USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 625 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 56 SER OG : rot -10:sc= 0.502 USER MOD Set 1.2: A 60 ASN : amide:sc= -1.42 K(o=-0.92,f=0.15) USER MOD Single : A 10 SER OG : rot -160:sc= -0.433 USER MOD Single : A 11 TYR OH : rot -27:sc= -0.454! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -2.13! USER MOD Single : A 26 THR OG1 : rot 69:sc= 1.28 USER MOD Single : A 28 TYR OH : rot -129:sc= 0.191 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.166 X(o=0.17,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -4.32! K(o=-4.3!,f=-0.73) USER MOD Single : A 50 SER OG : rot 116:sc= -0.0444 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot -70:sc= -2.37! USER MOD Single : A 55 HIS : no HD1:sc= -2.56! K(o=-2.6!,f=0.54) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 70 SER OG : rot 50:sc= 0.123 USER MOD Single : A 71 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-4.1!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -24:sc= 0.00437 USER MOD Single : A 78 ASN : amide:sc= 0.599 K(o=0.6,f=-2.8!) USER MOD Single : A 79 ASN : amide:sc= -0.998 X(o=-1,f=-1.2!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.331 USER MOD ----------------------------------------------------------------- ATOM 71 N LEU A 6 4.735 -5.333 2.867 1.00 0.00 N ATOM 72 CA LEU A 6 5.130 -6.278 1.830 1.00 0.00 C ATOM 73 C LEU A 6 6.647 -6.418 1.813 1.00 0.00 C ATOM 74 O LEU A 6 7.379 -5.496 2.178 1.00 0.00 O ATOM 75 CB LEU A 6 4.650 -5.809 0.441 1.00 0.00 C ATOM 76 CG LEU A 6 3.161 -5.999 0.111 1.00 0.00 C ATOM 77 CD1 LEU A 6 2.760 -7.460 0.238 1.00 0.00 C ATOM 78 CD2 LEU A 6 2.289 -5.118 0.990 1.00 0.00 C ATOM 0 HA LEU A 6 4.668 -7.240 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.885 -4.749 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.233 -6.337 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 6 3.006 -5.695 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.702 -7.569 -0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.351 -8.061 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.939 -7.799 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.241 -5.273 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.449 -5.376 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.550 -4.072 0.830 1.00 0.00 H new ATOM 90 N PRO A 7 7.119 -7.598 1.430 1.00 0.00 N ATOM 91 CA PRO A 7 8.540 -7.863 1.263 1.00 0.00 C ATOM 92 C PRO A 7 9.176 -6.931 0.242 1.00 0.00 C ATOM 93 O PRO A 7 8.523 -6.479 -0.697 1.00 0.00 O ATOM 94 CB PRO A 7 8.607 -9.302 0.747 1.00 0.00 C ATOM 95 CG PRO A 7 7.200 -9.776 0.565 1.00 0.00 C ATOM 96 CD PRO A 7 6.279 -8.763 1.165 1.00 0.00 C ATOM 0 HA PRO A 7 9.079 -7.710 2.198 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.152 -9.347 -0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 7 9.139 -9.939 1.454 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.979 -9.909 -0.494 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.061 -10.745 1.044 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.466 -8.516 0.483 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.823 -9.138 2.082 1.00 0.00 H new ATOM 104 N ILE A 8 10.468 -6.673 0.420 1.00 0.00 N ATOM 105 CA ILE A 8 11.213 -5.778 -0.465 1.00 0.00 C ATOM 106 C ILE A 8 11.191 -6.248 -1.914 1.00 0.00 C ATOM 107 O ILE A 8 11.368 -5.452 -2.832 1.00 0.00 O ATOM 108 CB ILE A 8 12.683 -5.591 -0.025 1.00 0.00 C ATOM 109 CG1 ILE A 8 13.192 -6.773 0.810 1.00 0.00 C ATOM 110 CG2 ILE A 8 12.836 -4.291 0.738 1.00 0.00 C ATOM 111 CD1 ILE A 8 13.223 -8.090 0.062 1.00 0.00 C ATOM 0 H ILE A 8 11.026 -7.073 1.174 1.00 0.00 H new ATOM 0 HA ILE A 8 10.700 -4.819 -0.391 1.00 0.00 H new ATOM 0 HB ILE A 8 13.295 -5.552 -0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 8 14.197 -6.546 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.558 -6.882 1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.875 -4.169 1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 8 12.545 -3.457 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 8 12.198 -4.310 1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 8 13.594 -8.874 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.217 -8.343 -0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.880 -8.002 -0.803 1.00 0.00 H new ATOM 123 N ALA A 9 10.973 -7.539 -2.117 1.00 0.00 N ATOM 124 CA ALA A 9 10.897 -8.090 -3.459 1.00 0.00 C ATOM 125 C ALA A 9 9.574 -7.719 -4.109 1.00 0.00 C ATOM 126 O ALA A 9 9.455 -7.701 -5.333 1.00 0.00 O ATOM 127 CB ALA A 9 11.069 -9.596 -3.434 1.00 0.00 C ATOM 0 H ALA A 9 10.846 -8.222 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 9 11.708 -7.664 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.008 -9.986 -4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.041 -9.844 -3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.282 -10.042 -2.827 1.00 0.00 H new ATOM 133 N SER A 10 8.581 -7.410 -3.283 1.00 0.00 N ATOM 134 CA SER A 10 7.273 -7.008 -3.779 1.00 0.00 C ATOM 135 C SER A 10 7.305 -5.578 -4.310 1.00 0.00 C ATOM 136 O SER A 10 6.386 -5.144 -5.002 1.00 0.00 O ATOM 137 CB SER A 10 6.224 -7.156 -2.680 1.00 0.00 C ATOM 138 OG SER A 10 6.201 -8.490 -2.198 1.00 0.00 O ATOM 0 H SER A 10 8.658 -7.431 -2.266 1.00 0.00 H new ATOM 0 HA SER A 10 7.003 -7.663 -4.607 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.445 -6.470 -1.862 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.242 -6.885 -3.067 1.00 0.00 H new ATOM 0 HG SER A 10 5.349 -8.660 -1.745 1.00 0.00 H new ATOM 144 N TYR A 11 8.366 -4.846 -3.984 1.00 0.00 N ATOM 145 CA TYR A 11 8.561 -3.513 -4.536 1.00 0.00 C ATOM 146 C TYR A 11 9.806 -3.480 -5.414 1.00 0.00 C ATOM 147 O TYR A 11 10.321 -2.404 -5.720 1.00 0.00 O ATOM 148 CB TYR A 11 8.735 -2.461 -3.451 1.00 0.00 C ATOM 149 CG TYR A 11 7.962 -2.700 -2.182 1.00 0.00 C ATOM 150 CD1 TYR A 11 8.596 -3.233 -1.076 1.00 0.00 C ATOM 151 CD2 TYR A 11 6.622 -2.360 -2.076 1.00 0.00 C ATOM 152 CE1 TYR A 11 7.918 -3.421 0.109 1.00 0.00 C ATOM 153 CE2 TYR A 11 5.934 -2.551 -0.899 1.00 0.00 C ATOM 154 CZ TYR A 11 6.585 -3.078 0.188 1.00 0.00 C ATOM 155 OH TYR A 11 5.906 -3.237 1.368 1.00 0.00 O ATOM 0 H TYR A 11 9.099 -5.152 -3.344 1.00 0.00 H new ATOM 0 HA TYR A 11 7.666 -3.286 -5.115 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.794 -2.393 -3.203 1.00 0.00 H new ATOM 0 HB3 TYR A 11 8.440 -1.494 -3.858 1.00 0.00 H new ATOM 0 HD1 TYR A 11 9.639 -3.506 -1.141 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.111 -1.939 -2.929 1.00 0.00 H new ATOM 0 HE1 TYR A 11 8.426 -3.833 0.968 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.889 -2.288 -0.832 1.00 0.00 H new ATOM 0 HH TYR A 11 6.320 -3.956 1.890 1.00 0.00 H new ATOM 165 N ALA A 12 10.307 -4.655 -5.793 1.00 0.00 N ATOM 166 CA ALA A 12 11.532 -4.742 -6.583 1.00 0.00 C ATOM 167 C ALA A 12 11.414 -3.952 -7.886 1.00 0.00 C ATOM 168 O ALA A 12 10.656 -4.324 -8.789 1.00 0.00 O ATOM 169 CB ALA A 12 11.873 -6.194 -6.874 1.00 0.00 C ATOM 0 H ALA A 12 9.885 -5.556 -5.566 1.00 0.00 H new ATOM 0 HA ALA A 12 12.338 -4.300 -5.997 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.789 -6.242 -7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.018 -6.729 -5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.058 -6.654 -7.432 1.00 0.00 H new ATOM 175 N GLY A 13 12.167 -2.859 -7.968 1.00 0.00 N ATOM 176 CA GLY A 13 12.135 -1.996 -9.133 1.00 0.00 C ATOM 177 C GLY A 13 10.823 -1.253 -9.247 1.00 0.00 C ATOM 178 O GLY A 13 10.309 -1.039 -10.347 1.00 0.00 O ATOM 0 H GLY A 13 12.808 -2.553 -7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.955 -1.280 -9.077 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.294 -2.592 -10.031 1.00 0.00 H new ATOM 182 N LEU A 14 10.282 -0.858 -8.106 1.00 0.00 N ATOM 183 CA LEU A 14 8.965 -0.243 -8.057 1.00 0.00 C ATOM 184 C LEU A 14 8.978 1.003 -7.186 1.00 0.00 C ATOM 185 O LEU A 14 9.867 1.183 -6.356 1.00 0.00 O ATOM 186 CB LEU A 14 7.943 -1.254 -7.531 1.00 0.00 C ATOM 187 CG LEU A 14 7.820 -2.527 -8.373 1.00 0.00 C ATOM 188 CD1 LEU A 14 6.918 -3.543 -7.697 1.00 0.00 C ATOM 189 CD2 LEU A 14 7.304 -2.203 -9.765 1.00 0.00 C ATOM 0 H LEU A 14 10.736 -0.953 -7.198 1.00 0.00 H new ATOM 0 HA LEU A 14 8.683 0.058 -9.066 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.216 -1.532 -6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.967 -0.772 -7.479 1.00 0.00 H new ATOM 0 HG LEU A 14 8.814 -2.964 -8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.848 -4.437 -8.317 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.333 -3.807 -6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.924 -3.116 -7.564 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.224 -3.122 -10.346 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.323 -1.735 -9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.995 -1.520 -10.259 1.00 0.00 H new ATOM 201 N THR A 15 7.995 1.864 -7.387 1.00 0.00 N ATOM 202 CA THR A 15 7.914 3.113 -6.652 1.00 0.00 C ATOM 203 C THR A 15 6.835 3.025 -5.575 1.00 0.00 C ATOM 204 O THR A 15 5.664 2.787 -5.874 1.00 0.00 O ATOM 205 CB THR A 15 7.604 4.287 -7.600 1.00 0.00 C ATOM 206 OG1 THR A 15 7.917 3.918 -8.951 1.00 0.00 O ATOM 207 CG2 THR A 15 8.413 5.519 -7.224 1.00 0.00 C ATOM 0 H THR A 15 7.239 1.719 -8.056 1.00 0.00 H new ATOM 0 HA THR A 15 8.880 3.290 -6.180 1.00 0.00 H new ATOM 0 HB THR A 15 6.543 4.520 -7.512 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.716 4.667 -9.550 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.175 6.333 -7.909 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.168 5.818 -6.205 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.477 5.289 -7.288 1.00 0.00 H new ATOM 215 N VAL A 16 7.240 3.208 -4.328 1.00 0.00 N ATOM 216 CA VAL A 16 6.333 3.110 -3.193 1.00 0.00 C ATOM 217 C VAL A 16 6.174 4.462 -2.519 1.00 0.00 C ATOM 218 O VAL A 16 7.035 5.331 -2.637 1.00 0.00 O ATOM 219 CB VAL A 16 6.839 2.080 -2.172 1.00 0.00 C ATOM 220 CG1 VAL A 16 7.001 0.729 -2.839 1.00 0.00 C ATOM 221 CG2 VAL A 16 8.143 2.530 -1.543 1.00 0.00 C ATOM 0 H VAL A 16 8.203 3.428 -4.074 1.00 0.00 H new ATOM 0 HA VAL A 16 5.364 2.782 -3.569 1.00 0.00 H new ATOM 0 HB VAL A 16 6.102 1.992 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.360 0.004 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.040 0.401 -3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.720 0.810 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.478 1.782 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.899 2.651 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.992 3.481 -1.032 1.00 0.00 H new ATOM 231 N SER A 17 5.067 4.640 -1.819 1.00 0.00 N ATOM 232 CA SER A 17 4.781 5.905 -1.163 1.00 0.00 C ATOM 233 C SER A 17 5.689 6.096 0.045 1.00 0.00 C ATOM 234 O SER A 17 6.302 5.141 0.512 1.00 0.00 O ATOM 235 CB SER A 17 3.316 5.970 -0.732 1.00 0.00 C ATOM 236 OG SER A 17 2.974 7.273 -0.289 1.00 0.00 O ATOM 0 H SER A 17 4.351 3.925 -1.690 1.00 0.00 H new ATOM 0 HA SER A 17 4.970 6.708 -1.876 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.675 5.686 -1.566 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.136 5.251 0.068 1.00 0.00 H new ATOM 0 HG SER A 17 2.032 7.290 -0.020 1.00 0.00 H new ATOM 242 N ALA A 18 5.772 7.316 0.552 1.00 0.00 N ATOM 243 CA ALA A 18 6.593 7.600 1.723 1.00 0.00 C ATOM 244 C ALA A 18 6.225 6.696 2.919 1.00 0.00 C ATOM 245 O ALA A 18 7.115 6.115 3.530 1.00 0.00 O ATOM 246 CB ALA A 18 6.502 9.070 2.097 1.00 0.00 C ATOM 0 H ALA A 18 5.282 8.126 0.173 1.00 0.00 H new ATOM 0 HA ALA A 18 7.627 7.375 1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.122 9.262 2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.853 9.680 1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.466 9.325 2.322 1.00 0.00 H new ATOM 252 N PRO A 19 4.917 6.547 3.264 1.00 0.00 N ATOM 253 CA PRO A 19 4.479 5.668 4.364 1.00 0.00 C ATOM 254 C PRO A 19 5.065 4.256 4.285 1.00 0.00 C ATOM 255 O PRO A 19 5.452 3.679 5.299 1.00 0.00 O ATOM 256 CB PRO A 19 2.963 5.608 4.189 1.00 0.00 C ATOM 257 CG PRO A 19 2.608 6.888 3.527 1.00 0.00 C ATOM 258 CD PRO A 19 3.772 7.246 2.650 1.00 0.00 C ATOM 0 HA PRO A 19 4.810 6.054 5.328 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.668 4.753 3.581 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.457 5.506 5.149 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.696 6.782 2.939 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.422 7.669 4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.611 6.920 1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.932 8.324 2.621 1.00 0.00 H new ATOM 266 N VAL A 20 5.130 3.704 3.078 1.00 0.00 N ATOM 267 CA VAL A 20 5.657 2.364 2.877 1.00 0.00 C ATOM 268 C VAL A 20 7.178 2.413 2.755 1.00 0.00 C ATOM 269 O VAL A 20 7.877 1.571 3.307 1.00 0.00 O ATOM 270 CB VAL A 20 5.004 1.673 1.637 1.00 0.00 C ATOM 271 CG1 VAL A 20 4.544 2.694 0.619 1.00 0.00 C ATOM 272 CG2 VAL A 20 5.951 0.676 0.976 1.00 0.00 C ATOM 0 H VAL A 20 4.823 4.168 2.223 1.00 0.00 H new ATOM 0 HA VAL A 20 5.402 1.759 3.747 1.00 0.00 H new ATOM 0 HB VAL A 20 4.136 1.126 2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.094 2.182 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.808 3.356 1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.398 3.280 0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.457 0.219 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.850 1.194 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.223 -0.098 1.694 1.00 0.00 H new ATOM 282 N PHE A 21 7.672 3.436 2.071 1.00 0.00 N ATOM 283 CA PHE A 21 9.100 3.629 1.855 1.00 0.00 C ATOM 284 C PHE A 21 9.841 3.834 3.175 1.00 0.00 C ATOM 285 O PHE A 21 10.783 3.111 3.492 1.00 0.00 O ATOM 286 CB PHE A 21 9.314 4.847 0.962 1.00 0.00 C ATOM 287 CG PHE A 21 10.705 4.964 0.436 1.00 0.00 C ATOM 288 CD1 PHE A 21 11.668 5.669 1.131 1.00 0.00 C ATOM 289 CD2 PHE A 21 11.047 4.362 -0.759 1.00 0.00 C ATOM 290 CE1 PHE A 21 12.955 5.769 0.646 1.00 0.00 C ATOM 291 CE2 PHE A 21 12.329 4.457 -1.253 1.00 0.00 C ATOM 292 CZ PHE A 21 13.287 5.160 -0.551 1.00 0.00 C ATOM 0 H PHE A 21 7.090 4.159 1.648 1.00 0.00 H new ATOM 0 HA PHE A 21 9.497 2.733 1.377 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.620 4.799 0.123 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.070 5.748 1.525 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.410 6.147 2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.301 3.811 -1.312 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.701 6.321 1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.584 3.982 -2.189 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.294 5.235 -0.935 1.00 0.00 H new ATOM 302 N ALA A 22 9.403 4.830 3.936 1.00 0.00 N ATOM 303 CA ALA A 22 10.037 5.177 5.200 1.00 0.00 C ATOM 304 C ALA A 22 9.958 4.018 6.176 1.00 0.00 C ATOM 305 O ALA A 22 10.888 3.770 6.948 1.00 0.00 O ATOM 306 CB ALA A 22 9.384 6.416 5.793 1.00 0.00 C ATOM 0 H ALA A 22 8.603 5.416 3.696 1.00 0.00 H new ATOM 0 HA ALA A 22 11.089 5.392 5.011 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.867 6.665 6.738 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.491 7.251 5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.326 6.222 5.967 1.00 0.00 H new ATOM 312 N ALA A 23 8.850 3.292 6.124 1.00 0.00 N ATOM 313 CA ALA A 23 8.662 2.142 6.975 1.00 0.00 C ATOM 314 C ALA A 23 9.558 1.010 6.517 1.00 0.00 C ATOM 315 O ALA A 23 10.141 0.300 7.326 1.00 0.00 O ATOM 316 CB ALA A 23 7.215 1.716 6.950 1.00 0.00 C ATOM 0 H ALA A 23 8.069 3.486 5.497 1.00 0.00 H new ATOM 0 HA ALA A 23 8.929 2.404 7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.080 0.847 7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.589 2.534 7.307 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.929 1.459 5.930 1.00 0.00 H new ATOM 322 N LEU A 24 9.661 0.860 5.208 1.00 0.00 N ATOM 323 CA LEU A 24 10.571 -0.091 4.597 1.00 0.00 C ATOM 324 C LEU A 24 11.996 0.170 5.052 1.00 0.00 C ATOM 325 O LEU A 24 12.686 -0.737 5.471 1.00 0.00 O ATOM 326 CB LEU A 24 10.493 0.040 3.088 1.00 0.00 C ATOM 327 CG LEU A 24 9.796 -1.089 2.333 1.00 0.00 C ATOM 328 CD1 LEU A 24 8.597 -1.623 3.101 1.00 0.00 C ATOM 329 CD2 LEU A 24 9.368 -0.566 0.978 1.00 0.00 C ATOM 0 H LEU A 24 9.113 1.397 4.536 1.00 0.00 H new ATOM 0 HA LEU A 24 10.284 -1.098 4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.979 0.972 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.508 0.130 2.702 1.00 0.00 H new ATOM 0 HG LEU A 24 10.492 -1.920 2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.128 -2.425 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.925 -2.008 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.877 -0.819 3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.867 -1.360 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.683 0.271 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.245 -0.233 0.423 1.00 0.00 H new ATOM 341 N VAL A 25 12.426 1.418 4.969 1.00 0.00 N ATOM 342 CA VAL A 25 13.754 1.803 5.447 1.00 0.00 C ATOM 343 C VAL A 25 13.890 1.515 6.941 1.00 0.00 C ATOM 344 O VAL A 25 14.982 1.274 7.452 1.00 0.00 O ATOM 345 CB VAL A 25 14.048 3.296 5.184 1.00 0.00 C ATOM 346 CG1 VAL A 25 15.416 3.678 5.725 1.00 0.00 C ATOM 347 CG2 VAL A 25 13.966 3.600 3.699 1.00 0.00 C ATOM 0 H VAL A 25 11.880 2.185 4.577 1.00 0.00 H new ATOM 0 HA VAL A 25 14.479 1.208 4.892 1.00 0.00 H new ATOM 0 HB VAL A 25 13.295 3.888 5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.603 4.734 5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.446 3.498 6.800 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.182 3.077 5.235 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.176 4.656 3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 25 14.698 2.995 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.966 3.367 3.335 1.00 0.00 H new ATOM 357 N THR A 26 12.768 1.515 7.627 1.00 0.00 N ATOM 358 CA THR A 26 12.744 1.230 9.052 1.00 0.00 C ATOM 359 C THR A 26 13.039 -0.251 9.329 1.00 0.00 C ATOM 360 O THR A 26 13.708 -0.591 10.307 1.00 0.00 O ATOM 361 CB THR A 26 11.379 1.620 9.664 1.00 0.00 C ATOM 362 OG1 THR A 26 11.171 3.034 9.532 1.00 0.00 O ATOM 363 CG2 THR A 26 11.300 1.219 11.128 1.00 0.00 C ATOM 0 H THR A 26 11.853 1.710 7.221 1.00 0.00 H new ATOM 0 HA THR A 26 13.525 1.828 9.520 1.00 0.00 H new ATOM 0 HB THR A 26 10.598 1.086 9.123 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.043 3.259 8.587 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.329 1.506 11.532 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.426 0.140 11.217 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.089 1.723 11.686 1.00 0.00 H new ATOM 371 N VAL A 27 12.554 -1.129 8.460 1.00 0.00 N ATOM 372 CA VAL A 27 12.719 -2.564 8.653 1.00 0.00 C ATOM 373 C VAL A 27 13.794 -3.134 7.723 1.00 0.00 C ATOM 374 O VAL A 27 14.739 -3.785 8.167 1.00 0.00 O ATOM 375 CB VAL A 27 11.367 -3.309 8.463 1.00 0.00 C ATOM 376 CG1 VAL A 27 10.476 -2.598 7.460 1.00 0.00 C ATOM 377 CG2 VAL A 27 11.583 -4.736 8.010 1.00 0.00 C ATOM 0 H VAL A 27 12.043 -0.873 7.615 1.00 0.00 H new ATOM 0 HA VAL A 27 13.053 -2.723 9.678 1.00 0.00 H new ATOM 0 HB VAL A 27 10.874 -3.314 9.435 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.540 -3.146 7.352 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.266 -1.588 7.812 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.981 -2.549 6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.618 -5.229 7.887 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.116 -4.739 7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.170 -5.270 8.757 1.00 0.00 H new ATOM 387 N TYR A 28 13.653 -2.859 6.440 1.00 0.00 N ATOM 388 CA TYR A 28 14.564 -3.367 5.429 1.00 0.00 C ATOM 389 C TYR A 28 15.773 -2.453 5.293 1.00 0.00 C ATOM 390 O TYR A 28 16.865 -2.883 4.926 1.00 0.00 O ATOM 391 CB TYR A 28 13.831 -3.484 4.094 1.00 0.00 C ATOM 392 CG TYR A 28 12.579 -4.317 4.190 1.00 0.00 C ATOM 393 CD1 TYR A 28 12.645 -5.702 4.259 1.00 0.00 C ATOM 394 CD2 TYR A 28 11.331 -3.717 4.231 1.00 0.00 C ATOM 395 CE1 TYR A 28 11.499 -6.461 4.369 1.00 0.00 C ATOM 396 CE2 TYR A 28 10.182 -4.469 4.337 1.00 0.00 C ATOM 397 CZ TYR A 28 10.271 -5.842 4.407 1.00 0.00 C ATOM 398 OH TYR A 28 9.130 -6.599 4.524 1.00 0.00 O ATOM 0 H TYR A 28 12.903 -2.276 6.068 1.00 0.00 H new ATOM 0 HA TYR A 28 14.917 -4.353 5.731 1.00 0.00 H new ATOM 0 HB2 TYR A 28 13.573 -2.487 3.737 1.00 0.00 H new ATOM 0 HB3 TYR A 28 14.500 -3.924 3.354 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.607 -6.192 4.226 1.00 0.00 H new ATOM 0 HD2 TYR A 28 11.258 -2.641 4.179 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.565 -7.538 4.425 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.217 -3.985 4.365 1.00 0.00 H new ATOM 0 HH TYR A 28 8.492 -6.338 3.828 1.00 0.00 H new ATOM 408 N GLY A 29 15.565 -1.182 5.592 1.00 0.00 N ATOM 409 CA GLY A 29 16.637 -0.224 5.508 1.00 0.00 C ATOM 410 C GLY A 29 16.740 0.378 4.130 1.00 0.00 C ATOM 411 O GLY A 29 16.162 -0.142 3.173 1.00 0.00 O ATOM 0 H GLY A 29 14.669 -0.799 5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.476 0.568 6.240 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.579 -0.709 5.765 1.00 0.00 H new ATOM 415 N ALA A 30 17.468 1.474 4.022 1.00 0.00 N ATOM 416 CA ALA A 30 17.695 2.103 2.735 1.00 0.00 C ATOM 417 C ALA A 30 18.572 1.205 1.881 1.00 0.00 C ATOM 418 O ALA A 30 18.497 1.231 0.656 1.00 0.00 O ATOM 419 CB ALA A 30 18.334 3.472 2.911 1.00 0.00 C ATOM 0 H ALA A 30 17.912 1.946 4.810 1.00 0.00 H new ATOM 0 HA ALA A 30 16.738 2.245 2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 30 18.496 3.926 1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 30 17.675 4.108 3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 30 19.290 3.364 3.424 1.00 0.00 H new ATOM 425 N TYR A 31 19.384 0.396 2.554 1.00 0.00 N ATOM 426 CA TYR A 31 20.265 -0.552 1.898 1.00 0.00 C ATOM 427 C TYR A 31 19.465 -1.592 1.119 1.00 0.00 C ATOM 428 O TYR A 31 19.697 -1.791 -0.069 1.00 0.00 O ATOM 429 CB TYR A 31 21.146 -1.236 2.941 1.00 0.00 C ATOM 430 CG TYR A 31 22.480 -1.682 2.399 1.00 0.00 C ATOM 431 CD1 TYR A 31 23.541 -0.793 2.328 1.00 0.00 C ATOM 432 CD2 TYR A 31 22.682 -2.980 1.959 1.00 0.00 C ATOM 433 CE1 TYR A 31 24.768 -1.183 1.832 1.00 0.00 C ATOM 434 CE2 TYR A 31 23.907 -3.379 1.460 1.00 0.00 C ATOM 435 CZ TYR A 31 24.947 -2.477 1.398 1.00 0.00 C ATOM 436 OH TYR A 31 26.169 -2.872 0.901 1.00 0.00 O ATOM 0 H TYR A 31 19.447 0.383 3.572 1.00 0.00 H new ATOM 0 HA TYR A 31 20.894 -0.012 1.190 1.00 0.00 H new ATOM 0 HB2 TYR A 31 21.311 -0.550 3.772 1.00 0.00 H new ATOM 0 HB3 TYR A 31 20.617 -2.101 3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 31 23.405 0.223 2.667 1.00 0.00 H new ATOM 0 HD2 TYR A 31 21.870 -3.690 2.007 1.00 0.00 H new ATOM 0 HE1 TYR A 31 25.584 -0.477 1.785 1.00 0.00 H new ATOM 0 HE2 TYR A 31 24.049 -4.394 1.120 1.00 0.00 H new ATOM 0 HH TYR A 31 26.126 -3.816 0.640 1.00 0.00 H new ATOM 446 N ALA A 32 18.514 -2.246 1.784 1.00 0.00 N ATOM 447 CA ALA A 32 17.689 -3.251 1.130 1.00 0.00 C ATOM 448 C ALA A 32 16.806 -2.624 0.062 1.00 0.00 C ATOM 449 O ALA A 32 16.634 -3.187 -1.016 1.00 0.00 O ATOM 450 CB ALA A 32 16.843 -3.998 2.141 1.00 0.00 C ATOM 0 H ALA A 32 18.299 -2.097 2.770 1.00 0.00 H new ATOM 0 HA ALA A 32 18.357 -3.963 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 32 16.236 -4.743 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 32 17.492 -4.494 2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 32 16.192 -3.295 2.661 1.00 0.00 H new ATOM 456 N LEU A 33 16.253 -1.453 0.350 1.00 0.00 N ATOM 457 CA LEU A 33 15.436 -0.751 -0.628 1.00 0.00 C ATOM 458 C LEU A 33 16.265 -0.354 -1.846 1.00 0.00 C ATOM 459 O LEU A 33 15.782 -0.368 -2.974 1.00 0.00 O ATOM 460 CB LEU A 33 14.776 0.471 0.006 1.00 0.00 C ATOM 461 CG LEU A 33 13.329 0.260 0.429 1.00 0.00 C ATOM 462 CD1 LEU A 33 13.222 -0.902 1.400 1.00 0.00 C ATOM 463 CD2 LEU A 33 12.784 1.526 1.056 1.00 0.00 C ATOM 0 H LEU A 33 16.354 -0.974 1.245 1.00 0.00 H new ATOM 0 HA LEU A 33 14.650 -1.426 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.356 0.769 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 33 14.817 1.299 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 33 12.737 0.022 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.181 -1.038 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.586 -1.811 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.822 -0.693 2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.748 1.367 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.380 1.784 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.831 2.340 0.332 1.00 0.00 H new ATOM 475 N TYR A 34 17.525 -0.035 -1.605 1.00 0.00 N ATOM 476 CA TYR A 34 18.463 0.273 -2.672 1.00 0.00 C ATOM 477 C TYR A 34 18.798 -0.999 -3.436 1.00 0.00 C ATOM 478 O TYR A 34 18.981 -0.986 -4.652 1.00 0.00 O ATOM 479 CB TYR A 34 19.729 0.899 -2.075 1.00 0.00 C ATOM 480 CG TYR A 34 20.939 0.858 -2.976 1.00 0.00 C ATOM 481 CD1 TYR A 34 21.192 1.877 -3.884 1.00 0.00 C ATOM 482 CD2 TYR A 34 21.836 -0.199 -2.904 1.00 0.00 C ATOM 483 CE1 TYR A 34 22.307 1.843 -4.698 1.00 0.00 C ATOM 484 CE2 TYR A 34 22.951 -0.243 -3.715 1.00 0.00 C ATOM 485 CZ TYR A 34 23.182 0.781 -4.609 1.00 0.00 C ATOM 486 OH TYR A 34 24.297 0.743 -5.414 1.00 0.00 O ATOM 0 H TYR A 34 17.926 0.018 -0.669 1.00 0.00 H new ATOM 0 HA TYR A 34 18.016 0.986 -3.365 1.00 0.00 H new ATOM 0 HB2 TYR A 34 19.518 1.937 -1.820 1.00 0.00 H new ATOM 0 HB3 TYR A 34 19.968 0.384 -1.145 1.00 0.00 H new ATOM 0 HD1 TYR A 34 20.507 2.709 -3.955 1.00 0.00 H new ATOM 0 HD2 TYR A 34 21.658 -1.000 -2.202 1.00 0.00 H new ATOM 0 HE1 TYR A 34 22.492 2.643 -5.400 1.00 0.00 H new ATOM 0 HE2 TYR A 34 23.638 -1.074 -3.650 1.00 0.00 H new ATOM 0 HH TYR A 34 24.809 -0.071 -5.226 1.00 0.00 H new ATOM 496 N ARG A 35 18.843 -2.102 -2.703 1.00 0.00 N ATOM 497 CA ARG A 35 19.186 -3.397 -3.265 1.00 0.00 C ATOM 498 C ARG A 35 18.135 -3.859 -4.261 1.00 0.00 C ATOM 499 O ARG A 35 18.452 -4.481 -5.273 1.00 0.00 O ATOM 500 CB ARG A 35 19.316 -4.429 -2.150 1.00 0.00 C ATOM 501 CG ARG A 35 20.669 -4.454 -1.474 1.00 0.00 C ATOM 502 CD ARG A 35 20.719 -5.556 -0.431 1.00 0.00 C ATOM 503 NE ARG A 35 22.046 -5.711 0.160 1.00 0.00 N ATOM 504 CZ ARG A 35 22.340 -6.620 1.095 1.00 0.00 C ATOM 505 NH1 ARG A 35 21.387 -7.402 1.588 1.00 0.00 N ATOM 506 NH2 ARG A 35 23.585 -6.739 1.542 1.00 0.00 N ATOM 0 H ARG A 35 18.643 -2.123 -1.703 1.00 0.00 H new ATOM 0 HA ARG A 35 20.137 -3.296 -3.788 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.552 -4.231 -1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 35 19.111 -5.417 -2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 35 21.451 -4.612 -2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 35 20.866 -3.490 -1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 35 19.998 -5.338 0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 35 20.417 -6.498 -0.889 1.00 0.00 H new ATOM 0 HE ARG A 35 22.790 -5.091 -0.159 1.00 0.00 H new ATOM 0 HH11 ARG A 35 20.428 -7.310 1.253 1.00 0.00 H new ATOM 0 HH12 ARG A 35 21.614 -8.095 2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 35 24.320 -6.136 1.172 1.00 0.00 H new ATOM 0 HH22 ARG A 35 23.807 -7.433 2.256 1.00 0.00 H new ATOM 520 N TYR A 36 16.885 -3.554 -3.968 1.00 0.00 N ATOM 521 CA TYR A 36 15.782 -4.006 -4.799 1.00 0.00 C ATOM 522 C TYR A 36 15.265 -2.904 -5.706 1.00 0.00 C ATOM 523 O TYR A 36 14.215 -3.046 -6.321 1.00 0.00 O ATOM 524 CB TYR A 36 14.661 -4.550 -3.917 1.00 0.00 C ATOM 525 CG TYR A 36 15.052 -5.834 -3.232 1.00 0.00 C ATOM 526 CD1 TYR A 36 14.751 -7.064 -3.794 1.00 0.00 C ATOM 527 CD2 TYR A 36 15.746 -5.809 -2.036 1.00 0.00 C ATOM 528 CE1 TYR A 36 15.134 -8.239 -3.175 1.00 0.00 C ATOM 529 CE2 TYR A 36 16.133 -6.970 -1.410 1.00 0.00 C ATOM 530 CZ TYR A 36 15.828 -8.184 -1.982 1.00 0.00 C ATOM 531 OH TYR A 36 16.210 -9.348 -1.352 1.00 0.00 O ATOM 0 H TYR A 36 16.607 -2.995 -3.161 1.00 0.00 H new ATOM 0 HA TYR A 36 16.152 -4.802 -5.445 1.00 0.00 H new ATOM 0 HB2 TYR A 36 14.397 -3.805 -3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 36 13.772 -4.720 -4.525 1.00 0.00 H new ATOM 0 HD1 TYR A 36 14.210 -7.105 -4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 36 15.989 -4.858 -1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 36 14.893 -9.193 -3.621 1.00 0.00 H new ATOM 0 HE2 TYR A 36 16.673 -6.930 -0.475 1.00 0.00 H new ATOM 0 HH TYR A 36 16.690 -9.130 -0.526 1.00 0.00 H new ATOM 541 N ASN A 37 16.031 -1.819 -5.794 1.00 0.00 N ATOM 542 CA ASN A 37 15.683 -0.668 -6.629 1.00 0.00 C ATOM 543 C ASN A 37 14.283 -0.168 -6.289 1.00 0.00 C ATOM 544 O ASN A 37 13.439 0.051 -7.165 1.00 0.00 O ATOM 545 CB ASN A 37 15.774 -1.021 -8.117 1.00 0.00 C ATOM 546 CG ASN A 37 15.999 0.202 -8.987 1.00 0.00 C ATOM 547 OD1 ASN A 37 17.138 0.563 -9.286 1.00 0.00 O ATOM 548 ND2 ASN A 37 14.919 0.848 -9.393 1.00 0.00 N ATOM 0 H ASN A 37 16.911 -1.711 -5.289 1.00 0.00 H new ATOM 0 HA ASN A 37 16.400 0.127 -6.424 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.589 -1.728 -8.271 1.00 0.00 H new ATOM 0 HB3 ASN A 37 14.856 -1.520 -8.426 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.011 1.679 -9.977 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.994 0.515 -9.122 1.00 0.00 H new ATOM 555 N ILE A 38 14.029 -0.029 -5.004 1.00 0.00 N ATOM 556 CA ILE A 38 12.762 0.479 -4.533 1.00 0.00 C ATOM 557 C ILE A 38 12.801 1.996 -4.470 1.00 0.00 C ATOM 558 O ILE A 38 13.719 2.588 -3.901 1.00 0.00 O ATOM 559 CB ILE A 38 12.414 -0.118 -3.158 1.00 0.00 C ATOM 560 CG1 ILE A 38 12.325 -1.640 -3.277 1.00 0.00 C ATOM 561 CG2 ILE A 38 11.111 0.460 -2.635 1.00 0.00 C ATOM 562 CD1 ILE A 38 12.058 -2.344 -1.973 1.00 0.00 C ATOM 0 H ILE A 38 14.691 -0.263 -4.264 1.00 0.00 H new ATOM 0 HA ILE A 38 11.982 0.181 -5.234 1.00 0.00 H new ATOM 0 HB ILE A 38 13.198 0.139 -2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.534 -1.893 -3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.258 -2.016 -3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.884 0.024 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.207 1.541 -2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.305 0.230 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.009 -3.419 -2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.861 -2.124 -1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.110 -1.999 -1.561 1.00 0.00 H new ATOM 574 N ARG A 39 11.811 2.614 -5.081 1.00 0.00 N ATOM 575 CA ARG A 39 11.769 4.057 -5.230 1.00 0.00 C ATOM 576 C ARG A 39 10.701 4.653 -4.329 1.00 0.00 C ATOM 577 O ARG A 39 9.806 3.946 -3.873 1.00 0.00 O ATOM 578 CB ARG A 39 11.450 4.402 -6.680 1.00 0.00 C ATOM 579 CG ARG A 39 12.514 3.993 -7.673 1.00 0.00 C ATOM 580 CD ARG A 39 11.927 3.833 -9.067 1.00 0.00 C ATOM 581 NE ARG A 39 11.281 5.060 -9.535 1.00 0.00 N ATOM 582 CZ ARG A 39 10.548 5.144 -10.647 1.00 0.00 C ATOM 583 NH1 ARG A 39 10.395 4.088 -11.434 1.00 0.00 N ATOM 584 NH2 ARG A 39 9.972 6.292 -10.973 1.00 0.00 N ATOM 0 H ARG A 39 11.011 2.131 -5.489 1.00 0.00 H new ATOM 0 HA ARG A 39 12.738 4.469 -4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.511 3.922 -6.956 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.293 5.478 -6.758 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.306 4.742 -7.692 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.970 3.055 -7.357 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.717 3.552 -9.763 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.201 3.020 -9.063 1.00 0.00 H new ATOM 0 HE ARG A 39 11.399 5.905 -8.976 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.839 3.202 -11.191 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.833 4.161 -12.282 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.089 7.110 -10.374 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.411 6.358 -11.823 1.00 0.00 H new ATOM 598 N ARG A 40 10.787 5.952 -4.085 1.00 0.00 N ATOM 599 CA ARG A 40 9.786 6.634 -3.285 1.00 0.00 C ATOM 600 C ARG A 40 8.983 7.578 -4.163 1.00 0.00 C ATOM 601 O ARG A 40 9.543 8.336 -4.955 1.00 0.00 O ATOM 602 CB ARG A 40 10.429 7.404 -2.135 1.00 0.00 C ATOM 603 CG ARG A 40 9.437 7.837 -1.067 1.00 0.00 C ATOM 604 CD ARG A 40 10.115 8.638 0.031 1.00 0.00 C ATOM 605 NE ARG A 40 10.513 9.960 -0.433 1.00 0.00 N ATOM 606 CZ ARG A 40 11.456 10.705 0.146 1.00 0.00 C ATOM 607 NH1 ARG A 40 12.060 10.281 1.251 1.00 0.00 N ATOM 608 NH2 ARG A 40 11.780 11.883 -0.370 1.00 0.00 N ATOM 0 H ARG A 40 11.537 6.551 -4.429 1.00 0.00 H new ATOM 0 HA ARG A 40 9.121 5.884 -2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.197 6.782 -1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.930 8.286 -2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.649 8.437 -1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.959 6.958 -0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.438 8.739 0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.992 8.098 0.386 1.00 0.00 H new ATOM 0 HE ARG A 40 10.041 10.340 -1.253 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.803 9.383 1.660 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.781 10.854 1.690 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.308 12.219 -1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.501 12.453 0.073 1.00 0.00 H new ATOM 686 N TYR A 45 -3.188 9.492 -2.829 1.00 0.00 N ATOM 687 CA TYR A 45 -4.222 8.542 -3.200 1.00 0.00 C ATOM 688 C TYR A 45 -3.733 7.121 -2.937 1.00 0.00 C ATOM 689 O TYR A 45 -2.787 6.913 -2.182 1.00 0.00 O ATOM 690 CB TYR A 45 -4.610 8.726 -4.677 1.00 0.00 C ATOM 691 CG TYR A 45 -3.468 8.522 -5.647 1.00 0.00 C ATOM 692 CD1 TYR A 45 -3.331 7.333 -6.353 1.00 0.00 C ATOM 693 CD2 TYR A 45 -2.529 9.522 -5.855 1.00 0.00 C ATOM 694 CE1 TYR A 45 -2.284 7.151 -7.238 1.00 0.00 C ATOM 695 CE2 TYR A 45 -1.483 9.349 -6.733 1.00 0.00 C ATOM 696 CZ TYR A 45 -1.362 8.163 -7.423 1.00 0.00 C ATOM 697 OH TYR A 45 -0.313 7.990 -8.298 1.00 0.00 O ATOM 0 HA TYR A 45 -5.110 8.721 -2.594 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.409 8.026 -4.921 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.013 9.730 -4.813 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.051 6.541 -6.209 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.621 10.454 -5.318 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.188 6.223 -7.782 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.761 10.139 -6.880 1.00 0.00 H new ATOM 0 HH TYR A 45 0.240 8.799 -8.309 1.00 0.00 H new ATOM 707 N GLN A 46 -4.383 6.150 -3.550 1.00 0.00 N ATOM 708 CA GLN A 46 -4.014 4.753 -3.375 1.00 0.00 C ATOM 709 C GLN A 46 -3.113 4.273 -4.520 1.00 0.00 C ATOM 710 O GLN A 46 -3.466 4.382 -5.695 1.00 0.00 O ATOM 711 CB GLN A 46 -5.274 3.874 -3.283 1.00 0.00 C ATOM 712 CG GLN A 46 -5.982 3.623 -4.617 1.00 0.00 C ATOM 713 CD GLN A 46 -6.581 4.867 -5.247 1.00 0.00 C ATOM 714 OE1 GLN A 46 -6.637 4.990 -6.467 1.00 0.00 O ATOM 715 NE2 GLN A 46 -7.057 5.782 -4.425 1.00 0.00 N ATOM 0 H GLN A 46 -5.173 6.301 -4.177 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.454 4.666 -2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.998 2.913 -2.848 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.978 4.344 -2.597 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.271 3.182 -5.316 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.774 2.890 -4.463 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.992 5.645 -3.416 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.490 6.627 -4.798 1.00 0.00 H new ATOM 724 N ARG A 47 -1.935 3.775 -4.177 1.00 0.00 N ATOM 725 CA ARG A 47 -1.051 3.167 -5.168 1.00 0.00 C ATOM 726 C ARG A 47 0.031 2.354 -4.468 1.00 0.00 C ATOM 727 O ARG A 47 1.225 2.613 -4.616 1.00 0.00 O ATOM 728 CB ARG A 47 -0.417 4.227 -6.078 1.00 0.00 C ATOM 729 CG ARG A 47 0.110 3.669 -7.393 1.00 0.00 C ATOM 730 CD ARG A 47 -1.017 3.103 -8.245 1.00 0.00 C ATOM 731 NE ARG A 47 -0.536 2.539 -9.503 1.00 0.00 N ATOM 732 CZ ARG A 47 -1.267 1.749 -10.289 1.00 0.00 C ATOM 733 NH1 ARG A 47 -2.514 1.441 -9.953 1.00 0.00 N ATOM 734 NH2 ARG A 47 -0.755 1.273 -11.417 1.00 0.00 N ATOM 0 H ARG A 47 -1.567 3.778 -3.226 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.648 2.506 -5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.156 4.999 -6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.402 4.709 -5.544 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.625 4.456 -7.944 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.844 2.888 -7.191 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.542 2.332 -7.682 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.740 3.891 -8.456 1.00 0.00 H new ATOM 0 HE ARG A 47 0.415 2.763 -9.797 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.916 1.809 -9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.070 0.836 -10.557 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.200 1.512 -11.684 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.317 0.669 -12.017 1.00 0.00 H new ATOM 748 N ILE A 48 -0.401 1.376 -3.692 1.00 0.00 N ATOM 749 CA ILE A 48 0.521 0.518 -2.972 1.00 0.00 C ATOM 750 C ILE A 48 0.666 -0.814 -3.695 1.00 0.00 C ATOM 751 O ILE A 48 -0.333 -1.441 -4.054 1.00 0.00 O ATOM 752 CB ILE A 48 0.037 0.234 -1.535 1.00 0.00 C ATOM 753 CG1 ILE A 48 -0.389 1.532 -0.826 1.00 0.00 C ATOM 754 CG2 ILE A 48 1.130 -0.481 -0.749 1.00 0.00 C ATOM 755 CD1 ILE A 48 0.724 2.545 -0.643 1.00 0.00 C ATOM 0 H ILE A 48 -1.386 1.157 -3.545 1.00 0.00 H new ATOM 0 HA ILE A 48 1.476 1.041 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.838 -0.414 -1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.194 1.995 -1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.797 1.279 0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.780 -0.678 0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.373 -1.424 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.020 0.147 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.333 3.427 -0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.522 2.105 -0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.118 2.832 -1.618 1.00 0.00 H new ATOM 767 N ARG A 49 1.901 -1.246 -3.904 1.00 0.00 N ATOM 768 CA ARG A 49 2.157 -2.539 -4.524 1.00 0.00 C ATOM 769 C ARG A 49 1.900 -3.663 -3.539 1.00 0.00 C ATOM 770 O ARG A 49 2.820 -4.211 -2.937 1.00 0.00 O ATOM 771 CB ARG A 49 3.583 -2.610 -5.060 1.00 0.00 C ATOM 772 CG ARG A 49 3.785 -1.761 -6.296 1.00 0.00 C ATOM 773 CD ARG A 49 2.917 -2.247 -7.448 1.00 0.00 C ATOM 774 NE ARG A 49 3.018 -3.694 -7.649 1.00 0.00 N ATOM 775 CZ ARG A 49 1.973 -4.484 -7.914 1.00 0.00 C ATOM 776 NH1 ARG A 49 0.749 -3.971 -8.009 1.00 0.00 N ATOM 777 NH2 ARG A 49 2.154 -5.786 -8.085 1.00 0.00 N ATOM 0 H ARG A 49 2.740 -0.722 -3.654 1.00 0.00 H new ATOM 0 HA ARG A 49 1.472 -2.655 -5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.275 -2.285 -4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.828 -3.646 -5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.545 -0.722 -6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.834 -1.788 -6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.878 -1.981 -7.254 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.212 -1.734 -8.363 1.00 0.00 H new ATOM 0 HE ARG A 49 3.940 -4.124 -7.583 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.604 -2.970 -7.879 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.045 -4.579 -8.211 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.090 -6.184 -8.014 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.357 -6.389 -8.287 1.00 0.00 H new ATOM 791 N SER A 50 0.631 -3.975 -3.368 1.00 0.00 N ATOM 792 CA SER A 50 0.216 -5.030 -2.459 1.00 0.00 C ATOM 793 C SER A 50 0.220 -6.399 -3.148 1.00 0.00 C ATOM 794 O SER A 50 0.814 -6.566 -4.216 1.00 0.00 O ATOM 795 CB SER A 50 -1.163 -4.690 -1.912 1.00 0.00 C ATOM 796 OG SER A 50 -1.214 -3.329 -1.513 1.00 0.00 O ATOM 0 H SER A 50 -0.138 -3.510 -3.850 1.00 0.00 H new ATOM 0 HA SER A 50 0.927 -5.095 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.920 -4.882 -2.672 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.394 -5.334 -1.063 1.00 0.00 H new ATOM 0 HG SER A 50 -1.858 -2.848 -2.073 1.00 0.00 H new ATOM 802 N ASP A 51 -0.433 -7.369 -2.524 1.00 0.00 N ATOM 803 CA ASP A 51 -0.410 -8.753 -2.996 1.00 0.00 C ATOM 804 C ASP A 51 -1.342 -8.967 -4.197 1.00 0.00 C ATOM 805 O ASP A 51 -1.660 -8.031 -4.932 1.00 0.00 O ATOM 806 CB ASP A 51 -0.801 -9.695 -1.850 1.00 0.00 C ATOM 807 CG ASP A 51 -0.232 -11.095 -1.993 1.00 0.00 C ATOM 808 OD1 ASP A 51 0.820 -11.376 -1.379 1.00 0.00 O ATOM 809 OD2 ASP A 51 -0.833 -11.918 -2.706 1.00 0.00 O ATOM 0 H ASP A 51 -0.991 -7.225 -1.682 1.00 0.00 H new ATOM 0 HA ASP A 51 0.604 -8.976 -3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.460 -9.268 -0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.888 -9.757 -1.797 1.00 0.00 H new ATOM 814 N HIS A 52 -1.777 -10.202 -4.381 1.00 0.00 N ATOM 815 CA HIS A 52 -2.559 -10.591 -5.543 1.00 0.00 C ATOM 816 C HIS A 52 -4.052 -10.391 -5.320 1.00 0.00 C ATOM 817 O HIS A 52 -4.782 -10.060 -6.257 1.00 0.00 O ATOM 818 CB HIS A 52 -2.276 -12.047 -5.895 1.00 0.00 C ATOM 819 CG HIS A 52 -0.915 -12.264 -6.475 1.00 0.00 C ATOM 820 ND1 HIS A 52 -0.657 -12.205 -7.826 1.00 0.00 N ATOM 821 CD2 HIS A 52 0.271 -12.528 -5.880 1.00 0.00 C ATOM 822 CE1 HIS A 52 0.626 -12.423 -8.037 1.00 0.00 C ATOM 823 NE2 HIS A 52 1.215 -12.621 -6.872 1.00 0.00 N ATOM 0 H HIS A 52 -1.598 -10.965 -3.728 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.262 -9.947 -6.371 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.382 -12.657 -4.998 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.026 -12.393 -6.607 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.443 -12.644 -4.820 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.113 -12.437 -9.001 1.00 0.00 H new ATOM 0 HE2 HIS A 52 2.207 -12.812 -6.732 1.00 0.00 H new ATOM 832 N ASP A 53 -4.513 -10.579 -4.083 1.00 0.00 N ATOM 833 CA ASP A 53 -5.935 -10.399 -3.772 1.00 0.00 C ATOM 834 C ASP A 53 -6.299 -8.929 -3.841 1.00 0.00 C ATOM 835 O ASP A 53 -7.465 -8.554 -3.757 1.00 0.00 O ATOM 836 CB ASP A 53 -6.296 -10.928 -2.384 1.00 0.00 C ATOM 837 CG ASP A 53 -5.892 -12.371 -2.175 1.00 0.00 C ATOM 838 OD1 ASP A 53 -6.620 -13.268 -2.645 1.00 0.00 O ATOM 839 OD2 ASP A 53 -4.849 -12.617 -1.534 1.00 0.00 O ATOM 0 H ASP A 53 -3.934 -10.852 -3.289 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.496 -10.969 -4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.812 -10.309 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.371 -10.833 -2.234 1.00 0.00 H new ATOM 844 N SER A 54 -5.279 -8.103 -3.966 1.00 0.00 N ATOM 845 CA SER A 54 -5.452 -6.679 -4.116 1.00 0.00 C ATOM 846 C SER A 54 -6.055 -6.341 -5.469 1.00 0.00 C ATOM 847 O SER A 54 -5.938 -7.109 -6.429 1.00 0.00 O ATOM 848 CB SER A 54 -4.109 -5.993 -3.960 1.00 0.00 C ATOM 849 OG SER A 54 -3.685 -6.008 -2.616 1.00 0.00 O ATOM 0 H SER A 54 -4.305 -8.406 -3.966 1.00 0.00 H new ATOM 0 HA SER A 54 -6.138 -6.327 -3.346 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.368 -6.492 -4.584 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.180 -4.963 -4.311 1.00 0.00 H new ATOM 0 HG SER A 54 -4.254 -5.411 -2.087 1.00 0.00 H new ATOM 855 N HIS A 55 -6.696 -5.185 -5.530 1.00 0.00 N ATOM 856 CA HIS A 55 -7.346 -4.717 -6.755 1.00 0.00 C ATOM 857 C HIS A 55 -7.941 -3.340 -6.557 1.00 0.00 C ATOM 858 O HIS A 55 -8.001 -2.831 -5.441 1.00 0.00 O ATOM 859 CB HIS A 55 -8.432 -5.679 -7.275 1.00 0.00 C ATOM 860 CG HIS A 55 -9.460 -6.116 -6.272 1.00 0.00 C ATOM 861 ND1 HIS A 55 -10.774 -5.696 -6.295 1.00 0.00 N ATOM 862 CD2 HIS A 55 -9.371 -6.999 -5.255 1.00 0.00 C ATOM 863 CE1 HIS A 55 -11.442 -6.306 -5.335 1.00 0.00 C ATOM 864 NE2 HIS A 55 -10.616 -7.108 -4.687 1.00 0.00 N ATOM 0 H HIS A 55 -6.783 -4.545 -4.741 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.562 -4.676 -7.511 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.947 -5.198 -8.107 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.942 -6.567 -7.674 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.481 -7.525 -4.944 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -12.491 -6.172 -5.115 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.862 -7.707 -3.898 1.00 0.00 H new ATOM 873 N SER A 56 -8.362 -2.745 -7.654 1.00 0.00 N ATOM 874 CA SER A 56 -8.948 -1.420 -7.630 1.00 0.00 C ATOM 875 C SER A 56 -10.445 -1.482 -7.344 1.00 0.00 C ATOM 876 O SER A 56 -11.204 -2.121 -8.075 1.00 0.00 O ATOM 877 CB SER A 56 -8.697 -0.725 -8.957 1.00 0.00 C ATOM 878 OG SER A 56 -7.311 -0.654 -9.242 1.00 0.00 O ATOM 0 H SER A 56 -8.308 -3.163 -8.583 1.00 0.00 H new ATOM 0 HA SER A 56 -8.478 -0.852 -6.827 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.208 -1.263 -9.755 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.118 0.280 -8.930 1.00 0.00 H new ATOM 0 HG SER A 56 -6.800 -0.926 -8.451 1.00 0.00 H new ATOM 884 N CYS A 57 -10.852 -0.835 -6.266 1.00 0.00 N ATOM 885 CA CYS A 57 -12.258 -0.719 -5.909 1.00 0.00 C ATOM 886 C CYS A 57 -12.649 0.758 -5.884 1.00 0.00 C ATOM 887 O CYS A 57 -11.798 1.627 -6.112 1.00 0.00 O ATOM 888 CB CYS A 57 -12.509 -1.360 -4.547 1.00 0.00 C ATOM 889 SG CYS A 57 -11.617 -0.560 -3.177 1.00 0.00 S ATOM 0 H CYS A 57 -10.218 -0.375 -5.612 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.866 -1.239 -6.649 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -13.578 -1.333 -4.336 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -12.219 -2.410 -4.592 1.00 0.00 H new ATOM 894 N ALA A 58 -13.926 1.037 -5.623 1.00 0.00 N ATOM 895 CA ALA A 58 -14.432 2.409 -5.544 1.00 0.00 C ATOM 896 C ALA A 58 -14.196 3.162 -6.850 1.00 0.00 C ATOM 897 O ALA A 58 -13.958 4.372 -6.846 1.00 0.00 O ATOM 898 CB ALA A 58 -13.791 3.153 -4.373 1.00 0.00 C ATOM 0 H ALA A 58 -14.636 0.323 -5.461 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.508 2.358 -5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.180 4.170 -4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.025 2.637 -3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.710 3.183 -4.509 1.00 0.00 H new ATOM 904 N ASN A 59 -14.264 2.427 -7.963 1.00 0.00 N ATOM 905 CA ASN A 59 -13.999 2.980 -9.291 1.00 0.00 C ATOM 906 C ASN A 59 -12.554 3.448 -9.379 1.00 0.00 C ATOM 907 O ASN A 59 -12.258 4.524 -9.903 1.00 0.00 O ATOM 908 CB ASN A 59 -14.961 4.124 -9.626 1.00 0.00 C ATOM 909 CG ASN A 59 -16.405 3.664 -9.715 1.00 0.00 C ATOM 910 OD1 ASN A 59 -17.142 3.698 -8.728 1.00 0.00 O ATOM 911 ND2 ASN A 59 -16.817 3.225 -10.893 1.00 0.00 N ATOM 0 H ASN A 59 -14.504 1.436 -7.968 1.00 0.00 H new ATOM 0 HA ASN A 59 -14.163 2.192 -10.026 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -14.877 4.900 -8.865 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.668 4.575 -10.574 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.776 2.898 -11.009 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -16.175 3.213 -11.686 1.00 0.00 H new ATOM 918 N ASN A 60 -11.667 2.608 -8.852 1.00 0.00 N ATOM 919 CA ASN A 60 -10.238 2.900 -8.769 1.00 0.00 C ATOM 920 C ASN A 60 -9.998 4.170 -7.962 1.00 0.00 C ATOM 921 O ASN A 60 -9.254 5.063 -8.363 1.00 0.00 O ATOM 922 CB ASN A 60 -9.603 2.998 -10.159 1.00 0.00 C ATOM 923 CG ASN A 60 -8.083 3.107 -10.117 1.00 0.00 C ATOM 924 OD1 ASN A 60 -7.474 3.718 -10.997 1.00 0.00 O ATOM 925 ND2 ASN A 60 -7.454 2.527 -9.100 1.00 0.00 N ATOM 0 H ASN A 60 -11.921 1.698 -8.467 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.755 2.071 -8.252 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.882 2.120 -10.742 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.009 3.867 -10.677 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.438 2.580 -9.032 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.988 2.029 -8.388 1.00 0.00 H new ATOM 932 N ARG A 61 -10.664 4.249 -6.827 1.00 0.00 N ATOM 933 CA ARG A 61 -10.414 5.306 -5.865 1.00 0.00 C ATOM 934 C ARG A 61 -10.067 4.675 -4.530 1.00 0.00 C ATOM 935 O ARG A 61 -10.089 5.321 -3.487 1.00 0.00 O ATOM 936 CB ARG A 61 -11.623 6.231 -5.730 1.00 0.00 C ATOM 937 CG ARG A 61 -11.986 6.945 -7.022 1.00 0.00 C ATOM 938 CD ARG A 61 -13.144 7.904 -6.821 1.00 0.00 C ATOM 939 NE ARG A 61 -14.335 7.229 -6.310 1.00 0.00 N ATOM 940 CZ ARG A 61 -15.328 7.859 -5.684 1.00 0.00 C ATOM 941 NH1 ARG A 61 -15.276 9.174 -5.509 1.00 0.00 N ATOM 942 NH2 ARG A 61 -16.374 7.178 -5.240 1.00 0.00 N ATOM 0 H ARG A 61 -11.388 3.588 -6.546 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.581 5.918 -6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.480 5.649 -5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.418 6.974 -4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.119 7.492 -7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.248 6.211 -7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.847 8.690 -6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.381 8.389 -7.768 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.410 6.220 -6.440 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.475 9.703 -5.854 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.037 9.655 -5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.421 6.168 -5.377 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.133 7.663 -4.761 1.00 0.00 H new ATOM 956 N GLY A 62 -9.756 3.390 -4.593 1.00 0.00 N ATOM 957 CA GLY A 62 -9.349 2.648 -3.426 1.00 0.00 C ATOM 958 C GLY A 62 -8.654 1.359 -3.812 1.00 0.00 C ATOM 959 O GLY A 62 -9.223 0.539 -4.529 1.00 0.00 O ATOM 0 H GLY A 62 -9.780 2.841 -5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.680 3.258 -2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.221 2.424 -2.812 1.00 0.00 H new ATOM 963 N TRP A 63 -7.404 1.199 -3.408 1.00 0.00 N ATOM 964 CA TRP A 63 -6.712 -0.062 -3.629 1.00 0.00 C ATOM 965 C TRP A 63 -7.016 -1.040 -2.496 1.00 0.00 C ATOM 966 O TRP A 63 -6.835 -0.721 -1.323 1.00 0.00 O ATOM 967 CB TRP A 63 -5.195 0.136 -3.759 1.00 0.00 C ATOM 968 CG TRP A 63 -4.497 -1.112 -4.181 1.00 0.00 C ATOM 969 CD1 TRP A 63 -3.796 -1.961 -3.385 1.00 0.00 C ATOM 970 CD2 TRP A 63 -4.452 -1.660 -5.500 1.00 0.00 C ATOM 971 NE1 TRP A 63 -3.323 -3.012 -4.119 1.00 0.00 N ATOM 972 CE2 TRP A 63 -3.708 -2.849 -5.429 1.00 0.00 C ATOM 973 CE3 TRP A 63 -4.972 -1.259 -6.732 1.00 0.00 C ATOM 974 CZ2 TRP A 63 -3.472 -3.644 -6.548 1.00 0.00 C ATOM 975 CZ3 TRP A 63 -4.739 -2.044 -7.838 1.00 0.00 C ATOM 976 CH2 TRP A 63 -3.996 -3.225 -7.744 1.00 0.00 C ATOM 0 H TRP A 63 -6.854 1.914 -2.932 1.00 0.00 H new ATOM 0 HA TRP A 63 -7.076 -0.475 -4.570 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -4.994 0.925 -4.484 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.791 0.471 -2.804 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -3.636 -1.825 -2.326 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -2.774 -3.791 -3.755 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -5.547 -0.349 -6.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -2.898 -4.556 -6.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -5.137 -1.743 -8.796 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.832 -3.819 -8.631 1.00 0.00 H new ATOM 987 N CYS A 64 -7.498 -2.219 -2.858 1.00 0.00 N ATOM 988 CA CYS A 64 -7.765 -3.276 -1.890 1.00 0.00 C ATOM 989 C CYS A 64 -6.483 -3.781 -1.267 1.00 0.00 C ATOM 990 O CYS A 64 -5.607 -4.279 -1.976 1.00 0.00 O ATOM 991 CB CYS A 64 -8.484 -4.440 -2.557 1.00 0.00 C ATOM 992 SG CYS A 64 -10.166 -4.045 -3.128 1.00 0.00 S ATOM 0 H CYS A 64 -7.714 -2.471 -3.823 1.00 0.00 H new ATOM 0 HA CYS A 64 -8.397 -2.853 -1.109 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.893 -4.779 -3.408 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.536 -5.272 -1.854 1.00 0.00 H new ATOM 997 N ARG A 65 -6.395 -3.663 0.052 1.00 0.00 N ATOM 998 CA ARG A 65 -5.240 -4.123 0.808 1.00 0.00 C ATOM 999 C ARG A 65 -5.693 -4.918 2.034 1.00 0.00 C ATOM 1000 O ARG A 65 -6.867 -4.873 2.404 1.00 0.00 O ATOM 1001 CB ARG A 65 -4.390 -2.936 1.262 1.00 0.00 C ATOM 1002 CG ARG A 65 -3.638 -2.234 0.149 1.00 0.00 C ATOM 1003 CD ARG A 65 -2.669 -1.202 0.713 1.00 0.00 C ATOM 1004 NE ARG A 65 -2.128 -1.609 2.012 1.00 0.00 N ATOM 1005 CZ ARG A 65 -1.128 -2.475 2.188 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -0.566 -3.083 1.153 1.00 0.00 N ATOM 1007 NH2 ARG A 65 -0.703 -2.747 3.417 1.00 0.00 N ATOM 0 H ARG A 65 -7.125 -3.244 0.628 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.642 -4.764 0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.036 -2.212 1.758 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.672 -3.284 2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.090 -2.967 -0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.345 -1.746 -0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.850 -1.052 0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.179 -0.244 0.817 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.548 -1.199 2.846 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.897 -2.891 0.207 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.198 -3.743 1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.141 -2.295 4.220 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.061 -3.408 3.558 1.00 0.00 H new ATOM 1021 N PRO A 66 -4.775 -5.664 2.684 1.00 0.00 N ATOM 1022 CA PRO A 66 -5.086 -6.399 3.910 1.00 0.00 C ATOM 1023 C PRO A 66 -5.147 -5.466 5.115 1.00 0.00 C ATOM 1024 O PRO A 66 -5.773 -5.771 6.128 1.00 0.00 O ATOM 1025 CB PRO A 66 -3.924 -7.388 4.073 1.00 0.00 C ATOM 1026 CG PRO A 66 -3.026 -7.189 2.894 1.00 0.00 C ATOM 1027 CD PRO A 66 -3.379 -5.865 2.278 1.00 0.00 C ATOM 0 HA PRO A 66 -6.057 -6.890 3.849 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.387 -7.205 5.004 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.291 -8.414 4.112 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.980 -7.203 3.202 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.156 -7.995 2.172 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.735 -5.066 2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.275 -5.886 1.193 1.00 0.00 H new ATOM 1035 N THR A 67 -4.459 -4.337 5.002 1.00 0.00 N ATOM 1036 CA THR A 67 -4.460 -3.309 6.030 1.00 0.00 C ATOM 1037 C THR A 67 -4.102 -1.971 5.391 1.00 0.00 C ATOM 1038 O THR A 67 -3.310 -1.925 4.453 1.00 0.00 O ATOM 1039 CB THR A 67 -3.453 -3.623 7.157 1.00 0.00 C ATOM 1040 OG1 THR A 67 -3.524 -5.010 7.519 1.00 0.00 O ATOM 1041 CG2 THR A 67 -3.745 -2.770 8.381 1.00 0.00 C ATOM 0 H THR A 67 -3.883 -4.110 4.191 1.00 0.00 H new ATOM 0 HA THR A 67 -5.455 -3.272 6.474 1.00 0.00 H new ATOM 0 HB THR A 67 -2.452 -3.397 6.790 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.879 -5.195 8.233 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.026 -3.003 9.167 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.665 -1.715 8.117 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.753 -2.979 8.738 1.00 0.00 H new ATOM 1049 N CYS A 68 -4.671 -0.893 5.900 1.00 0.00 N ATOM 1050 CA CYS A 68 -4.542 0.412 5.260 1.00 0.00 C ATOM 1051 C CYS A 68 -3.461 1.267 5.917 1.00 0.00 C ATOM 1052 O CYS A 68 -3.114 1.063 7.081 1.00 0.00 O ATOM 1053 CB CYS A 68 -5.890 1.123 5.312 1.00 0.00 C ATOM 1054 SG CYS A 68 -7.202 0.258 4.384 1.00 0.00 S ATOM 0 H CYS A 68 -5.228 -0.891 6.755 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.239 0.261 4.224 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.198 1.226 6.352 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.777 2.131 4.912 1.00 0.00 H new ATOM 1059 N PHE A 69 -2.914 2.207 5.148 1.00 0.00 N ATOM 1060 CA PHE A 69 -1.911 3.141 5.654 1.00 0.00 C ATOM 1061 C PHE A 69 -2.557 4.450 6.072 1.00 0.00 C ATOM 1062 O PHE A 69 -3.709 4.722 5.745 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.858 3.446 4.589 1.00 0.00 C ATOM 1064 CG PHE A 69 -0.072 2.255 4.149 1.00 0.00 C ATOM 1065 CD1 PHE A 69 1.003 1.805 4.891 1.00 0.00 C ATOM 1066 CD2 PHE A 69 -0.405 1.591 2.987 1.00 0.00 C ATOM 1067 CE1 PHE A 69 1.731 0.709 4.482 1.00 0.00 C ATOM 1068 CE2 PHE A 69 0.314 0.496 2.572 1.00 0.00 C ATOM 1069 CZ PHE A 69 1.384 0.051 3.318 1.00 0.00 C ATOM 0 H PHE A 69 -3.151 2.342 4.165 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.437 2.668 6.514 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -1.351 3.883 3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.171 4.198 4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.276 2.318 5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.241 1.936 2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.570 0.366 5.069 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.041 -0.016 1.661 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.950 -0.810 2.993 1.00 0.00 H new ATOM 1079 N SER A 70 -1.792 5.268 6.771 1.00 0.00 N ATOM 1080 CA SER A 70 -2.257 6.577 7.192 1.00 0.00 C ATOM 1081 C SER A 70 -2.142 7.571 6.036 1.00 0.00 C ATOM 1082 O SER A 70 -1.114 8.229 5.870 1.00 0.00 O ATOM 1083 CB SER A 70 -1.452 7.037 8.408 1.00 0.00 C ATOM 1084 OG SER A 70 -0.063 6.819 8.211 1.00 0.00 O ATOM 0 H SER A 70 -0.839 5.047 7.061 1.00 0.00 H new ATOM 0 HA SER A 70 -3.307 6.521 7.478 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.635 8.096 8.590 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.786 6.498 9.295 1.00 0.00 H new ATOM 0 HG SER A 70 0.207 7.189 7.344 1.00 0.00 H new ATOM 1090 N HIS A 71 -3.223 7.660 5.256 1.00 0.00 N ATOM 1091 CA HIS A 71 -3.289 8.424 4.008 1.00 0.00 C ATOM 1092 C HIS A 71 -4.464 7.865 3.228 1.00 0.00 C ATOM 1093 O HIS A 71 -4.934 8.445 2.254 1.00 0.00 O ATOM 1094 CB HIS A 71 -1.981 8.364 3.167 1.00 0.00 C ATOM 1095 CG HIS A 71 -1.810 7.152 2.287 1.00 0.00 C ATOM 1096 ND1 HIS A 71 -1.080 7.168 1.120 1.00 0.00 N ATOM 1097 CD2 HIS A 71 -2.276 5.896 2.407 1.00 0.00 C ATOM 1098 CE1 HIS A 71 -1.111 5.971 0.567 1.00 0.00 C ATOM 1099 NE2 HIS A 71 -1.834 5.176 1.328 1.00 0.00 N ATOM 0 H HIS A 71 -4.100 7.190 5.482 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.415 9.482 4.239 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.937 9.253 2.538 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.132 8.414 3.849 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.890 5.521 3.212 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.625 5.690 -0.356 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.031 4.192 1.146 1.00 0.00 H new ATOM 1108 N GLU A 72 -4.896 6.692 3.682 1.00 0.00 N ATOM 1109 CA GLU A 72 -6.092 6.036 3.199 1.00 0.00 C ATOM 1110 C GLU A 72 -6.864 5.497 4.401 1.00 0.00 C ATOM 1111 O GLU A 72 -6.392 5.589 5.537 1.00 0.00 O ATOM 1112 CB GLU A 72 -5.712 4.901 2.243 1.00 0.00 C ATOM 1113 CG GLU A 72 -4.956 3.777 2.927 1.00 0.00 C ATOM 1114 CD GLU A 72 -4.003 3.035 2.011 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -3.422 2.029 2.461 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -3.805 3.475 0.857 1.00 0.00 O ATOM 0 H GLU A 72 -4.411 6.167 4.409 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.718 6.741 2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.617 4.498 1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.101 5.303 1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.394 4.188 3.766 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.673 3.068 3.341 1.00 0.00 H new ATOM 1123 N TYR A 73 -8.041 4.952 4.163 1.00 0.00 N ATOM 1124 CA TYR A 73 -8.855 4.405 5.235 1.00 0.00 C ATOM 1125 C TYR A 73 -9.599 3.174 4.756 1.00 0.00 C ATOM 1126 O TYR A 73 -9.592 2.860 3.567 1.00 0.00 O ATOM 1127 CB TYR A 73 -9.855 5.449 5.740 1.00 0.00 C ATOM 1128 CG TYR A 73 -10.738 6.034 4.662 1.00 0.00 C ATOM 1129 CD1 TYR A 73 -11.803 5.311 4.132 1.00 0.00 C ATOM 1130 CD2 TYR A 73 -10.507 7.310 4.179 1.00 0.00 C ATOM 1131 CE1 TYR A 73 -12.609 5.843 3.148 1.00 0.00 C ATOM 1132 CE2 TYR A 73 -11.307 7.855 3.195 1.00 0.00 C ATOM 1133 CZ TYR A 73 -12.357 7.119 2.681 1.00 0.00 C ATOM 1134 OH TYR A 73 -13.156 7.659 1.701 1.00 0.00 O ATOM 0 H TYR A 73 -8.457 4.875 3.235 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.194 4.126 6.055 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -10.486 4.992 6.502 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -9.306 6.258 6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.002 4.315 4.498 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.687 7.889 4.578 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -13.430 5.268 2.746 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.113 8.852 2.829 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.845 8.563 1.486 1.00 0.00 H new ATOM 1144 N THR A 74 -10.261 2.506 5.685 1.00 0.00 N ATOM 1145 CA THR A 74 -11.010 1.306 5.380 1.00 0.00 C ATOM 1146 C THR A 74 -12.414 1.654 4.908 1.00 0.00 C ATOM 1147 O THR A 74 -13.301 1.937 5.715 1.00 0.00 O ATOM 1148 CB THR A 74 -11.112 0.380 6.609 1.00 0.00 C ATOM 1149 OG1 THR A 74 -9.798 0.034 7.070 1.00 0.00 O ATOM 1150 CG2 THR A 74 -11.887 -0.884 6.269 1.00 0.00 C ATOM 0 H THR A 74 -10.293 2.781 6.667 1.00 0.00 H new ATOM 0 HA THR A 74 -10.474 0.785 4.586 1.00 0.00 H new ATOM 0 HB THR A 74 -11.645 0.912 7.397 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.159 0.124 6.333 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.947 -1.522 7.150 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.893 -0.618 5.945 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.377 -1.419 5.467 1.00 0.00 H new ATOM 1158 N ASP A 75 -12.606 1.662 3.603 1.00 0.00 N ATOM 1159 CA ASP A 75 -13.934 1.812 3.048 1.00 0.00 C ATOM 1160 C ASP A 75 -14.639 0.468 3.133 1.00 0.00 C ATOM 1161 O ASP A 75 -14.206 -0.511 2.516 1.00 0.00 O ATOM 1162 CB ASP A 75 -13.880 2.305 1.601 1.00 0.00 C ATOM 1163 CG ASP A 75 -15.258 2.560 1.023 1.00 0.00 C ATOM 1164 OD1 ASP A 75 -15.924 1.590 0.617 1.00 0.00 O ATOM 1165 OD2 ASP A 75 -15.673 3.736 0.958 1.00 0.00 O ATOM 0 H ASP A 75 -11.862 1.567 2.912 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.484 2.561 3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -13.295 3.223 1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.363 1.567 0.988 1.00 0.00 H new ATOM 1170 N TRP A 76 -15.687 0.422 3.939 1.00 0.00 N ATOM 1171 CA TRP A 76 -16.393 -0.818 4.227 1.00 0.00 C ATOM 1172 C TRP A 76 -17.350 -1.206 3.106 1.00 0.00 C ATOM 1173 O TRP A 76 -17.674 -2.384 2.939 1.00 0.00 O ATOM 1174 CB TRP A 76 -17.132 -0.700 5.558 1.00 0.00 C ATOM 1175 CG TRP A 76 -16.200 -0.729 6.730 1.00 0.00 C ATOM 1176 CD1 TRP A 76 -15.691 0.341 7.408 1.00 0.00 C ATOM 1177 CD2 TRP A 76 -15.643 -1.895 7.342 1.00 0.00 C ATOM 1178 NE1 TRP A 76 -14.861 -0.092 8.415 1.00 0.00 N ATOM 1179 CE2 TRP A 76 -14.814 -1.461 8.393 1.00 0.00 C ATOM 1180 CE3 TRP A 76 -15.770 -3.265 7.106 1.00 0.00 C ATOM 1181 CZ2 TRP A 76 -14.114 -2.350 9.204 1.00 0.00 C ATOM 1182 CZ3 TRP A 76 -15.075 -4.145 7.909 1.00 0.00 C ATOM 1183 CH2 TRP A 76 -14.256 -3.686 8.947 1.00 0.00 C ATOM 0 H TRP A 76 -16.072 1.240 4.411 1.00 0.00 H new ATOM 0 HA TRP A 76 -15.653 -1.615 4.300 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -17.703 0.229 5.573 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -17.849 -1.516 5.647 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -15.908 1.375 7.186 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -14.362 0.508 9.071 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -16.401 -3.629 6.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -13.482 -1.998 10.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -15.164 -5.207 7.734 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -13.725 -4.401 9.558 1.00 0.00 H new ATOM 1194 N PHE A 77 -17.779 -0.233 2.317 1.00 0.00 N ATOM 1195 CA PHE A 77 -18.666 -0.522 1.197 1.00 0.00 C ATOM 1196 C PHE A 77 -17.914 -1.327 0.145 1.00 0.00 C ATOM 1197 O PHE A 77 -18.348 -2.405 -0.283 1.00 0.00 O ATOM 1198 CB PHE A 77 -19.214 0.771 0.585 1.00 0.00 C ATOM 1199 CG PHE A 77 -20.009 0.543 -0.670 1.00 0.00 C ATOM 1200 CD1 PHE A 77 -21.247 -0.074 -0.616 1.00 0.00 C ATOM 1201 CD2 PHE A 77 -19.514 0.938 -1.902 1.00 0.00 C ATOM 1202 CE1 PHE A 77 -21.977 -0.294 -1.767 1.00 0.00 C ATOM 1203 CE2 PHE A 77 -20.240 0.721 -3.057 1.00 0.00 C ATOM 1204 CZ PHE A 77 -21.473 0.104 -2.990 1.00 0.00 C ATOM 0 H PHE A 77 -17.533 0.751 2.427 1.00 0.00 H new ATOM 0 HA PHE A 77 -19.511 -1.105 1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -19.843 1.274 1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -18.383 1.441 0.364 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -21.646 -0.387 0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -18.550 1.421 -1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -22.941 -0.777 -1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -19.843 1.034 -4.012 1.00 0.00 H new ATOM 0 HZ PHE A 77 -22.042 -0.067 -3.892 1.00 0.00 H new ATOM 1214 N ASN A 78 -16.766 -0.811 -0.246 1.00 0.00 N ATOM 1215 CA ASN A 78 -15.931 -1.472 -1.228 1.00 0.00 C ATOM 1216 C ASN A 78 -15.131 -2.589 -0.575 1.00 0.00 C ATOM 1217 O ASN A 78 -14.521 -3.410 -1.248 1.00 0.00 O ATOM 1218 CB ASN A 78 -15.011 -0.466 -1.907 1.00 0.00 C ATOM 1219 CG ASN A 78 -15.776 0.557 -2.716 1.00 0.00 C ATOM 1220 OD1 ASN A 78 -16.047 0.352 -3.898 1.00 0.00 O ATOM 1221 ND2 ASN A 78 -16.143 1.661 -2.084 1.00 0.00 N ATOM 0 H ASN A 78 -16.389 0.070 0.104 1.00 0.00 H new ATOM 0 HA ASN A 78 -16.571 -1.914 -1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.414 0.044 -1.151 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.316 -0.995 -2.559 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -16.671 2.380 -2.578 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.898 1.792 -1.103 1.00 0.00 H new ATOM 1228 N ASN A 79 -15.148 -2.620 0.745 1.00 0.00 N ATOM 1229 CA ASN A 79 -14.578 -3.734 1.495 1.00 0.00 C ATOM 1230 C ASN A 79 -15.348 -5.003 1.151 1.00 0.00 C ATOM 1231 O ASN A 79 -14.796 -6.102 1.116 1.00 0.00 O ATOM 1232 CB ASN A 79 -14.680 -3.442 2.995 1.00 0.00 C ATOM 1233 CG ASN A 79 -13.851 -4.359 3.871 1.00 0.00 C ATOM 1234 OD1 ASN A 79 -13.584 -5.507 3.534 1.00 0.00 O ATOM 1235 ND2 ASN A 79 -13.447 -3.842 5.019 1.00 0.00 N ATOM 0 H ASN A 79 -15.551 -1.885 1.326 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.528 -3.866 1.234 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -14.371 -2.412 3.174 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.725 -3.518 3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.890 -4.404 5.663 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -13.692 -2.882 5.260 1.00 0.00 H new ATOM 1242 N ASP A 80 -16.623 -4.824 0.828 1.00 0.00 N ATOM 1243 CA ASP A 80 -17.509 -5.937 0.548 1.00 0.00 C ATOM 1244 C ASP A 80 -17.339 -6.377 -0.893 1.00 0.00 C ATOM 1245 O ASP A 80 -17.523 -7.547 -1.229 1.00 0.00 O ATOM 1246 CB ASP A 80 -18.961 -5.538 0.824 1.00 0.00 C ATOM 1247 CG ASP A 80 -19.955 -6.590 0.377 1.00 0.00 C ATOM 1248 OD1 ASP A 80 -20.669 -6.345 -0.617 1.00 0.00 O ATOM 1249 OD2 ASP A 80 -20.020 -7.665 1.010 1.00 0.00 O ATOM 0 H ASP A 80 -17.066 -3.908 0.754 1.00 0.00 H new ATOM 0 HA ASP A 80 -17.254 -6.772 1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -19.086 -5.357 1.892 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -19.178 -4.600 0.314 1.00 0.00 H new ATOM 1254 N VAL A 81 -16.965 -5.432 -1.748 1.00 0.00 N ATOM 1255 CA VAL A 81 -16.702 -5.747 -3.144 1.00 0.00 C ATOM 1256 C VAL A 81 -15.359 -6.462 -3.284 1.00 0.00 C ATOM 1257 O VAL A 81 -15.064 -7.075 -4.311 1.00 0.00 O ATOM 1258 CB VAL A 81 -16.731 -4.489 -4.046 1.00 0.00 C ATOM 1259 CG1 VAL A 81 -17.906 -3.592 -3.691 1.00 0.00 C ATOM 1260 CG2 VAL A 81 -15.416 -3.716 -4.018 1.00 0.00 C ATOM 0 H VAL A 81 -16.838 -4.451 -1.501 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.502 -6.407 -3.480 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.863 -4.838 -5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.903 -2.716 -4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.837 -4.141 -3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.821 -3.275 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.493 -2.844 -4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -15.206 -3.392 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.608 -4.359 -4.367 1.00 0.00 H new ATOM 1270 N CYS A 82 -14.548 -6.368 -2.241 1.00 0.00 N ATOM 1271 CA CYS A 82 -13.262 -7.049 -2.203 1.00 0.00 C ATOM 1272 C CYS A 82 -13.383 -8.408 -1.522 1.00 0.00 C ATOM 1273 O CYS A 82 -12.735 -9.373 -1.924 1.00 0.00 O ATOM 1274 CB CYS A 82 -12.230 -6.190 -1.476 1.00 0.00 C ATOM 1275 SG CYS A 82 -11.925 -4.578 -2.265 1.00 0.00 S ATOM 0 H CYS A 82 -14.759 -5.823 -1.405 1.00 0.00 H new ATOM 0 HA CYS A 82 -12.933 -7.208 -3.230 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -12.566 -6.025 -0.452 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -11.290 -6.739 -1.419 1.00 0.00 H new ATOM 1280 N GLY A 83 -14.209 -8.479 -0.490 1.00 0.00 N ATOM 1281 CA GLY A 83 -14.403 -9.730 0.212 1.00 0.00 C ATOM 1282 C GLY A 83 -13.406 -9.922 1.337 1.00 0.00 C ATOM 1283 O GLY A 83 -13.696 -9.602 2.491 1.00 0.00 O ATOM 0 H GLY A 83 -14.748 -7.693 -0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.414 -9.763 0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.315 -10.557 -0.493 1.00 0.00 H new ATOM 1287 N SER A 84 -12.232 -10.444 1.007 1.00 0.00 N ATOM 1288 CA SER A 84 -11.199 -10.690 2.004 1.00 0.00 C ATOM 1289 C SER A 84 -10.454 -9.399 2.329 1.00 0.00 C ATOM 1290 O SER A 84 -10.305 -9.034 3.495 1.00 0.00 O ATOM 1291 CB SER A 84 -10.219 -11.758 1.510 1.00 0.00 C ATOM 1292 OG SER A 84 -9.286 -12.107 2.518 1.00 0.00 O ATOM 0 H SER A 84 -11.971 -10.705 0.056 1.00 0.00 H new ATOM 0 HA SER A 84 -11.679 -11.054 2.913 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.771 -12.645 1.200 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.688 -11.389 0.632 1.00 0.00 H new ATOM 0 HG SER A 84 -8.674 -12.791 2.175 1.00 0.00 H new ATOM 1298 N TYR A 85 -9.984 -8.713 1.296 1.00 0.00 N ATOM 1299 CA TYR A 85 -9.280 -7.450 1.476 1.00 0.00 C ATOM 1300 C TYR A 85 -10.239 -6.314 1.796 1.00 0.00 C ATOM 1301 O TYR A 85 -11.427 -6.375 1.480 1.00 0.00 O ATOM 1302 CB TYR A 85 -8.471 -7.111 0.224 1.00 0.00 C ATOM 1303 CG TYR A 85 -7.088 -7.716 0.213 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -6.136 -7.295 -0.704 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -6.721 -8.689 1.136 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -4.871 -7.823 -0.703 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -5.450 -9.225 1.137 1.00 0.00 C ATOM 1308 CZ TYR A 85 -4.526 -8.786 0.216 1.00 0.00 C ATOM 1309 OH TYR A 85 -3.251 -9.306 0.217 1.00 0.00 O ATOM 0 H TYR A 85 -10.077 -9.010 0.325 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.604 -7.568 2.323 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.016 -7.456 -0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.385 -6.028 0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.396 -6.539 -1.430 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -7.442 -9.030 1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -4.144 -7.482 -1.425 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -5.181 -9.985 1.856 1.00 0.00 H new ATOM 0 HH TYR A 85 -3.171 -9.974 0.929 1.00 0.00 H new ATOM 1319 N ARG A 86 -9.708 -5.285 2.434 1.00 0.00 N ATOM 1320 CA ARG A 86 -10.478 -4.103 2.763 1.00 0.00 C ATOM 1321 C ARG A 86 -10.116 -2.991 1.790 1.00 0.00 C ATOM 1322 O ARG A 86 -8.986 -2.940 1.293 1.00 0.00 O ATOM 1323 CB ARG A 86 -10.207 -3.677 4.212 1.00 0.00 C ATOM 1324 CG ARG A 86 -8.802 -3.141 4.456 1.00 0.00 C ATOM 1325 CD ARG A 86 -8.495 -3.037 5.943 1.00 0.00 C ATOM 1326 NE ARG A 86 -8.394 -4.356 6.565 1.00 0.00 N ATOM 1327 CZ ARG A 86 -8.192 -4.564 7.864 1.00 0.00 C ATOM 1328 NH1 ARG A 86 -8.090 -3.542 8.702 1.00 0.00 N ATOM 1329 NH2 ARG A 86 -8.092 -5.804 8.326 1.00 0.00 N ATOM 0 H ARG A 86 -8.735 -5.247 2.736 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.543 -4.320 2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.929 -2.911 4.494 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.376 -4.532 4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.074 -3.796 3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.700 -2.159 3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.560 -2.495 6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.277 -2.460 6.437 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.485 -5.174 5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.166 -2.587 8.353 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.935 -3.711 9.696 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.170 -6.594 7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.937 -5.967 9.321 1.00 0.00 H new ATOM 1343 N CYS A 87 -11.061 -2.110 1.501 1.00 0.00 N ATOM 1344 CA CYS A 87 -10.834 -1.077 0.509 1.00 0.00 C ATOM 1345 C CYS A 87 -10.110 0.104 1.127 1.00 0.00 C ATOM 1346 O CYS A 87 -10.623 0.746 2.041 1.00 0.00 O ATOM 1347 CB CYS A 87 -12.153 -0.617 -0.093 1.00 0.00 C ATOM 1348 SG CYS A 87 -11.967 0.639 -1.405 1.00 0.00 S ATOM 0 H CYS A 87 -11.983 -2.091 1.936 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.213 -1.496 -0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -12.676 -1.481 -0.502 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -12.781 -0.210 0.700 1.00 0.00 H new ATOM 1353 N CYS A 88 -8.919 0.383 0.632 1.00 0.00 N ATOM 1354 CA CYS A 88 -8.127 1.484 1.140 1.00 0.00 C ATOM 1355 C CYS A 88 -8.310 2.728 0.276 1.00 0.00 C ATOM 1356 O CYS A 88 -7.661 2.895 -0.760 1.00 0.00 O ATOM 1357 CB CYS A 88 -6.661 1.070 1.224 1.00 0.00 C ATOM 1358 SG CYS A 88 -6.366 -0.292 2.404 1.00 0.00 S ATOM 0 H CYS A 88 -8.478 -0.141 -0.124 1.00 0.00 H new ATOM 0 HA CYS A 88 -8.469 1.736 2.144 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -6.319 0.766 0.235 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -6.063 1.933 1.517 1.00 0.00 H new ATOM 1363 N ARG A 89 -9.222 3.586 0.709 1.00 0.00 N ATOM 1364 CA ARG A 89 -9.528 4.822 0.001 1.00 0.00 C ATOM 1365 C ARG A 89 -8.827 6.001 0.662 1.00 0.00 C ATOM 1366 O ARG A 89 -8.800 6.094 1.882 1.00 0.00 O ATOM 1367 CB ARG A 89 -11.037 5.051 -0.016 1.00 0.00 C ATOM 1368 CG ARG A 89 -11.763 4.210 -1.047 1.00 0.00 C ATOM 1369 CD ARG A 89 -13.237 4.556 -1.104 1.00 0.00 C ATOM 1370 NE ARG A 89 -13.463 5.959 -1.447 1.00 0.00 N ATOM 1371 CZ ARG A 89 -14.580 6.629 -1.160 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -15.553 6.050 -0.462 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -14.710 7.890 -1.555 1.00 0.00 N ATOM 0 H ARG A 89 -9.770 3.447 1.558 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.169 4.736 -1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -11.441 4.830 0.972 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -11.235 6.105 -0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -11.313 4.365 -2.028 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -11.645 3.154 -0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.729 3.920 -1.840 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.696 4.341 -0.139 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.720 6.457 -1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -15.448 5.087 -0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -16.404 6.569 -0.246 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.958 8.342 -2.075 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.562 8.407 -1.338 1.00 0.00 H new ATOM 1387 N PRO A 90 -8.264 6.921 -0.145 1.00 0.00 N ATOM 1388 CA PRO A 90 -7.456 8.052 0.347 1.00 0.00 C ATOM 1389 C PRO A 90 -8.168 8.900 1.391 1.00 0.00 C ATOM 1390 O PRO A 90 -9.281 9.385 1.173 1.00 0.00 O ATOM 1391 CB PRO A 90 -7.200 8.873 -0.916 1.00 0.00 C ATOM 1392 CG PRO A 90 -7.270 7.876 -2.007 1.00 0.00 C ATOM 1393 CD PRO A 90 -8.370 6.942 -1.611 1.00 0.00 C ATOM 0 HA PRO A 90 -6.554 7.704 0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.947 9.656 -1.042 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.227 9.363 -0.884 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.483 8.353 -2.964 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.324 7.346 -2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.345 7.301 -1.941 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.233 5.950 -2.041 1.00 0.00 H new ATOM 1401 N GLY A 91 -7.505 9.082 2.516 1.00 0.00 N ATOM 1402 CA GLY A 91 -8.066 9.841 3.600 1.00 0.00 C ATOM 1403 C GLY A 91 -7.722 9.239 4.943 1.00 0.00 C ATOM 1404 O GLY A 91 -6.618 8.696 5.134 1.00 0.00 O ATOM 0 H GLY A 91 -6.573 8.710 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.697 10.866 3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.149 9.887 3.489 1.00 0.00 H new ATOM 1408 N ARG A 92 -8.674 9.324 5.866 1.00 0.00 N ATOM 1409 CA ARG A 92 -8.494 8.813 7.211 1.00 0.00 C ATOM 1410 C ARG A 92 -9.772 9.031 8.020 1.00 0.00 C ATOM 1411 O ARG A 92 -9.730 9.409 9.191 1.00 0.00 O ATOM 1412 CB ARG A 92 -7.318 9.527 7.870 1.00 0.00 C ATOM 1413 CG ARG A 92 -6.756 8.818 9.085 1.00 0.00 C ATOM 1414 CD ARG A 92 -5.580 9.584 9.670 1.00 0.00 C ATOM 1415 NE ARG A 92 -5.956 10.943 10.066 1.00 0.00 N ATOM 1416 CZ ARG A 92 -5.216 12.030 9.829 1.00 0.00 C ATOM 1417 NH1 ARG A 92 -4.044 11.929 9.216 1.00 0.00 N ATOM 1418 NH2 ARG A 92 -5.648 13.221 10.215 1.00 0.00 N ATOM 0 H ARG A 92 -9.587 9.748 5.699 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.284 7.744 7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.523 9.646 7.134 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.634 10.528 8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.535 8.710 9.840 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.438 7.813 8.809 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.192 9.048 10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.775 9.629 8.936 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.842 11.068 10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.700 11.015 8.921 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.487 12.765 9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -6.545 13.308 10.693 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.084 14.051 10.034 1.00 0.00 H new