 VAL A 30 6.472 -3.537 2.384 1.00 0.00 C ATOM 486 CG2 VAL A 30 4.823 -2.695 4.067 1.00 0.00 C ATOM 0 H VAL A 30 5.880 -3.002 6.297 1.00 0.00 H new ATOM 0 HA VAL A 30 6.079 -5.119 4.555 1.00 0.00 H new ATOM 0 HB VAL A 30 6.909 -2.245 4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.183 -2.725 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.522 -3.783 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.858 -4.413 2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.552 -1.897 3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.169 -3.552 3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.711 -2.341 5.092 1.00 0.00 H new ATOM 496 N MET A 31 8.982 -3.895 5.446 1.00 0.00 N ATOM 497 CA MET A 31 10.415 -4.119 5.402 1.00 0.00 C ATOM 498 C MET A 31 10.759 -5.476 6.003 1.00 0.00 C ATOM 499 O MET A 31 11.416 -6.296 5.362 1.00 0.00 O ATOM 500 CB MET A 31 11.150 -3.006 6.156 1.00 0.00 C ATOM 501 CG MET A 31 12.421 -2.539 5.466 1.00 0.00 C ATOM 502 SD MET A 31 13.910 -3.259 6.188 1.00 0.00 S ATOM 503 CE MET A 31 15.087 -2.996 4.862 1.00 0.00 C ATOM 0 H MET A 31 8.682 -3.212 6.141 1.00 0.00 H new ATOM 0 HA MET A 31 10.735 -4.108 4.360 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.479 -2.156 6.276 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.399 -3.360 7.157 1.00 0.00 H new ATOM 0 HG2 MET A 31 12.372 -2.799 4.409 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.483 -1.452 5.524 1.00 0.00 H new ATOM 0 HE1 MET A 31 16.060 -3.389 5.156 1.00 0.00 H new ATOM 0 HE2 MET A 31 14.745 -3.510 3.964 1.00 0.00 H new ATOM 0 HE3 MET A 31 15.173 -1.929 4.658 1.00 0.00 H new ATOM 513 N GLU A 32 10.292 -5.702 7.234 1.00 0.00 N ATOM 514 CA GLU A 32 10.523 -6.966 7.951 1.00 0.00 C ATOM 515 C GLU A 32 10.387 -6.762 9.460 1.00 0.00 C ATOM 516 O GLU A 32 11.385 -6.586 10.161 1.00 0.00 O ATOM 517 CB GLU A 32 11.907 -7.544 7.630 1.00 0.00 C ATOM 518 CG GLU A 32 12.352 -8.649 8.576 1.00 0.00 C ATOM 519 CD GLU A 32 13.323 -9.618 7.928 1.00 0.00 C ATOM 520 OE1 GLU A 32 12.858 -10.598 7.309 1.00 0.00 O ATOM 521 OE2 GLU A 32 14.546 -9.396 8.038 1.00 0.00 O ATOM 0 H GLU A 32 9.746 -5.021 7.762 1.00 0.00 H new ATOM 0 HA GLU A 32 9.766 -7.676 7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.899 -7.933 6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.641 -6.739 7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.821 -8.204 9.454 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.477 -9.197 8.925 1.00 0.00 H new ATOM 528 N ARG A 33 9.156 -6.792 9.954 1.00 0.00 N ATOM 529 CA ARG A 33 8.899 -6.617 11.376 1.00 0.00 C ATOM 530 C ARG A 33 8.304 -7.880 11.993 1.00 0.00 C ATOM 531 O ARG A 33 8.103 -7.952 13.206 1.00 0.00 O ATOM 532 CB ARG A 33 7.953 -5.441 11.595 1.00 0.00 C ATOM 533 CG ARG A 33 8.603 -4.086 11.383 1.00 0.00 C ATOM 534 CD ARG A 33 9.648 -3.795 12.451 1.00 0.00 C ATOM 535 NE ARG A 33 10.976 -4.264 12.056 1.00 0.00 N ATOM 536 CZ ARG A 33 12.019 -4.314 12.880 1.00 0.00 C ATOM 537 NH1 ARG A 33 11.895 -3.923 14.142 1.00 0.00 N ATOM 538 NH2 ARG A 33 13.189 -4.752 12.443 1.00 0.00 N ATOM 0 H ARG A 33 8.319 -6.936 9.389 1.00 0.00 H new ATOM 0 HA ARG A 33 9.851 -6.415 11.866 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.105 -5.537 10.917 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.557 -5.489 12.609 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.069 -4.055 10.398 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.839 -3.309 11.398 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.684 -2.722 12.642 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.356 -4.275 13.385 1.00 0.00 H new ATOM 0 HE ARG A 33 11.110 -4.571 11.092 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.997 -3.582 14.484 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.698 -3.963 14.770 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.292 -5.052 11.473 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.988 -4.790 13.076 1.00 0.00 H new ATOM 552 N GLY A 34 8.023 -8.879 11.159 1.00 0.00 N ATOM 553 CA GLY A 34 7.451 -10.120 11.651 1.00 0.00 C ATOM 554 C GLY A 34 6.125 -9.916 12.360 1.00 0.00 C ATOM 555 O GLY A 34 5.809 -8.807 12.793 1.00 0.00 O ATOM 0 H GLY A 34 8.181 -8.850 10.152 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.309 -10.806 10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.155 -10.593 12.336 1.00 0.00 H new ATOM 559 N LYS A 35 5.346 -10.986 12.478 1.00 0.00 N ATOM 560 CA LYS A 35 4.044 -10.929 13.138 1.00 0.00 C ATOM 561 C LYS A 35 3.060 -10.085 12.333 1.00 0.00 C ATOM 562 O LYS A 35 2.110 -10.612 11.756 1.00 0.00 O ATOM 563 CB LYS A 35 4.185 -10.366 14.559 1.00 0.00 C ATOM 564 CG LYS A 35 3.174 -10.938 15.539 1.00 0.00 C ATOM 565 CD LYS A 35 1.757 -10.519 15.190 1.00 0.00 C ATOM 566 CE LYS A 35 1.610 -9.010 15.175 1.00 0.00 C ATOM 567 NZ LYS A 35 0.188 -8.586 15.023 1.00 0.00 N ATOM 0 H LYS A 35 5.595 -11.909 12.123 1.00 0.00 H new ATOM 0 HA LYS A 35 3.654 -11.945 13.200 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.191 -10.572 14.925 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.074 -9.282 14.525 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.242 -12.026 15.540 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.415 -10.603 16.548 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.488 -10.921 14.213 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.062 -10.946 15.913 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.014 -8.598 16.100 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.200 -8.597 14.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.017 -8.292 14.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.439 -9.381 15.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.007 -7.789 15.662 1.00 0.00 H new ATOM 581 N CYS A 36 3.292 -8.780 12.294 1.00 0.00 N ATOM 582 CA CYS A 36 2.420 -7.883 11.549 1.00 0.00 C ATOM 583 C CYS A 36 2.437 -8.221 10.061 1.00 0.00 C ATOM 584 O CYS A 36 1.534 -7.839 9.319 1.00 0.00 O ATOM 585 CB CYS A 36 2.835 -6.423 11.768 1.00 0.00 C ATOM 586 SG CYS A 36 4.623 -6.125 11.585 1.00 0.00 S ATOM 0 H CYS A 36 4.071 -8.321 12.766 1.00 0.00 H new ATOM 0 HA CYS A 36 1.403 -8.015 11.919 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.298 -5.793 11.059 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.526 -6.114 12.767 1.00 0.00 H new ATOM 591 N SER A 37 3.471 -8.944 9.632 1.00 0.00 N ATOM 592 CA SER A 37 3.602 -9.335 8.234 1.00 0.00 C ATOM 593 C SER A 37 2.464 -10.275 7.836 1.00 0.00 C ATOM 594 O SER A 37 1.634 -9.930 6.993 1.00 0.00 O ATOM 595 CB SER A 37 4.959 -10.001 7.983 1.00 0.00 C ATOM 596 OG SER A 37 4.901 -10.896 6.887 1.00 0.00 O ATOM 0 H SER A 37 4.228 -9.269 10.234 1.00 0.00 H new ATOM 0 HA SER A 37 3.543 -8.437 7.619 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.711 -9.236 7.790 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.273 -10.539 8.878 1.00 0.00 H new ATOM 0 HG SER A 37 5.782 -11.304 6.751 1.00 0.00 H new ATOM 602 N PRO A 38 2.400 -11.475 8.444 1.00 0.00 N ATOM 603 CA PRO A 38 1.345 -12.444 8.149 1.00 0.00 C ATOM 604 C PRO A 38 -0.020 -11.866 8.438 1.00 0.00 C ATOM 605 O PRO A 38 -0.966 -12.093 7.689 1.00 0.00 O ATOM 606 CB PRO A 38 1.646 -13.619 9.084 1.00 0.00 C ATOM 607 CG PRO A 38 2.548 -13.066 10.136 1.00 0.00 C ATOM 608 CD PRO A 38 3.332 -11.972 9.469 1.00 0.00 C ATOM 0 HA PRO A 38 1.330 -12.735 7.099 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.731 -14.018 9.521 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.125 -14.437 8.546 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.975 -12.679 10.978 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.210 -13.838 10.529 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.612 -11.189 10.174 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.255 -12.348 9.027 1.00 0.00 H new ATOM 616 N GLU A 39 -0.116 -11.107 9.524 1.00 0.00 N ATOM 617 CA GLU A 39 -1.374 -10.483 9.910 1.00 0.00 C ATOM 618 C GLU A 39 -1.861 -9.529 8.820 1.00 0.00 C ATOM 619 O GLU A 39 -3.044 -9.197 8.757 1.00 0.00 O ATOM 620 CB GLU A 39 -1.213 -9.727 11.229 1.00 0.00 C ATOM 621 CG GLU A 39 -0.834 -10.617 12.401 1.00 0.00 C ATOM 622 CD GLU A 39 -1.979 -11.496 12.860 1.00 0.00 C ATOM 623 OE1 GLU A 39 -2.939 -11.678 12.082 1.00 0.00 O ATOM 624 OE2 GLU A 39 -1.919 -12.000 14.001 1.00 0.00 O ATOM 0 H GLU A 39 0.663 -10.910 10.152 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.116 -11.270 10.042 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.450 -8.958 11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.147 -9.215 11.460 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.010 -11.245 12.117 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.503 -9.995 13.232 1.00 0.00 H new ATOM 631 N GLY A 40 -0.944 -9.098 7.958 1.00 0.00 N ATOM 632 CA GLY A 40 -1.295 -8.195 6.879 1.00 0.00 C ATOM 633 C GLY A 40 -1.873 -8.916 5.669 1.00 0.00 C ATOM 634 O GLY A 40 -2.081 -8.309 4.619 1.00 0.00 O ATOM 0 H GLY A 40 0.041 -9.361 7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.020 -7.467 7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.409 -7.638 6.575 1.00 0.00 H new ATOM 638 N LYS A 41 -2.121 -10.220 5.815 1.00 0.00 N ATOM 639 CA LYS A 41 -2.662 -11.030 4.733 1.00 0.00 C ATOM 640 C LYS A 41 -3.806 -10.324 4.013 1.00 0.00 C ATOM 641 O LYS A 41 -4.016 -10.532 2.821 1.00 0.00 O ATOM 642 CB LYS A 41 -3.135 -12.381 5.269 1.00 0.00 C ATOM 643 CG LYS A 41 -2.945 -13.525 4.286 1.00 0.00 C ATOM 644 CD LYS A 41 -4.223 -13.816 3.512 1.00 0.00 C ATOM 645 CE LYS A 41 -4.376 -15.300 3.229 1.00 0.00 C ATOM 646 NZ LYS A 41 -5.187 -15.549 2.002 1.00 0.00 N ATOM 0 H LYS A 41 -1.953 -10.735 6.679 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.862 -11.188 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.593 -12.608 6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.191 -12.309 5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.145 -13.277 3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.633 -14.420 4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.083 -13.462 4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.214 -13.264 2.572 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.391 -15.751 3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.849 -15.786 4.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.269 -16.573 1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.136 -15.141 2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.723 -15.107 1.183 1.00 0.00 H new ATOM 660 N GLU A 42 -4.541 -9.487 4.735 1.00 0.00 N ATOM 661 CA GLU A 42 -5.653 -8.757 4.141 1.00 0.00 C ATOM 662 C GLU A 42 -5.128 -7.759 3.120 1.00 0.00 C ATOM 663 O GLU A 42 -5.568 -7.748 1.971 1.00 0.00 O ATOM 664 CB GLU A 42 -6.460 -8.038 5.226 1.00 0.00 C ATOM 665 CG GLU A 42 -7.874 -8.577 5.385 1.00 0.00 C ATOM 666 CD GLU A 42 -8.802 -7.577 6.049 1.00 0.00 C ATOM 667 OE1 GLU A 42 -8.488 -6.368 6.031 1.00 0.00 O ATOM 668 OE2 GLU A 42 -9.845 -8.006 6.587 1.00 0.00 O ATOM 0 H GLU A 42 -4.389 -9.298 5.726 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.312 -9.464 3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.936 -8.128 6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.509 -6.975 4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.271 -8.842 4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.847 -9.492 5.977 1.00 0.00 H new ATOM 675 N LEU A 43 -4.176 -6.937 3.541 1.00 0.00 N ATOM 676 CA LEU A 43 -3.577 -5.956 2.655 1.00 0.00 C ATOM 677 C LEU A 43 -2.913 -6.650 1.471 1.00 0.00 C ATOM 678 O LEU A 43 -2.936 -6.143 0.349 1.00 0.00 O ATOM 679 CB LEU A 43 -2.565 -5.102 3.420 1.00 0.00 C ATOM 680 CG LEU A 43 -3.079 -4.571 4.760 1.00 0.00 C ATOM 681 CD1 LEU A 43 -2.584 -5.440 5.908 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.663 -3.118 4.958 1.00 0.00 C ATOM 0 H LEU A 43 -3.804 -6.932 4.491 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.360 -5.301 2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.667 -5.694 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.273 -4.258 2.795 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.168 -4.612 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.961 -5.045 6.852 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.942 -6.460 5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.494 -5.437 5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.038 -2.759 5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.575 -3.046 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.077 -2.508 4.155 1.00 0.00 H new ATOM 694 N LYS A 44 -2.346 -7.830 1.724 1.00 0.00 N ATOM 695 CA LYS A 44 -1.709 -8.599 0.665 1.00 0.00 C ATOM 696 C LYS A 44 -2.762 -9.115 -0.275 1.00 0.00 C ATOM 697 O LYS A 44 -2.640 -8.963 -1.490 1.00 0.00 O ATOM 698 CB LYS A 44 -0.900 -9.759 1.247 1.00 0.00 C ATOM 699 CG LYS A 44 0.172 -10.271 0.319 1.00 0.00 C ATOM 700 CD LYS A 44 0.566 -11.698 0.655 1.00 0.00 C ATOM 701 CE LYS A 44 2.046 -11.939 0.411 1.00 0.00 C ATOM 702 NZ LYS A 44 2.842 -11.834 1.664 1.00 0.00 N ATOM 0 H LYS A 44 -2.317 -8.267 2.645 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.021 -7.952 0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.438 -9.437 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.578 -10.577 1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.184 -10.224 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.048 -9.626 0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.330 -11.906 1.699 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.021 -12.390 0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.185 -12.928 -0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.416 -11.216 -0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.846 -12.005 1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.730 -10.882 2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.507 -12.541 2.349 1.00 0.00 H new ATOM 716 N GLU A 45 -3.818 -9.693 0.260 1.00 0.00 N ATOM 717 CA GLU A 45 -4.915 -10.188 -0.531 1.00 0.00 C ATOM 718 C GLU A 45 -5.564 -9.005 -1.233 1.00 0.00 C ATOM 719 O GLU A 45 -6.113 -9.133 -2.328 1.00 0.00 O ATOM 720 CB GLU A 45 -5.942 -10.922 0.313 1.00 0.00 C ATOM 721 CG GLU A 45 -6.531 -12.149 -0.338 1.00 0.00 C ATOM 722 CD GLU A 45 -7.948 -12.439 0.100 1.00 0.00 C ATOM 723 OE1 GLU A 45 -8.112 -13.163 1.105 1.00 0.00 O ATOM 724 OE2 GLU A 45 -8.894 -11.942 -0.527 1.00 0.00 O ATOM 0 H GLU A 45 -3.935 -9.831 1.264 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.531 -10.906 -1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.477 -11.214 1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.751 -10.233 0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.512 -12.022 -1.420 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.904 -13.010 -0.107 1.00 0.00 H new ATOM 731 N HIS A 46 -5.482 -7.844 -0.589 1.00 0.00 N ATOM 732 CA HIS A 46 -6.036 -6.614 -1.126 1.00 0.00 C ATOM 733 C HIS A 46 -5.329 -6.222 -2.422 1.00 0.00 C ATOM 734 O HIS A 46 -5.983 -5.997 -3.441 1.00 0.00 O ATOM 735 CB HIS A 46 -5.946 -5.490 -0.085 1.00 0.00 C ATOM 736 CG HIS A 46 -5.192 -4.272 -0.532 1.00 0.00 C ATOM 737 ND1 HIS A 46 -5.576 -3.506 -1.609 1.00 0.00 N ATOM 738 CD2 HIS A 46 -4.076 -3.689 -0.041 1.00 0.00 C ATOM 739 CE1 HIS A 46 -4.726 -2.506 -1.759 1.00 0.00 C ATOM 740 NE2 HIS A 46 -3.809 -2.593 -0.816 1.00 0.00 N ATOM 0 H HIS A 46 -5.029 -7.734 0.318 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.088 -6.779 -1.359 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.957 -5.191 0.194 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.471 -5.884 0.813 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -6.389 -3.683 -2.199 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.500 -4.026 0.808 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.774 -1.746 -2.525 1.00 0.00 H new ATOM 749 N LEU A 47 -3.990 -6.143 -2.397 1.00 0.00 N ATOM 750 CA LEU A 47 -3.244 -5.779 -3.607 1.00 0.00 C ATOM 751 C LEU A 47 -1.747 -5.584 -3.339 1.00 0.00 C ATOM 752 O LEU A 47 -1.238 -4.466 -3.394 1.00 0.00 O ATOM 753 CB LEU A 47 -3.831 -4.504 -4.230 1.00 0.00 C ATOM 754 CG LEU A 47 -4.336 -4.657 -5.667 1.00 0.00 C ATOM 755 CD1 LEU A 47 -5.847 -4.474 -5.727 1.00 0.00 C ATOM 756 CD2 LEU A 47 -3.639 -3.667 -6.589 1.00 0.00 C ATOM 0 H LEU A 47 -3.415 -6.322 -1.574 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.345 -6.611 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.656 -4.160 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.069 -3.724 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.100 -5.665 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.187 -4.586 -6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.330 -5.225 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.108 -3.479 -5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.012 -3.792 -7.606 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.841 -2.651 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.564 -3.848 -6.572 1.00 0.00 H new ATOM 768 N GLN A 48 -1.049 -6.681 -3.083 1.00 0.00 N ATOM 769 CA GLN A 48 0.363 -6.634 -2.846 1.00 0.00 C ATOM 770 C GLN A 48 1.066 -7.740 -3.631 1.00 0.00 C ATOM 771 O GLN A 48 2.204 -7.581 -4.071 1.00 0.00 O ATOM 772 CB GLN A 48 0.679 -6.764 -1.358 1.00 0.00 C ATOM 773 CG GLN A 48 -0.129 -5.836 -0.484 1.00 0.00 C ATOM 774 CD GLN A 48 0.431 -4.440 -0.393 1.00 0.00 C ATOM 775 OE1 GLN A 48 1.250 -4.148 0.458 1.00 0.00 O ATOM 776 NE2 GLN A 48 0.015 -3.565 -1.300 1.00 0.00 N ATOM 0 H GLN A 48 -1.454 -7.616 -3.037 1.00 0.00 H new ATOM 0 HA GLN A 48 0.729 -5.665 -3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.498 -7.793 -1.046 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.739 -6.565 -1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.147 -5.784 -0.870 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.190 -6.259 0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.673 -3.844 -2.000 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.383 -2.614 -1.298 1.00 0.00 H new ATOM 785 N ASP A 49 0.370 -8.860 -3.818 1.00 0.00 N ATOM 786 CA ASP A 49 0.909 -9.989 -4.564 1.00 0.00 C ATOM 787 C ASP A 49 0.432 -9.941 -6.012 1.00 0.00 C ATOM 788 O ASP A 49 1.120 -10.401 -6.925 1.00 0.00 O ATOM 789 CB ASP A 49 0.491 -11.312 -3.915 1.00 0.00 C ATOM 790 CG ASP A 49 1.509 -11.814 -2.913 1.00 0.00 C ATOM 791 OD1 ASP A 49 2.677 -11.373 -2.980 1.00 0.00 O ATOM 792 OD2 ASP A 49 1.140 -12.649 -2.059 1.00 0.00 O ATOM 0 H ASP A 49 -0.574 -9.007 -3.460 1.00 0.00 H new ATOM 0 HA ASP A 49 1.997 -9.924 -4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.470 -11.181 -3.417 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.348 -12.064 -4.691 1.00 0.00 H new ATOM 797 N ALA A 50 -0.726 -9.364 -6.215 1.00 0.00 N ATOM 798 CA ALA A 50 -1.305 -9.231 -7.548 1.00 0.00 C ATOM 799 C ALA A 50 -0.799 -7.968 -8.244 1.00 0.00 C ATOM 800 O ALA A 50 -1.249 -7.635 -9.337 1.00 0.00 O ATOM 801 CB ALA A 50 -2.820 -9.206 -7.458 1.00 0.00 C ATOM 0 H ALA A 50 -1.300 -8.971 -5.469 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.995 -10.092 -8.140 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.242 -9.106 -8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.173 -10.133 -7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.134 -8.361 -6.846 1.00 0.00 H new ATOM 807 N ILE A 51 0.107 -7.270 -7.589 1.00 0.00 N ATOM 808 CA ILE A 51 0.674 -6.034 -8.118 1.00 0.00 C ATOM 809 C ILE A 51 1.350 -6.251 -9.475 1.00 0.00 C ATOM 810 O ILE A 51 2.570 -6.160 -9.605 1.00 0.00 O ATOM 811 CB ILE A 51 1.678 -5.405 -7.123 1.00 0.00 C ATOM 812 CG1 ILE A 51 2.972 -6.240 -6.990 1.00 0.00 C ATOM 813 CG2 ILE A 51 1.023 -5.223 -5.763 1.00 0.00 C ATOM 814 CD1 ILE A 51 2.779 -7.739 -7.078 1.00 0.00 C ATOM 0 H ILE A 51 0.474 -7.538 -6.676 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.158 -5.344 -8.260 1.00 0.00 H new ATOM 0 HB ILE A 51 1.964 -4.431 -7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.667 -5.932 -7.771 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.442 -6.005 -6.035 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.739 -4.780 -5.071 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.158 -4.567 -5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.702 -6.192 -5.381 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.743 -8.237 -6.974 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.113 -8.068 -6.280 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.342 -7.994 -8.044 1.00 0.00 H new ATOM 940 N GLU A 60 -10.846 -3.740 -9.581 1.00 0.00 N ATOM 941 CA GLU A 60 -10.850 -2.335 -9.981 1.00 0.00 C ATOM 942 C GLU A 60 -10.983 -1.418 -8.769 1.00 0.00 C ATOM 943 O GLU A 60 -10.082 -0.630 -8.481 1.00 0.00 O ATOM 944 CB GLU A 60 -11.980 -2.056 -10.973 1.00 0.00 C ATOM 945 CG GLU A 60 -11.845 -0.726 -11.691 1.00 0.00 C ATOM 946 CD GLU A 60 -12.387 -0.767 -13.106 1.00 0.00 C ATOM 947 OE1 GLU A 60 -11.635 -1.171 -14.018 1.00 0.00 O ATOM 948 OE2 GLU A 60 -13.564 -0.398 -13.303 1.00 0.00 O ATOM 0 HA GLU A 60 -9.896 -2.129 -10.467 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.009 -2.857 -11.712 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.932 -2.078 -10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.373 0.042 -11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.794 -0.437 -11.717 1.00 0.00 H new ATOM 955 N ASN A 61 -12.108 -1.519 -8.063 1.00 0.00 N ATOM 956 CA ASN A 61 -12.340 -0.694 -6.883 1.00 0.00 C ATOM 957 C ASN A 61 -11.119 -0.695 -5.973 1.00 0.00 C ATOM 958 O ASN A 61 -10.675 0.337 -5.509 1.00 0.00 O ATOM 959 CB ASN A 61 -13.568 -1.192 -6.122 1.00 0.00 C ATOM 960 CG ASN A 61 -14.668 -0.148 -6.052 1.00 0.00 C ATOM 961 OD1 ASN A 61 -15.736 -0.313 -6.635 1.00 0.00 O ATOM 962 ND2 ASN A 61 -14.402 0.920 -5.336 1.00 0.00 N ATOM 0 H ASN A 61 -12.868 -2.161 -8.287 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.520 0.330 -7.212 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.953 -2.089 -6.606 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.275 -1.476 -5.111 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.099 1.660 -5.245 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.499 1.010 -4.871 1.00 0.00 H new ATOM 969 N GLN A 62 -10.565 -1.884 -5.737 1.00 0.00 N ATOM 970 CA GLN A 62 -9.381 -2.016 -4.898 1.00 0.00 C ATOM 971 C GLN A 62 -8.281 -1.085 -5.389 1.00 0.00 C ATOM 972 O GLN A 62 -7.514 -0.530 -4.595 1.00 0.00 O ATOM 973 CB GLN A 62 -8.886 -3.464 -4.898 1.00 0.00 C ATOM 974 CG GLN A 62 -9.991 -4.486 -4.690 1.00 0.00 C ATOM 975 CD GLN A 62 -9.492 -5.766 -4.052 1.00 0.00 C ATOM 976 OE1 GLN A 62 -8.466 -5.777 -3.378 1.00 0.00 O ATOM 977 NE2 GLN A 62 -10.221 -6.857 -4.260 1.00 0.00 N ATOM 0 H GLN A 62 -10.917 -2.764 -6.114 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.646 -1.739 -3.878 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.387 -3.668 -5.846 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.140 -3.584 -4.113 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.769 -4.051 -4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.450 -4.719 -5.651 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.067 -6.804 -4.827 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.934 -7.747 -3.853 1.00 0.00 H new ATOM 986 N GLU A 63 -8.225 -0.903 -6.702 1.00 0.00 N ATOM 987 CA GLU A 63 -7.237 -0.031 -7.309 1.00 0.00 C ATOM 988 C GLU A 63 -7.373 1.362 -6.749 1.00 0.00 C ATOM 989 O GLU A 63 -6.379 2.040 -6.493 1.00 0.00 O ATOM 990 CB GLU A 63 -7.418 -0.016 -8.824 1.00 0.00 C ATOM 991 CG GLU A 63 -6.112 0.090 -9.593 1.00 0.00 C ATOM 992 CD GLU A 63 -6.133 -0.652 -10.904 1.00 0.00 C ATOM 993 OE1 GLU A 63 -7.158 -0.582 -11.616 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.127 -1.324 -11.216 1.00 0.00 O ATOM 0 H GLU A 63 -8.856 -1.351 -7.366 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.239 -0.404 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.936 -0.925 -9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.059 0.822 -9.096 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.893 1.141 -9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.302 -0.299 -8.976 1.00 0.00 H new ATOM 1001 N LYS A 64 -8.617 1.793 -6.559 1.00 0.00 N ATOM 1002 CA LYS A 64 -8.887 3.117 -6.025 1.00 0.00 C ATOM 1003 C LYS A 64 -8.324 3.250 -4.614 1.00 0.00 C ATOM 1004 O LYS A 64 -7.459 4.085 -4.359 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.392 3.397 -6.022 1.00 0.00 C ATOM 1006 CG LYS A 64 -11.079 3.031 -7.328 1.00 0.00 C ATOM 1007 CD LYS A 64 -12.207 3.999 -7.648 1.00 0.00 C ATOM 1008 CE LYS A 64 -13.377 3.830 -6.691 1.00 0.00 C ATOM 1009 NZ LYS A 64 -14.682 4.058 -7.367 1.00 0.00 N ATOM 0 H LYS A 64 -9.450 1.243 -6.768 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.397 3.851 -6.665 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.856 2.840 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.556 4.455 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.351 3.037 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.474 2.017 -7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.836 5.022 -7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.547 3.838 -8.671 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.358 2.826 -6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.271 4.528 -5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.454 3.934 -6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.711 5.025 -7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.795 3.375 -8.143 1.00 0.00 H new ATOM 1023 N GLY A 65 -8.815 2.407 -3.707 1.00 0.00 N ATOM 1024 CA GLY A 65 -8.332 2.443 -2.337 1.00 0.00 C ATOM 1025 C GLY A 65 -6.825 2.329 -2.269 1.00 0.00 C ATOM 1026 O GLY A 65 -6.193 2.878 -1.369 1.00 0.00 O ATOM 0 H GLY A 65 -9.532 1.706 -3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.648 3.373 -1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.784 1.629 -1.771 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.249 1.623 -3.238 1.00 0.00 N ATOM 1031 CA ALA A 66 -4.810 1.450 -3.291 1.00 0.00 C ATOM 1032 C ALA A 66 -4.126 2.781 -3.555 1.00 0.00 C ATOM 1033 O ALA A 66 -3.377 3.277 -2.711 1.00 0.00 O ATOM 1034 CB ALA A 66 -4.431 0.429 -4.351 1.00 0.00 C ATOM 0 H ALA A 66 -6.759 1.165 -3.993 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.471 1.076 -2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.347 0.314 -4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.893 -0.530 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.781 0.769 -5.326 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.396 3.379 -4.718 1.00 0.00 N ATOM 1041 CA TYR A 67 -3.798 4.665 -5.041 1.00 0.00 C ATOM 1042 C TYR A 67 -4.049 5.636 -3.899 1.00 0.00 C ATOM 1043 O TYR A 67 -3.136 6.308 -3.426 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.354 5.227 -6.351 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.387 6.137 -7.088 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.646 7.102 -6.408 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -3.215 6.032 -8.461 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -1.770 7.931 -7.082 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -2.344 6.858 -9.140 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.621 7.805 -8.448 1.00 0.00 C ATOM 1051 OH TYR A 67 -0.749 8.626 -9.121 1.00 0.00 O ATOM 0 H TYR A 67 -5.013 2.998 -5.435 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.725 4.526 -5.175 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.627 4.398 -7.004 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.269 5.780 -6.139 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.758 7.203 -5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.775 5.288 -9.009 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.204 8.675 -6.542 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.229 6.763 -10.210 1.00 0.00 H new ATOM 0 HH TYR A 67 0.009 8.099 -9.450 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.294 5.674 -3.436 1.00 0.00 N ATOM 1062 CA ARG A 68 -5.660 6.534 -2.319 1.00 0.00 C ATOM 1063 C ARG A 68 -4.667 6.342 -1.181 1.00 0.00 C ATOM 1064 O ARG A 68 -4.254 7.303 -0.527 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.078 6.214 -1.842 1.00 0.00 C ATOM 1066 CG ARG A 68 -7.829 7.429 -1.314 1.00 0.00 C ATOM 1067 CD ARG A 68 -8.806 7.041 -0.221 1.00 0.00 C ATOM 1068 NE ARG A 68 -9.216 8.195 0.559 1.00 0.00 N ATOM 1069 CZ ARG A 68 -10.291 8.202 1.342 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -11.065 7.130 1.438 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -10.594 9.296 2.035 1.00 0.00 N ATOM 0 H ARG A 68 -6.063 5.122 -3.816 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.634 7.573 -2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.641 5.779 -2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.027 5.459 -1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.118 8.159 -0.927 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.366 7.910 -2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.683 6.570 -0.665 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.346 6.302 0.435 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.651 9.043 0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.839 6.288 0.908 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.887 7.147 2.042 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.003 10.124 1.964 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.417 9.307 2.637 1.00 0.00 H new ATOM 1085 N VAL A 69 -4.271 5.091 -0.964 1.00 0.00 N ATOM 1086 CA VAL A 69 -3.315 4.777 0.060 1.00 0.00 C ATOM 1087 C VAL A 69 -1.916 5.240 -0.300 1.00 0.00 C ATOM 1088 O VAL A 69 -1.126 5.619 0.547 1.00 0.00 O ATOM 1089 CB VAL A 69 -3.294 3.268 0.358 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -2.196 2.920 1.354 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -4.650 2.810 0.873 1.00 0.00 C ATOM 0 H VAL A 69 -4.606 4.285 -1.492 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.633 5.316 0.952 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.080 2.742 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.205 1.847 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.228 3.207 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.368 3.457 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.619 1.740 1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.892 3.349 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.412 3.012 0.121 1.00 0.00 H new ATOM 1101 N ILE A 70 -1.603 5.221 -1.593 1.00 0.00 N ATOM 1102 CA ILE A 70 -0.290 5.652 -2.037 1.00 0.00 C ATOM 1103 C ILE A 70 -0.176 7.168 -1.981 1.00 0.00 C ATOM 1104 O ILE A 70 0.863 7.710 -1.677 1.00 0.00 O ATOM 1105 CB ILE A 70 0.051 5.143 -3.453 1.00 0.00 C ATOM 1106 CG1 ILE A 70 1.562 5.177 -3.633 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.615 5.963 -4.546 1.00 0.00 C ATOM 1108 CD1 ILE A 70 2.189 3.812 -3.809 1.00 0.00 C ATOM 0 H ILE A 70 -2.231 4.917 -2.337 1.00 0.00 H new ATOM 0 HA ILE A 70 0.435 5.212 -1.352 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.330 4.126 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.801 5.790 -4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.010 5.663 -2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.340 5.561 -5.521 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.697 5.918 -4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.285 7.000 -4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.267 3.920 -3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.983 3.201 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.770 3.330 -4.692 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.281 7.846 -2.261 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.308 9.298 -2.224 1.00 0.00 C ATOM 1122 C GLU A 71 -1.299 9.768 -0.782 1.00 0.00 C ATOM 1123 O GLU A 71 -0.704 10.798 -0.459 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.539 9.837 -2.951 1.00 0.00 C ATOM 1125 CG GLU A 71 -3.850 9.321 -2.383 1.00 0.00 C ATOM 1126 CD GLU A 71 -5.060 9.946 -3.052 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.433 9.488 -4.152 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -5.634 10.891 -2.472 1.00 0.00 O ATOM 0 H GLU A 71 -2.168 7.412 -2.516 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.423 9.680 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.534 10.926 -2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.477 9.566 -4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.892 8.238 -2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.884 9.526 -1.313 1.00 0.00 H new ATOM 1135 N HIS A 72 -1.950 9.000 0.065 1.00 0.00 N ATOM 1136 CA HIS A 72 -1.990 9.343 1.476 1.00 0.00 C ATOM 1137 C HIS A 72 -0.605 9.176 2.086 1.00 0.00 C ATOM 1138 O HIS A 72 -0.103 10.068 2.763 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.010 8.474 2.216 1.00 0.00 C ATOM 1140 CG HIS A 72 -4.155 9.247 2.788 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -5.382 9.345 2.165 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -4.260 9.962 3.936 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -6.188 10.087 2.901 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -5.536 10.472 3.980 1.00 0.00 N ATOM 0 H HIS A 72 -2.451 8.149 -0.189 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.299 10.384 1.575 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.398 7.721 1.530 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.504 7.941 3.021 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -3.487 10.104 4.676 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.211 10.337 2.660 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.916 11.054 4.726 1.00 0.00 H new ATOM 1153 N LEU A 73 0.000 8.032 1.821 1.00 0.00 N ATOM 1154 CA LEU A 73 1.328 7.760 2.324 1.00 0.00 C ATOM 1155 C LEU A 73 2.326 8.728 1.696 1.00 0.00 C ATOM 1156 O LEU A 73 3.246 9.208 2.361 1.00 0.00 O ATOM 1157 CB LEU A 73 1.733 6.316 2.014 1.00 0.00 C ATOM 1158 CG LEU A 73 1.410 5.302 3.112 1.00 0.00 C ATOM 1159 CD1 LEU A 73 0.112 4.575 2.798 1.00 0.00 C ATOM 1160 CD2 LEU A 73 2.554 4.312 3.281 1.00 0.00 C ATOM 0 H LEU A 73 -0.407 7.282 1.263 1.00 0.00 H new ATOM 0 HA LEU A 73 1.328 7.895 3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.235 6.005 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.805 6.289 1.820 1.00 0.00 H new ATOM 0 HG LEU A 73 1.284 5.840 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.103 3.857 3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.702 5.297 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.210 4.050 1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.305 3.599 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.715 3.778 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.463 4.849 3.553 1.00 0.00 H new ATOM 1172 N ILE A 74 2.119 9.017 0.411 1.00 0.00 N ATOM 1173 CA ILE A 74 2.983 9.936 -0.294 1.00 0.00 C ATOM 1174 C ILE A 74 3.142 11.232 0.468 1.00 0.00 C ATOM 1175 O ILE A 74 4.259 11.650 0.776 1.00 0.00 O ATOM 1176 CB ILE A 74 2.425 10.219 -1.718 1.00 0.00 C ATOM 1177 CG1 ILE A 74 3.274 9.504 -2.784 1.00 0.00 C ATOM 1178 CG2 ILE A 74 2.361 11.717 -2.016 1.00 0.00 C ATOM 1179 CD1 ILE A 74 2.456 8.666 -3.748 1.00 0.00 C ATOM 0 H ILE A 74 1.363 8.626 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 74 3.965 9.471 -0.382 1.00 0.00 H new ATOM 0 HB ILE A 74 1.408 9.829 -1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.836 10.248 -3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 74 4.003 8.864 -2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.966 11.872 -3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.710 12.205 -1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.362 12.144 -1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.119 8.192 -4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.915 7.899 -3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.745 9.305 -4.272 1.00 0.00 H new ATOM 1191 N LYS A 75 2.019 11.858 0.804 1.00 0.00 N ATOM 1192 CA LYS A 75 2.035 13.092 1.555 1.00 0.00 C ATOM 1193 C LYS A 75 2.230 12.817 3.040 1.00 0.00 C ATOM 1194 O LYS A 75 2.757 13.655 3.772 1.00 0.00 O ATOM 1195 CB LYS A 75 0.735 13.855 1.321 1.00 0.00 C ATOM 1196 CG LYS A 75 -0.491 13.019 1.525 1.00 0.00 C ATOM 1197 CD LYS A 75 -1.555 13.782 2.303 1.00 0.00 C ATOM 1198 CE LYS A 75 -1.114 14.045 3.734 1.00 0.00 C ATOM 1199 NZ LYS A 75 -1.667 15.326 4.258 1.00 0.00 N ATOM 0 H LYS A 75 1.086 11.523 0.563 1.00 0.00 H new ATOM 0 HA LYS A 75 2.872 13.700 1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.698 14.711 1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.732 14.249 0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.892 12.715 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.228 12.108 2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.763 14.729 1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.484 13.212 2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.438 13.222 4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.025 14.074 3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.344 15.469 5.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.338 16.115 3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.706 15.289 4.239 1.00 0.00 H new ATOM 1213 N ASN A 76 1.814 11.631 3.487 1.00 0.00 N ATOM 1214 CA ASN A 76 1.964 11.254 4.886 1.00 0.00 C ATOM 1215 C ASN A 76 3.402 11.474 5.333 1.00 0.00 C ATOM 1216 O ASN A 76 3.658 12.042 6.392 1.00 0.00 O ATOM 1217 CB ASN A 76 1.583 9.787 5.096 1.00 0.00 C ATOM 1218 CG ASN A 76 1.567 9.397 6.560 1.00 0.00 C ATOM 1219 OD1 ASN A 76 2.616 9.202 7.175 1.00 0.00 O ATOM 1220 ND2 ASN A 76 0.371 9.283 7.129 1.00 0.00 N ATOM 0 H ASN A 76 1.374 10.921 2.901 1.00 0.00 H new ATOM 0 HA ASN A 76 1.298 11.878 5.481 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.599 9.605 4.664 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.289 9.151 4.561 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.297 9.025 8.113 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.473 9.454 6.582 1.00 0.00 H new ATOM 1227 N GLU A 77 4.334 11.019 4.500 1.00 0.00 N ATOM 1228 CA GLU A 77 5.761 11.171 4.794 1.00 0.00 C ATOM 1229 C GLU A 77 6.615 10.392 3.807 1.00 0.00 C ATOM 1230 O GLU A 77 7.608 9.769 4.182 1.00 0.00 O ATOM 1231 CB GLU A 77 6.067 10.725 6.230 1.00 0.00 C ATOM 1232 CG GLU A 77 6.240 11.879 7.205 1.00 0.00 C ATOM 1233 CD GLU A 77 7.687 12.138 7.555 1.00 0.00 C ATOM 1234 OE1 GLU A 77 8.443 11.158 7.723 1.00 0.00 O ATOM 1235 OE2 GLU A 77 8.072 13.324 7.663 1.00 0.00 O ATOM 0 H GLU A 77 4.131 10.544 3.620 1.00 0.00 H new ATOM 0 HA GLU A 77 6.009 12.228 4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.260 10.082 6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.976 10.123 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.808 12.782 6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.683 11.665 8.117 1.00 0.00 H new ATOM 1242 N ILE A 78 6.220 10.430 2.535 1.00 0.00 N ATOM 1243 CA ILE A 78 6.940 9.731 1.471 1.00 0.00 C ATOM 1244 C ILE A 78 7.443 8.363 1.920 1.00 0.00 C ATOM 1245 O ILE A 78 8.447 7.860 1.415 1.00 0.00 O ATOM 1246 CB ILE A 78 8.111 10.596 0.934 1.00 0.00 C ATOM 1247 CG1 ILE A 78 8.287 10.362 -0.540 1.00 0.00 C ATOM 1248 CG2 ILE A 78 9.408 10.339 1.698 1.00 0.00 C ATOM 1249 CD1 ILE A 78 8.948 9.047 -0.890 1.00 0.00 C ATOM 0 H ILE A 78 5.398 10.942 2.214 1.00 0.00 H new ATOM 0 HA ILE A 78 6.230 9.565 0.661 1.00 0.00 H new ATOM 0 HB ILE A 78 7.859 11.644 1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.310 10.403 -1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.881 11.175 -0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.201 10.965 1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.263 10.578 2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.687 9.290 1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.035 8.961 -1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.941 9.008 -0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.345 8.223 -0.508 1.00 0.00 H new ATOM 1261 N GLU A 79 6.729 7.758 2.857 1.00 0.00 N ATOM 1262 CA GLU A 79 7.101 6.445 3.351 1.00 0.00 C ATOM 1263 C GLU A 79 6.594 5.364 2.404 1.00 0.00 C ATOM 1264 O GLU A 79 6.919 4.186 2.557 1.00 0.00 O ATOM 1265 CB GLU A 79 6.549 6.224 4.758 1.00 0.00 C ATOM 1266 CG GLU A 79 5.036 6.356 4.847 1.00 0.00 C ATOM 1267 CD GLU A 79 4.497 5.980 6.212 1.00 0.00 C ATOM 1268 OE1 GLU A 79 5.070 5.067 6.845 1.00 0.00 O ATOM 1269 OE2 GLU A 79 3.503 6.594 6.648 1.00 0.00 O ATOM 0 H GLU A 79 5.893 8.154 3.287 1.00 0.00 H new ATOM 0 HA GLU A 79 8.188 6.387 3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.839 5.231 5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.008 6.943 5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.751 7.383 4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.575 5.721 4.091 1.00 0.00 H new ATOM 1276 N ILE A 80 5.789 5.775 1.428 1.00 0.00 N ATOM 1277 CA ILE A 80 5.231 4.837 0.455 1.00 0.00 C ATOM 1278 C ILE A 80 6.336 4.052 -0.217 1.00 0.00 C ATOM 1279 O ILE A 80 6.389 2.830 -0.117 1.00 0.00 O ATOM 1280 CB ILE A 80 4.358 5.519 -0.617 1.00 0.00 C ATOM 1281 CG1 ILE A 80 4.361 7.043 -0.503 1.00 0.00 C ATOM 1282 CG2 ILE A 80 2.938 4.984 -0.560 1.00 0.00 C ATOM 1283 CD1 ILE A 80 5.675 7.682 -0.898 1.00 0.00 C ATOM 0 H ILE A 80 5.509 6.746 1.289 1.00 0.00 H new ATOM 0 HA ILE A 80 4.583 4.166 1.018 1.00 0.00 H new ATOM 0 HB ILE A 80 4.798 5.276 -1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.568 7.447 -1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.126 7.322 0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.333 5.475 -1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.947 3.909 -0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.513 5.184 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.600 8.764 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.470 7.308 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.903 7.435 -1.935 1.00 0.00 H new ATOM 1295 N TRP A 81 7.207 4.759 -0.933 1.00 0.00 N ATOM 1296 CA TRP A 81 8.301 4.114 -1.660 1.00 0.00 C ATOM 1297 C TRP A 81 9.020 3.090 -0.786 1.00 0.00 C ATOM 1298 O TRP A 81 9.487 2.059 -1.278 1.00 0.00 O ATOM 1299 CB TRP A 81 9.284 5.159 -2.193 1.00 0.00 C ATOM 1300 CG TRP A 81 8.633 6.208 -3.044 1.00 0.00 C ATOM 1301 CD1 TRP A 81 9.191 7.385 -3.457 1.00 0.00 C ATOM 1302 CD2 TRP A 81 7.309 6.184 -3.588 1.00 0.00 C ATOM 1303 NE1 TRP A 81 8.290 8.096 -4.207 1.00 0.00 N ATOM 1304 CE2 TRP A 81 7.128 7.380 -4.305 1.00 0.00 C ATOM 1305 CE3 TRP A 81 6.250 5.271 -3.535 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 5.935 7.682 -4.959 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 5.073 5.575 -4.189 1.00 0.00 C ATOM 1308 CH2 TRP A 81 4.926 6.771 -4.893 1.00 0.00 C ATOM 0 H TRP A 81 7.178 5.774 -1.026 1.00 0.00 H new ATOM 0 HA TRP A 81 7.871 3.582 -2.508 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.782 5.641 -1.352 1.00 0.00 H new ATOM 0 HB3 TRP A 81 10.057 4.657 -2.775 1.00 0.00 H new ATOM 0 HD1 TRP A 81 10.195 7.708 -3.226 1.00 0.00 H new ATOM 0 HE1 TRP A 81 8.459 9.011 -4.625 1.00 0.00 H new ATOM 0 HE3 TRP A 81 6.352 4.343 -2.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.815 8.609 -5.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 4.251 4.875 -4.155 1.00 0.00 H new ATOM 0 HH2 TRP A 81 3.993 6.978 -5.396 1.00 0.00 H new ATOM 1319 N ARG A 82 9.091 3.363 0.488 1.00 0.00 N ATOM 1320 CA ARG A 82 9.742 2.450 1.420 1.00 0.00 C ATOM 1321 C ARG A 82 9.084 1.071 1.372 1.00 0.00 C ATOM 1322 O ARG A 82 9.764 0.051 1.317 1.00 0.00 O ATOM 1323 CB ARG A 82 9.684 3.010 2.845 1.00 0.00 C ATOM 1324 CG ARG A 82 11.050 3.154 3.495 1.00 0.00 C ATOM 1325 CD ARG A 82 11.588 4.571 3.354 1.00 0.00 C ATOM 1326 NE ARG A 82 12.373 4.974 4.516 1.00 0.00 N ATOM 1327 CZ ARG A 82 12.666 6.237 4.809 1.00 0.00 C ATOM 1328 NH1 ARG A 82 12.236 7.225 4.029 1.00 0.00 N ATOM 1329 NH2 ARG A 82 13.385 6.522 5.885 1.00 0.00 N ATOM 0 H ARG A 82 8.710 4.207 0.916 1.00 0.00 H new ATOM 0 HA ARG A 82 10.786 2.348 1.124 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.195 3.984 2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.065 2.356 3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.981 2.893 4.551 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.747 2.452 3.038 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.206 4.637 2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.757 5.263 3.220 1.00 0.00 H new ATOM 0 HE ARG A 82 12.717 4.244 5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.678 7.015 3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.464 8.192 4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.715 5.771 6.491 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.608 7.492 6.107 1.00 0.00 H new ATOM 1343 N GLU A 83 7.756 1.056 1.380 1.00 0.00 N ATOM 1344 CA GLU A 83 7.007 -0.171 1.326 1.00 0.00 C ATOM 1345 C GLU A 83 6.785 -0.599 -0.094 1.00 0.00 C ATOM 1346 O GLU A 83 6.646 -1.791 -0.388 1.00 0.00 O ATOM 1347 CB GLU A 83 5.662 -0.019 2.040 1.00 0.00 C ATOM 1348 CG GLU A 83 4.887 1.198 1.621 1.00 0.00 C ATOM 1349 CD GLU A 83 3.431 1.144 2.039 1.00 0.00 C ATOM 1350 OE1 GLU A 83 3.115 0.387 2.987 1.00 0.00 O ATOM 1351 OE2 GLU A 83 2.610 1.852 1.428 1.00 0.00 O ATOM 0 H GLU A 83 7.180 1.897 1.424 1.00 0.00 H new ATOM 0 HA GLU A 83 7.590 -0.938 1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.058 -0.906 1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.835 0.024 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.351 2.084 2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.945 1.304 0.538 1.00 0.00 H new ATOM 1358 N LEU A 84 6.761 0.355 -0.988 1.00 0.00 N ATOM 1359 CA LEU A 84 6.563 0.099 -2.401 1.00 0.00 C ATOM 1360 C LEU A 84 7.767 -0.604 -2.986 1.00 0.00 C ATOM 1361 O LEU A 84 7.654 -1.307 -3.985 1.00 0.00 O ATOM 1362 CB LEU A 84 6.309 1.414 -3.138 1.00 0.00 C ATOM 1363 CG LEU A 84 4.841 1.848 -3.212 1.00 0.00 C ATOM 1364 CD1 LEU A 84 4.107 1.081 -4.300 1.00 0.00 C ATOM 1365 CD2 LEU A 84 4.150 1.664 -1.863 1.00 0.00 C ATOM 0 H LEU A 84 6.879 1.342 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 84 5.695 -0.549 -2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.880 2.203 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.696 1.324 -4.153 1.00 0.00 H new ATOM 0 HG LEU A 84 4.815 2.908 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.067 1.405 -4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.580 1.274 -5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.148 0.014 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.109 1.979 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.191 0.614 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.656 2.268 -1.110 1.00 0.00 H new ATOM 1377 N THR A 85 8.919 -0.446 -2.337 1.00 0.00 N ATOM 1378 CA THR A 85 10.135 -1.112 -2.784 1.00 0.00 C ATOM 1379 C THR A 85 10.245 -2.477 -2.113 1.00 0.00 C ATOM 1380 O THR A 85 10.663 -3.452 -2.733 1.00 0.00 O ATOM 1381 CB THR A 85 11.368 -0.264 -2.470 1.00 0.00 C ATOM 1382 OG1 THR A 85 12.525 -0.824 -3.063 1.00 0.00 O ATOM 1383 CG2 THR A 85 11.639 -0.113 -0.988 1.00 0.00 C ATOM 0 H THR A 85 9.033 0.134 -1.506 1.00 0.00 H new ATOM 0 HA THR A 85 10.085 -1.244 -3.865 1.00 0.00 H new ATOM 0 HB THR A 85 11.148 0.721 -2.881 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.303 -0.267 -2.852 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.528 0.500 -0.841 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.785 0.366 -0.509 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.799 -1.096 -0.545 1.00 0.00 H new ATOM 1391 N ALA A 86 9.840 -2.543 -0.848 1.00 0.00 N ATOM 1392 CA ALA A 86 9.871 -3.796 -0.104 1.00 0.00 C ATOM 1393 C ALA A 86 8.949 -4.815 -0.768 1.00 0.00 C ATOM 1394 O ALA A 86 9.271 -5.999 -0.856 1.00 0.00 O ATOM 1395 CB ALA A 86 9.466 -3.567 1.322 1.00 0.00 C ATOM 0 H ALA A 86 9.488 -1.745 -0.319 1.00 0.00 H new ATOM 0 HA ALA A 86 10.888 -4.188 -0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.494 -4.512 1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 86 10.154 -2.861 1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.455 -3.161 1.352 1.00 0.00 H new ATOM 1401 N LYS A 87 7.813 -4.328 -1.263 1.00 0.00 N ATOM 1402 CA LYS A 87 6.848 -5.161 -1.948 1.00 0.00 C ATOM 1403 C LYS A 87 6.720 -4.680 -3.384 1.00 0.00 C ATOM 1404 O LYS A 87 7.238 -3.627 -3.742 1.00 0.00 O ATOM 1405 CB LYS A 87 5.489 -5.111 -1.241 1.00 0.00 C ATOM 1406 CG LYS A 87 5.438 -5.931 0.017 1.00 0.00 C ATOM 1407 CD LYS A 87 4.134 -6.696 0.139 1.00 0.00 C ATOM 1408 CE LYS A 87 3.172 -6.004 1.092 1.00 0.00 C ATOM 1409 NZ LYS A 87 3.396 -6.418 2.504 1.00 0.00 N ATOM 0 H LYS A 87 7.543 -3.347 -1.197 1.00 0.00 H new ATOM 0 HA LYS A 87 7.188 -6.196 -1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.252 -4.075 -1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.718 -5.463 -1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.273 -6.632 0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.558 -5.278 0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.671 -6.789 -0.844 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.335 -7.707 0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.291 -4.924 1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.146 -6.235 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.721 -5.924 3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.258 -7.445 2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.367 -6.174 2.787 1.00 0.00 H new ATOM 1423 N TYR A 88 6.039 -5.458 -4.209 1.00 0.00 N ATOM 1424 CA TYR A 88 5.862 -5.102 -5.621 1.00 0.00 C ATOM 1425 C TYR A 88 7.203 -4.777 -6.296 1.00 0.00 C ATOM 1426 O TYR A 88 7.232 -4.229 -7.399 1.00 0.00 O ATOM 1427 CB TYR A 88 4.912 -3.901 -5.766 1.00 0.00 C ATOM 1428 CG TYR A 88 4.207 -3.509 -4.484 1.00 0.00 C ATOM 1429 CD1 TYR A 88 3.460 -4.430 -3.766 1.00 0.00 C ATOM 1430 CD2 TYR A 88 4.289 -2.211 -3.996 1.00 0.00 C ATOM 1431 CE1 TYR A 88 2.817 -4.074 -2.597 1.00 0.00 C ATOM 1432 CE2 TYR A 88 3.650 -1.845 -2.828 1.00 0.00 C ATOM 1433 CZ TYR A 88 2.912 -2.781 -2.135 1.00 0.00 C ATOM 1434 OH TYR A 88 2.274 -2.417 -0.969 1.00 0.00 O ATOM 0 H TYR A 88 5.599 -6.337 -3.935 1.00 0.00 H new ATOM 0 HA TYR A 88 5.427 -5.969 -6.117 1.00 0.00 H new ATOM 0 HB2 TYR A 88 5.479 -3.045 -6.132 1.00 0.00 H new ATOM 0 HB3 TYR A 88 4.163 -4.134 -6.523 1.00 0.00 H new ATOM 0 HD1 TYR A 88 3.379 -5.444 -4.128 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.863 -1.475 -4.540 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.243 -4.806 -2.048 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.728 -0.833 -2.460 1.00 0.00 H new ATOM 0 HH TYR A 88 2.469 -3.076 -0.270 1.00 0.00 H new ATOM 1444 N ASP A 89 8.312 -5.116 -5.630 1.00 0.00 N ATOM 1445 CA ASP A 89 9.639 -4.858 -6.176 1.00 0.00 C ATOM 1446 C ASP A 89 9.832 -5.572 -7.507 1.00 0.00 C ATOM 1447 O ASP A 89 10.108 -4.933 -8.525 1.00 0.00 O ATOM 1448 CB ASP A 89 10.713 -5.303 -5.179 1.00 0.00 C ATOM 1449 CG ASP A 89 11.845 -4.299 -5.062 1.00 0.00 C ATOM 1450 OD1 ASP A 89 11.991 -3.463 -5.980 1.00 0.00 O ATOM 1451 OD2 ASP A 89 12.579 -4.347 -4.056 1.00 0.00 O ATOM 0 H ASP A 89 8.312 -5.568 -4.716 1.00 0.00 H new ATOM 0 HA ASP A 89 9.733 -3.786 -6.349 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.258 -5.449 -4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.116 -6.267 -5.490 1.00 0.00 H new ATOM 1456 N PRO A 90 9.696 -6.914 -7.532 1.00 0.00 N ATOM 1457 CA PRO A 90 9.855 -7.709 -8.748 1.00 0.00 C ATOM 1458 C PRO A 90 9.216 -7.045 -9.960 1.00 0.00 C ATOM 1459 O PRO A 90 9.780 -7.053 -11.053 1.00 0.00 O ATOM 1460 CB PRO A 90 9.143 -9.033 -8.425 1.00 0.00 C ATOM 1461 CG PRO A 90 8.617 -8.896 -7.024 1.00 0.00 C ATOM 1462 CD PRO A 90 9.376 -7.769 -6.384 1.00 0.00 C ATOM 0 HA PRO A 90 10.906 -7.835 -9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 90 8.332 -9.220 -9.129 1.00 0.00 H new ATOM 0 HB3 PRO A 90 9.832 -9.874 -8.501 1.00 0.00 H new ATOM 0 HG2 PRO A 90 7.547 -8.687 -7.031 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.757 -9.822 -6.466 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.775 -7.244 -5.642 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.274 -8.121 -5.876 1.00 0.00 H new ATOM 1470 N THR A 91 8.039 -6.463 -9.756 1.00 0.00 N ATOM 1471 CA THR A 91 7.334 -5.793 -10.836 1.00 0.00 C ATOM 1472 C THR A 91 6.535 -4.601 -10.304 1.00 0.00 C ATOM 1473 O THR A 91 7.032 -3.477 -10.278 1.00 0.00 O ATOM 1474 CB THR A 91 6.411 -6.775 -11.566 1.00 0.00 C ATOM 1475 OG1 THR A 91 6.112 -7.887 -10.739 1.00 0.00 O ATOM 1476 CG2 THR A 91 7.001 -7.305 -12.854 1.00 0.00 C ATOM 0 H THR A 91 7.558 -6.443 -8.857 1.00 0.00 H new ATOM 0 HA THR A 91 8.072 -5.420 -11.546 1.00 0.00 H new ATOM 0 HB THR A 91 5.512 -6.207 -11.805 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.521 -8.503 -11.220 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.297 -7.994 -13.320 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.199 -6.475 -13.532 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.933 -7.828 -12.639 1.00 0.00 H new ATOM 1484 N GLY A 92 5.304 -4.856 -9.884 1.00 0.00 N ATOM 1485 CA GLY A 92 4.463 -3.801 -9.365 1.00 0.00 C ATOM 1486 C GLY A 92 3.488 -3.295 -10.401 1.00 0.00 C ATOM 1487 O GLY A 92 2.299 -3.175 -10.133 1.00 0.00 O ATOM 0 H GLY A 92 4.873 -5.780 -9.894 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.913 -4.168 -8.498 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.087 -2.976 -9.020 1.00 0.00 H new ATOM 1491 N ASN A 93 4.005 -3.010 -11.592 1.00 0.00 N ATOM 1492 CA ASN A 93 3.206 -2.517 -12.717 1.00 0.00 C ATOM 1493 C ASN A 93 2.078 -1.596 -12.274 1.00 0.00 C ATOM 1494 O ASN A 93 1.031 -1.523 -12.917 1.00 0.00 O ATOM 1495 CB ASN A 93 2.633 -3.692 -13.496 1.00 0.00 C ATOM 1496 CG ASN A 93 2.410 -3.372 -14.961 1.00 0.00 C ATOM 1497 OD1 ASN A 93 3.199 -2.658 -15.580 1.00 0.00 O ATOM 1498 ND2 ASN A 93 1.327 -3.896 -15.521 1.00 0.00 N ATOM 0 H ASN A 93 4.996 -3.114 -11.809 1.00 0.00 H new ATOM 0 HA ASN A 93 3.871 -1.932 -13.352 1.00 0.00 H new ATOM 0 HB2 ASN A 93 3.310 -4.542 -13.413 1.00 0.00 H new ATOM 0 HB3 ASN A 93 1.687 -3.994 -13.046 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.121 -3.712 -16.503 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.701 -4.482 -14.969 1.00 0.00 H new ATOM 1505 N TRP A 94 2.311 -0.894 -11.183 1.00 0.00 N ATOM 1506 CA TRP A 94 1.336 0.020 -10.639 1.00 0.00 C ATOM 1507 C TRP A 94 2.069 1.083 -9.844 1.00 0.00 C ATOM 1508 O TRP A 94 1.747 2.270 -9.932 1.00 0.00 O ATOM 1509 CB TRP A 94 0.319 -0.695 -9.757 1.00 0.00 C ATOM 1510 CG TRP A 94 -0.317 -1.846 -10.455 1.00 0.00 C ATOM 1511 CD1 TRP A 94 -0.206 -3.174 -10.142 1.00 0.00 C ATOM 1512 CD2 TRP A 94 -1.191 -1.777 -11.592 1.00 0.00 C ATOM 1513 NE1 TRP A 94 -0.931 -3.926 -11.029 1.00 0.00 N ATOM 1514 CE2 TRP A 94 -1.556 -3.097 -11.921 1.00 0.00 C ATOM 1515 CE3 TRP A 94 -1.693 -0.725 -12.365 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 -2.396 -3.389 -12.988 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 -2.534 -1.024 -13.424 1.00 0.00 C ATOM 1518 CH2 TRP A 94 -2.877 -2.345 -13.726 1.00 0.00 C ATOM 0 H TRP A 94 3.181 -0.943 -10.652 1.00 0.00 H new ATOM 0 HA TRP A 94 0.780 0.474 -11.459 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.811 -1.048 -8.851 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.451 0.011 -9.447 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.368 -3.571 -9.318 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -0.995 -4.944 -11.025 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.430 0.298 -12.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.660 -4.409 -13.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.932 -0.222 -14.028 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.535 -2.544 -14.559 1.00 0.00 H new ATOM 1529 N ARG A 95 3.086 0.654 -9.106 1.00 0.00 N ATOM 1530 CA ARG A 95 3.901 1.568 -8.327 1.00 0.00 C ATOM 1531 C ARG A 95 4.490 2.635 -9.239 1.00 0.00 C ATOM 1532 O ARG A 95 4.764 3.754 -8.800 1.00 0.00 O ATOM 1533 CB ARG A 95 5.019 0.806 -7.609 1.00 0.00 C ATOM 1534 CG ARG A 95 6.026 1.704 -6.906 1.00 0.00 C ATOM 1535 CD ARG A 95 7.282 0.936 -6.525 1.00 0.00 C ATOM 1536 NE ARG A 95 8.157 0.720 -7.669 1.00 0.00 N ATOM 1537 CZ ARG A 95 9.448 0.402 -7.571 1.00 0.00 C ATOM 1538 NH1 ARG A 95 10.012 0.266 -6.376 1.00 0.00 N ATOM 1539 NH2 ARG A 95 10.175 0.219 -8.665 1.00 0.00 N ATOM 0 H ARG A 95 3.364 -0.325 -9.033 1.00 0.00 H new ATOM 0 HA ARG A 95 3.275 2.049 -7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.574 0.133 -6.876 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.545 0.185 -8.334 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.290 2.537 -7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.573 2.131 -6.011 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.822 1.485 -5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.003 -0.026 -6.095 1.00 0.00 H new ATOM 0 HE ARG A 95 7.758 0.818 -8.602 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.457 0.405 -5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.000 0.023 -6.303 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.747 0.321 -9.585 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.162 -0.024 -8.586 1.00 0.00 H new ATOM 1553 N LYS A 96 4.674 2.292 -10.516 1.00 0.00 N ATOM 1554 CA LYS A 96 5.221 3.251 -11.471 1.00 0.00 C ATOM 1555 C LYS A 96 4.283 4.439 -11.620 1.00 0.00 C ATOM 1556 O LYS A 96 4.727 5.578 -11.764 1.00 0.00 O ATOM 1557 CB LYS A 96 5.467 2.586 -12.826 1.00 0.00 C ATOM 1558 CG LYS A 96 4.238 1.902 -13.406 1.00 0.00 C ATOM 1559 CD LYS A 96 4.256 1.935 -14.924 1.00 0.00 C ATOM 1560 CE LYS A 96 2.854 1.839 -15.501 1.00 0.00 C ATOM 1561 NZ LYS A 96 2.854 1.244 -16.869 1.00 0.00 N ATOM 0 H LYS A 96 4.456 1.375 -10.905 1.00 0.00 H new ATOM 0 HA LYS A 96 6.178 3.609 -11.091 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.819 3.339 -13.531 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.265 1.851 -12.720 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.198 0.868 -13.063 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.337 2.395 -13.040 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.727 2.857 -15.263 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.862 1.111 -15.299 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.231 1.234 -14.842 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.408 2.833 -15.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.879 1.196 -17.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.427 1.835 -17.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.256 0.286 -16.831 1.00 0.00 H new ATOM 1575 N LYS A 97 2.983 4.171 -11.562 1.00 0.00 N ATOM 1576 CA LYS A 97 1.990 5.226 -11.661 1.00 0.00 C ATOM 1577 C LYS A 97 1.997 6.047 -10.383 1.00 0.00 C ATOM 1578 O LYS A 97 1.854 7.266 -10.406 1.00 0.00 O ATOM 1579 CB LYS A 97 0.605 4.624 -11.906 1.00 0.00 C ATOM 1580 CG LYS A 97 -0.524 5.526 -11.484 1.00 0.00 C ATOM 1581 CD LYS A 97 -1.695 5.432 -12.449 1.00 0.00 C ATOM 1582 CE LYS A 97 -1.760 6.635 -13.369 1.00 0.00 C ATOM 1583 NZ LYS A 97 -2.222 6.269 -14.736 1.00 0.00 N ATOM 0 H LYS A 97 2.596 3.234 -11.447 1.00 0.00 H new ATOM 0 HA LYS A 97 2.233 5.876 -12.502 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.499 4.395 -12.966 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.527 3.680 -11.366 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.854 5.255 -10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.171 6.556 -11.436 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.604 4.523 -13.044 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.625 5.353 -11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.435 7.379 -12.946 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.775 7.097 -13.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.252 7.121 -15.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.564 5.579 -15.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.173 5.852 -14.681 1.00 0.00 H new ATOM 1597 N TYR A 98 2.174 5.351 -9.264 1.00 0.00 N ATOM 1598 CA TYR A 98 2.220 5.987 -7.965 1.00 0.00 C ATOM 1599 C TYR A 98 3.433 6.903 -7.858 1.00 0.00 C ATOM 1600 O TYR A 98 3.353 7.986 -7.275 1.00 0.00 O ATOM 1601 CB TYR A 98 2.288 4.933 -6.869 1.00 0.00 C ATOM 1602 CG TYR A 98 1.065 4.046 -6.759 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.172 4.508 -7.106 1.00 0.00 C ATOM 1604 CD2 TYR A 98 1.177 2.750 -6.277 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.284 3.698 -6.980 1.00 0.00 C ATOM 1606 CE2 TYR A 98 0.078 1.937 -6.144 1.00 0.00 C ATOM 1607 CZ TYR A 98 -1.143 2.418 -6.496 1.00 0.00 C ATOM 1608 OH TYR A 98 -2.252 1.612 -6.363 1.00 0.00 O ATOM 0 H TYR A 98 2.288 4.338 -9.239 1.00 0.00 H new ATOM 0 HA TYR A 98 1.314 6.581 -7.845 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.160 4.304 -7.044 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.443 5.433 -5.913 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.282 5.514 -7.482 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.150 2.372 -6.000 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.259 4.068 -7.260 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.183 0.931 -5.765 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.981 0.739 -6.009 1.00 0.00 H new ATOM 1618 N GLU A 99 4.559 6.466 -8.419 1.00 0.00 N ATOM 1619 CA GLU A 99 5.783 7.249 -8.375 1.00 0.00 C ATOM 1620 C GLU A 99 5.709 8.423 -9.348 1.00 0.00 C ATOM 1621 O GLU A 99 6.153 9.527 -9.029 1.00 0.00 O ATOM 1622 CB GLU A 99 6.992 6.362 -8.683 1.00 0.00 C ATOM 1623 CG GLU A 99 8.240 7.126 -9.099 1.00 0.00 C ATOM 1624 CD GLU A 99 9.503 6.559 -8.479 1.00 0.00 C ATOM 1625 OE1 GLU A 99 9.485 6.257 -7.267 1.00 0.00 O ATOM 1626 OE2 GLU A 99 10.508 6.424 -9.207 1.00 0.00 O ATOM 0 H GLU A 99 4.645 5.575 -8.908 1.00 0.00 H new ATOM 0 HA GLU A 99 5.900 7.653 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.223 5.764 -7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.724 5.666 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.331 7.103 -10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.135 8.172 -8.810 1.00 0.00 H new ATOM 1633 N ASP A 100 5.131 8.190 -10.523 1.00 0.00 N ATOM 1634 CA ASP A 100 4.993 9.246 -11.515 1.00 0.00 C ATOM 1635 C ASP A 100 4.301 10.454 -10.896 1.00 0.00 C ATOM 1636 O ASP A 100 4.588 11.600 -11.245 1.00 0.00 O ATOM 1637 CB ASP A 100 4.212 8.747 -12.725 1.00 0.00 C ATOM 1638 CG ASP A 100 4.027 9.818 -13.781 1.00 0.00 C ATOM 1639 OD1 ASP A 100 5.042 10.405 -14.214 1.00 0.00 O ATOM 1640 OD2 ASP A 100 2.871 10.062 -14.184 1.00 0.00 O ATOM 0 H ASP A 100 4.754 7.286 -10.808 1.00 0.00 H new ATOM 0 HA ASP A 100 5.987 9.543 -11.850 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.733 7.896 -13.163 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.235 8.390 -12.400 1.00 0.00 H new ATOM 1645 N ARG A 101 3.395 10.183 -9.964 1.00 0.00 N ATOM 1646 CA ARG A 101 2.674 11.237 -9.280 1.00 0.00 C ATOM 1647 C ARG A 101 3.617 12.042 -8.403 1.00 0.00 C ATOM 1648 O ARG A 101 3.552 13.271 -8.368 1.00 0.00 O ATOM 1649 CB ARG A 101 1.551 10.648 -8.427 1.00 0.00 C ATOM 1650 CG ARG A 101 0.240 11.372 -8.615 1.00 0.00 C ATOM 1651 CD ARG A 101 -0.502 11.507 -7.307 1.00 0.00 C ATOM 1652 NE ARG A 101 -1.312 12.723 -7.262 1.00 0.00 N ATOM 1653 CZ ARG A 101 -2.414 12.908 -7.983 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -2.842 11.957 -8.807 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -3.091 14.042 -7.885 1.00 0.00 N ATOM 0 H ARG A 101 3.146 9.239 -9.668 1.00 0.00 H new ATOM 0 HA ARG A 101 2.240 11.897 -10.031 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.421 9.596 -8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.838 10.690 -7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.425 12.361 -9.035 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.377 10.831 -9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.144 10.638 -7.162 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.212 11.516 -6.484 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.014 13.475 -6.640 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.325 11.082 -8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.688 12.103 -9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.767 14.776 -7.255 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.936 14.181 -8.439 1.00 0.00 H new ATOM 1669 N ALA A 102 4.501 11.341 -7.702 1.00 0.00 N ATOM 1670 CA ALA A 102 5.469 11.992 -6.836 1.00 0.00 C ATOM 1671 C ALA A 102 6.283 13.023 -7.608 1.00 0.00 C ATOM 1672 O ALA A 102 6.889 13.918 -7.017 1.00 0.00 O ATOM 1673 CB ALA A 102 6.378 10.957 -6.200 1.00 0.00 C ATOM 0 H ALA A 102 4.565 10.323 -7.718 1.00 0.00 H new ATOM 0 HA ALA A 102 4.930 12.516 -6.047 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.100 11.455 -5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.781 10.262 -5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.907 10.409 -6.980 1.00 0.00 H new ATOM 1679 N LYS A 103 6.283 12.899 -8.934 1.00 0.00 N ATOM 1680 CA LYS A 103 7.016 13.829 -9.780 1.00 0.00 C ATOM 1681 C LYS A 103 6.174 15.067 -10.043 1.00 0.00 C ATOM 1682 O LYS A 103 6.674 16.192 -10.022 1.00 0.00 O ATOM 1683 CB LYS A 103 7.402 13.161 -11.101 1.00 0.00 C ATOM 1684 CG LYS A 103 8.235 14.053 -12.013 1.00 0.00 C ATOM 1685 CD LYS A 103 9.184 13.234 -12.872 1.00 0.00 C ATOM 1686 CE LYS A 103 9.362 13.855 -14.247 1.00 0.00 C ATOM 1687 NZ LYS A 103 10.521 14.786 -14.292 1.00 0.00 N ATOM 0 H LYS A 103 5.785 12.167 -9.440 1.00 0.00 H new ATOM 0 HA LYS A 103 7.929 14.125 -9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.961 12.250 -10.888 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.495 12.863 -11.627 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.575 14.639 -12.653 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.805 14.760 -11.411 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.152 13.159 -12.377 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.799 12.219 -12.976 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.502 13.066 -14.986 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.454 14.392 -14.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.607 15.188 -15.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.376 15.554 -13.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.391 14.269 -14.055 1.00 0.00 H new ATOM 1701 N ALA A 104 4.884 14.852 -10.284 1.00 0.00 N ATOM 1702 CA ALA A 104 3.964 15.950 -10.539 1.00 0.00 C ATOM 1703 C ALA A 104 3.625 16.687 -9.248 1.00 0.00 C ATOM 1704 O ALA A 104 3.254 17.860 -9.271 1.00 0.00 O ATOM 1705 CB ALA A 104 2.696 15.429 -11.201 1.00 0.00 C ATOM 0 H ALA A 104 4.455 13.927 -10.308 1.00 0.00 H new ATOM 0 HA ALA A 104 4.450 16.655 -11.214 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.015 16.260 -11.387 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.950 14.949 -12.146 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.214 14.705 -10.544 1.00 0.00 H new ATOM 1711 N ALA A 105 3.757 15.992 -8.119 1.00 0.00 N ATOM 1712 CA ALA A 105 3.463 16.577 -6.827 1.00 0.00 C ATOM 1713 C ALA A 105 4.719 17.155 -6.179 1.00 0.00 C ATOM 1714 O ALA A 105 4.674 18.207 -5.542 1.00 0.00 O ATOM 1715 CB ALA A 105 2.822 15.550 -5.909 1.00 0.00 C ATOM 0 H ALA A 105 4.067 15.021 -8.081 1.00 0.00 H new ATOM 0 HA ALA A 105 2.760 17.394 -6.986 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.609 16.008 -4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.893 15.193 -6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.504 14.711 -5.770 1.00 0.00 H new ATOM 1721 N GLY A 106 5.839 16.454 -6.337 1.00 0.00 N ATOM 1722 CA GLY A 106 7.088 16.910 -5.753 1.00 0.00 C ATOM 1723 C GLY A 106 7.585 15.976 -4.670 1.00 0.00 C ATOM 1724 O GLY A 106 8.787 15.860 -4.441 1.00 0.00 O ATOM 0 H GLY A 106 5.903 15.580 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.844 16.993 -6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.950 17.907 -5.336 1.00 0.00 H new ATOM 1728 N ILE A 107 6.649 15.303 -4.007 1.00 0.00 N ATOM 1729 CA ILE A 107 6.979 14.367 -2.946 1.00 0.00 C ATOM 1730 C ILE A 107 7.919 13.274 -3.451 1.00 0.00 C ATOM 1731 O ILE A 107 7.581 12.531 -4.371 1.00 0.00 O ATOM 1732 CB ILE A 107 5.697 13.717 -2.386 1.00 0.00 C ATOM 1733 CG1 ILE A 107 6.036 12.682 -1.312 1.00 0.00 C ATOM 1734 CG2 ILE A 107 4.892 13.083 -3.507 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.363 13.295 0.015 1.00 0.00 C ATOM 0 H ILE A 107 5.650 15.392 -4.191 1.00 0.00 H new ATOM 0 HA ILE A 107 7.481 14.925 -2.155 1.00 0.00 H new ATOM 0 HB ILE A 107 5.091 14.497 -1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.193 12.002 -1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 107 6.883 12.084 -1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.991 12.629 -3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.614 13.847 -4.233 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.493 12.317 -3.998 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.594 12.508 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.225 13.954 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.508 13.870 0.371 1.00 0.00 H new ATOM 1747 N VAL A 108 9.085 13.167 -2.825 1.00 0.00 N ATOM 1748 CA VAL A 108 10.060 12.155 -3.197 1.00 0.00 C ATOM 1749 C VAL A 108 10.887 11.740 -1.991 1.00 0.00 C ATOM 1750 O VAL A 108 11.229 12.563 -1.142 1.00 0.00 O ATOM 1751 CB VAL A 108 10.991 12.629 -4.326 1.00 0.00 C ATOM 1752 CG1 VAL A 108 11.924 11.509 -4.756 1.00 0.00 C ATOM 1753 CG2 VAL A 108 10.178 13.134 -5.510 1.00 0.00 C ATOM 0 H VAL A 108 9.376 13.771 -2.056 1.00 0.00 H new ATOM 0 HA VAL A 108 9.499 11.297 -3.567 1.00 0.00 H new ATOM 0 HB VAL A 108 11.597 13.452 -3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.574 11.864 -5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.531 11.195 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.337 10.664 -5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.852 13.465 -6.300 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.546 12.330 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.553 13.969 -5.193 1.00 0.00 H new ATOM 1763 N ILE A 109 11.189 10.451 -1.911 1.00 0.00 N ATOM 1764 CA ILE A 109 11.960 9.906 -0.805 1.00 0.00 C ATOM 1765 C ILE A 109 13.281 10.662 -0.628 1.00 0.00 C ATOM 1766 O ILE A 109 13.955 10.965 -1.608 1.00 0.00 O ATOM 1767 CB ILE A 109 12.226 8.394 -1.019 1.00 0.00 C ATOM 1768 CG1 ILE A 109 12.343 7.669 0.301 1.00 0.00 C ATOM 1769 CG2 ILE A 109 13.467 8.165 -1.870 1.00 0.00 C ATOM 1770 CD1 ILE A 109 11.068 6.973 0.723 1.00 0.00 C ATOM 0 H ILE A 109 10.908 9.759 -2.606 1.00 0.00 H new ATOM 0 HA ILE A 109 11.374 10.031 0.106 1.00 0.00 H new ATOM 0 HB ILE A 109 11.370 7.985 -1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 109 13.144 6.933 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.631 8.382 1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.626 7.095 -2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.331 8.634 -2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.334 8.602 -1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.225 6.474 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.269 7.707 0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.790 6.236 -0.030 1.00 0.00 H new ATOM 1782 N PRO A 110 13.664 10.992 0.601 1.00 0.00 N ATOM 1783 CA PRO A 110 14.905 11.725 0.880 1.00 0.00 C ATOM 1784 C PRO A 110 16.146 10.905 0.539 1.00 0.00 C ATOM 1785 O PRO A 110 16.909 10.504 1.420 1.00 0.00 O ATOM 1786 CB PRO A 110 14.838 12.001 2.389 1.00 0.00 C ATOM 1787 CG PRO A 110 13.416 11.757 2.771 1.00 0.00 C ATOM 1788 CD PRO A 110 12.928 10.694 1.838 1.00 0.00 C ATOM 0 HA PRO A 110 14.985 12.630 0.278 1.00 0.00 H new ATOM 0 HB2 PRO A 110 15.511 11.344 2.939 1.00 0.00 H new ATOM 0 HB3 PRO A 110 15.136 13.025 2.615 1.00 0.00 H new ATOM 0 HG2 PRO A 110 13.338 11.434 3.809 1.00 0.00 H new ATOM 0 HG3 PRO A 110 12.822 12.666 2.675 1.00 0.00 H new ATOM 0 HD2 PRO A 110 13.150 9.694 2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 110 11.849 10.747 1.691 1.00 0.00 H new ATOM 1796 N GLU A 111 16.346 10.668 -0.730 1.00 0.00 N ATOM 1797 CA GLU A 111 17.495 9.899 -1.196 1.00 0.00 C ATOM 1798 C GLU A 111 18.736 10.776 -1.273 1.00 0.00 C ATOM 1799 O GLU A 111 19.265 11.037 -2.354 1.00 0.00 O ATOM 1800 CB GLU A 111 17.215 9.253 -2.561 1.00 0.00 C ATOM 1801 CG GLU A 111 16.079 9.902 -3.345 1.00 0.00 C ATOM 1802 CD GLU A 111 16.054 9.475 -4.800 1.00 0.00 C ATOM 1803 OE1 GLU A 111 16.959 9.893 -5.553 1.00 0.00 O ATOM 1804 OE2 GLU A 111 15.136 8.727 -5.183 1.00 0.00 O ATOM 0 H GLU A 111 15.729 10.995 -1.474 1.00 0.00 H new ATOM 0 HA GLU A 111 17.675 9.103 -0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 111 18.124 9.293 -3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 111 16.980 8.200 -2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 111 15.128 9.645 -2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 111 16.178 10.986 -3.290 1.00 0.00 H new ATOM 1811 N GLU A 112 19.191 11.235 -0.112 1.00 0.00 N ATOM 1812 CA GLU A 112 20.369 12.088 -0.036 1.00 0.00 C ATOM 1813 C GLU A 112 21.646 11.259 -0.159 1.00 0.00 C ATOM 1814 O GLU A 112 22.204 11.203 -1.270 1.00 0.00 O ATOM 1815 CB GLU A 112 20.385 12.893 1.255 1.00 0.00 C ATOM 1816 CG GLU A 112 19.334 12.479 2.271 1.00 0.00 C ATOM 1817 CD GLU A 112 19.389 13.308 3.536 1.00 0.00 C ATOM 1818 OE1 GLU A 112 18.925 14.469 3.508 1.00 0.00 O ATOM 1819 OE2 GLU A 112 19.895 12.800 4.561 1.00 0.00 O ATOM 1820 OXT GLU A 112 22.070 10.676 0.840 1.00 0.00 O ATOM 0 H GLU A 112 18.761 11.030 0.790 1.00 0.00 H new ATOM 0 HA GLU A 112 20.325 12.787 -0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 112 21.370 12.801 1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 112 20.243 13.946 1.013 1.00 0.00 H new ATOM 0 HG2 GLU A 112 18.345 12.572 1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 112 19.472 11.428 2.524 1.00 0.00 H new