USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 438 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 29 ASN : amide:sc= 0.788 K(o=2.8,f=1.2) USER MOD Set 1.2: A 50 HIS : +bothHN:sc= 2.05 K(o=2.8,f=-10!) USER MOD Set 2.1: A 42 SER OG : rot -104:sc= 0.958 USER MOD Set 2.2: A 45 GLN : amide:sc= -0.281 K(o=0.68,f=-0.36) USER MOD Set 3.1: A 10 THR OG1 : rot -160:sc= -1.77! USER MOD Set 3.2: A 13 GLN :FLIP amide:sc=-0.00702 F(o=-2.8,f=-1.8) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.471 USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 0.961 (180deg=0.955) USER MOD Single : A 9 MET CE :methyl -165:sc= -0.0556 (180deg=-0.421) USER MOD Single : A 16 GLN : amide:sc= -0.0551 X(o=-0.055,f=-0.045) USER MOD Single : A 17 THR OG1 : rot 67:sc= 0.952 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.371 F(o=-1.1,f=-0.37) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -141:sc= -0.0726 (180deg=-1.03) USER MOD Single : A 39 GLN : amide:sc= -0.0857 X(o=-0.086,f=-0.035) USER MOD Single : A 40 ASN : amide:sc=-0.00159 X(o=-0.0016,f=0) USER MOD Single : A 48 ASN : amide:sc= 1.22 K(o=1.2,f=-0.046) USER MOD Single : A 53 ASN : amide:sc= 0.199 K(o=0.2,f=-0.88) USER MOD Single : A 62 ASN : amide:sc= 0.903 K(o=0.9,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 73 N PHE A 5 -6.416 6.415 -3.105 1.00 2.34 N ATOM 74 CA PHE A 5 -5.924 5.166 -2.509 1.00 63.50 C ATOM 75 C PHE A 5 -7.011 4.476 -1.669 1.00 24.22 C ATOM 76 O PHE A 5 -7.466 5.015 -0.655 1.00 12.10 O ATOM 77 CB PHE A 5 -4.686 5.442 -1.642 1.00 4.31 C ATOM 78 CG PHE A 5 -3.566 6.118 -2.398 1.00 50.43 C ATOM 79 CD1 PHE A 5 -2.750 5.390 -3.252 1.00 52.04 C ATOM 80 CD2 PHE A 5 -3.343 7.482 -2.268 1.00 22.51 C ATOM 81 CE1 PHE A 5 -1.733 6.008 -3.953 1.00 72.14 C ATOM 82 CE2 PHE A 5 -2.327 8.104 -2.969 1.00 73.31 C ATOM 83 CZ PHE A 5 -1.522 7.365 -3.813 1.00 43.32 C ATOM 0 HA PHE A 5 -5.651 4.495 -3.323 1.00 63.50 H new ATOM 0 HB2 PHE A 5 -4.975 6.068 -0.797 1.00 4.31 H new ATOM 0 HB3 PHE A 5 -4.321 4.501 -1.231 1.00 4.31 H new ATOM 0 HD1 PHE A 5 -2.912 4.329 -3.370 1.00 52.04 H new ATOM 0 HD2 PHE A 5 -3.971 8.065 -1.611 1.00 22.51 H new ATOM 0 HE1 PHE A 5 -1.102 5.429 -4.611 1.00 72.14 H new ATOM 0 HE2 PHE A 5 -2.163 9.166 -2.857 1.00 73.31 H new ATOM 0 HZ PHE A 5 -0.728 7.848 -4.363 1.00 43.32 H new ATOM 93 N THR A 6 -7.421 3.286 -2.104 1.00 10.30 N ATOM 94 CA THR A 6 -8.431 2.486 -1.389 1.00 5.21 C ATOM 95 C THR A 6 -7.890 1.103 -1.009 1.00 41.13 C ATOM 96 O THR A 6 -6.848 0.676 -1.499 1.00 31.22 O ATOM 97 CB THR A 6 -9.723 2.301 -2.231 1.00 62.25 C ATOM 98 OG1 THR A 6 -10.606 1.367 -1.586 1.00 21.12 O ATOM 99 CG2 THR A 6 -9.401 1.807 -3.638 1.00 60.31 C ATOM 0 H THR A 6 -7.070 2.846 -2.955 1.00 10.30 H new ATOM 0 HA THR A 6 -8.671 3.042 -0.483 1.00 5.21 H new ATOM 0 HB THR A 6 -10.211 3.273 -2.309 1.00 62.25 H new ATOM 0 HG1 THR A 6 -11.418 1.259 -2.124 1.00 21.12 H new ATOM 0 HG21 THR A 6 -10.326 1.687 -4.202 1.00 60.31 H new ATOM 0 HG22 THR A 6 -8.761 2.532 -4.140 1.00 60.31 H new ATOM 0 HG23 THR A 6 -8.886 0.848 -3.578 1.00 60.31 H new ATOM 107 N LYS A 7 -8.611 0.400 -0.142 1.00 32.31 N ATOM 108 CA LYS A 7 -8.194 -0.936 0.307 1.00 43.15 C ATOM 109 C LYS A 7 -8.312 -1.974 -0.820 1.00 3.33 C ATOM 110 O LYS A 7 -7.618 -2.995 -0.817 1.00 20.31 O ATOM 111 CB LYS A 7 -9.046 -1.390 1.502 1.00 1.53 C ATOM 112 CG LYS A 7 -10.541 -1.484 1.195 1.00 11.31 C ATOM 113 CD LYS A 7 -11.303 -2.248 2.276 1.00 64.33 C ATOM 114 CE LYS A 7 -11.198 -1.579 3.642 1.00 34.04 C ATOM 115 NZ LYS A 7 -11.900 -2.363 4.694 1.00 24.54 N ATOM 0 H LYS A 7 -9.486 0.727 0.267 1.00 32.31 H new ATOM 0 HA LYS A 7 -7.148 -0.865 0.605 1.00 43.15 H new ATOM 0 HB2 LYS A 7 -8.692 -2.364 1.839 1.00 1.53 H new ATOM 0 HB3 LYS A 7 -8.897 -0.694 2.327 1.00 1.53 H new ATOM 0 HG2 LYS A 7 -10.955 -0.480 1.101 1.00 11.31 H new ATOM 0 HG3 LYS A 7 -10.683 -1.978 0.234 1.00 11.31 H new ATOM 0 HD2 LYS A 7 -12.352 -2.325 1.992 1.00 64.33 H new ATOM 0 HD3 LYS A 7 -10.915 -3.264 2.341 1.00 64.33 H new ATOM 0 HE2 LYS A 7 -10.148 -1.466 3.912 1.00 34.04 H new ATOM 0 HE3 LYS A 7 -11.624 -0.577 3.590 1.00 34.04 H new ATOM 0 HZ1 LYS A 7 -11.851 -1.852 5.599 1.00 24.54 H new ATOM 0 HZ2 LYS A 7 -12.896 -2.493 4.424 1.00 24.54 H new ATOM 0 HZ3 LYS A 7 -11.445 -3.293 4.796 1.00 24.54 H new ATOM 129 N ASP A 8 -9.197 -1.697 -1.776 1.00 14.14 N ATOM 130 CA ASP A 8 -9.530 -2.650 -2.840 1.00 63.41 C ATOM 131 C ASP A 8 -8.477 -2.662 -3.967 1.00 52.11 C ATOM 132 O ASP A 8 -8.235 -3.698 -4.592 1.00 14.33 O ATOM 133 CB ASP A 8 -10.911 -2.297 -3.403 1.00 1.12 C ATOM 134 CG ASP A 8 -11.509 -3.412 -4.237 1.00 22.34 C ATOM 135 OD1 ASP A 8 -12.205 -4.277 -3.664 1.00 74.22 O ATOM 136 OD2 ASP A 8 -11.299 -3.425 -5.467 1.00 32.21 O ATOM 0 H ASP A 8 -9.702 -0.813 -1.838 1.00 14.14 H new ATOM 0 HA ASP A 8 -9.540 -3.652 -2.412 1.00 63.41 H new ATOM 0 HB2 ASP A 8 -11.585 -2.064 -2.579 1.00 1.12 H new ATOM 0 HB3 ASP A 8 -10.830 -1.397 -4.013 1.00 1.12 H new ATOM 141 N MET A 9 -7.852 -1.512 -4.222 1.00 52.22 N ATOM 142 CA MET A 9 -6.881 -1.384 -5.318 1.00 31.32 C ATOM 143 C MET A 9 -5.582 -2.157 -5.033 1.00 21.21 C ATOM 144 O MET A 9 -5.253 -2.448 -3.881 1.00 42.45 O ATOM 145 CB MET A 9 -6.567 0.095 -5.578 1.00 4.04 C ATOM 146 CG MET A 9 -5.865 0.789 -4.416 1.00 71.31 C ATOM 147 SD MET A 9 -5.691 2.567 -4.663 1.00 32.41 S ATOM 148 CE MET A 9 -4.668 2.608 -6.134 1.00 11.22 C ATOM 0 H MET A 9 -7.998 -0.655 -3.688 1.00 52.22 H new ATOM 0 HA MET A 9 -7.335 -1.821 -6.207 1.00 31.32 H new ATOM 0 HB2 MET A 9 -5.941 0.173 -6.467 1.00 4.04 H new ATOM 0 HB3 MET A 9 -7.496 0.621 -5.795 1.00 4.04 H new ATOM 0 HG2 MET A 9 -6.425 0.608 -3.499 1.00 71.31 H new ATOM 0 HG3 MET A 9 -4.878 0.348 -4.279 1.00 71.31 H new ATOM 0 HE1 MET A 9 -4.254 3.608 -6.262 1.00 11.22 H new ATOM 0 HE2 MET A 9 -3.855 1.889 -6.032 1.00 11.22 H new ATOM 0 HE3 MET A 9 -5.272 2.352 -7.004 1.00 11.22 H new ATOM 158 N THR A 10 -4.841 -2.471 -6.093 1.00 30.13 N ATOM 159 CA THR A 10 -3.610 -3.267 -5.976 1.00 12.40 C ATOM 160 C THR A 10 -2.394 -2.402 -5.615 1.00 53.53 C ATOM 161 O THR A 10 -2.378 -1.192 -5.870 1.00 71.31 O ATOM 162 CB THR A 10 -3.299 -4.020 -7.293 1.00 45.03 C ATOM 163 OG1 THR A 10 -2.842 -3.103 -8.298 1.00 51.43 O ATOM 164 CG2 THR A 10 -4.535 -4.755 -7.806 1.00 72.33 C ATOM 0 H THR A 10 -5.068 -2.188 -7.047 1.00 30.13 H new ATOM 0 HA THR A 10 -3.790 -3.982 -5.173 1.00 12.40 H new ATOM 0 HB THR A 10 -2.516 -4.749 -7.083 1.00 45.03 H new ATOM 0 HG1 THR A 10 -2.951 -3.508 -9.184 1.00 51.43 H new ATOM 0 HG21 THR A 10 -4.290 -5.276 -8.732 1.00 72.33 H new ATOM 0 HG22 THR A 10 -4.865 -5.477 -7.059 1.00 72.33 H new ATOM 0 HG23 THR A 10 -5.333 -4.037 -7.994 1.00 72.33 H new ATOM 172 N PHE A 11 -1.371 -3.031 -5.024 1.00 13.20 N ATOM 173 CA PHE A 11 -0.122 -2.334 -4.682 1.00 23.11 C ATOM 174 C PHE A 11 0.498 -1.640 -5.905 1.00 70.40 C ATOM 175 O PHE A 11 0.942 -0.492 -5.820 1.00 63.14 O ATOM 176 CB PHE A 11 0.896 -3.312 -4.075 1.00 12.04 C ATOM 177 CG PHE A 11 0.557 -3.762 -2.671 1.00 3.10 C ATOM 178 CD1 PHE A 11 0.995 -3.033 -1.574 1.00 63.00 C ATOM 179 CD2 PHE A 11 -0.196 -4.907 -2.449 1.00 61.42 C ATOM 180 CE1 PHE A 11 0.689 -3.435 -0.289 1.00 2.45 C ATOM 181 CE2 PHE A 11 -0.504 -5.312 -1.164 1.00 50.22 C ATOM 182 CZ PHE A 11 -0.059 -4.574 -0.083 1.00 45.42 C ATOM 0 H PHE A 11 -1.382 -4.019 -4.772 1.00 13.20 H new ATOM 0 HA PHE A 11 -0.373 -1.569 -3.947 1.00 23.11 H new ATOM 0 HB2 PHE A 11 0.970 -4.189 -4.718 1.00 12.04 H new ATOM 0 HB3 PHE A 11 1.878 -2.839 -4.067 1.00 12.04 H new ATOM 0 HD1 PHE A 11 1.583 -2.140 -1.728 1.00 63.00 H new ATOM 0 HD2 PHE A 11 -0.545 -5.488 -3.290 1.00 61.42 H new ATOM 0 HE1 PHE A 11 1.036 -2.857 0.555 1.00 2.45 H new ATOM 0 HE2 PHE A 11 -1.092 -6.204 -1.005 1.00 50.22 H new ATOM 0 HZ PHE A 11 -0.297 -4.890 0.922 1.00 45.42 H new ATOM 192 N ALA A 12 0.516 -2.335 -7.043 1.00 21.00 N ATOM 193 CA ALA A 12 1.091 -1.790 -8.277 1.00 43.02 C ATOM 194 C ALA A 12 0.445 -0.448 -8.656 1.00 51.31 C ATOM 195 O ALA A 12 1.140 0.547 -8.877 1.00 70.02 O ATOM 196 CB ALA A 12 0.940 -2.795 -9.416 1.00 74.33 C ATOM 0 H ALA A 12 0.139 -3.278 -7.137 1.00 21.00 H new ATOM 0 HA ALA A 12 2.151 -1.608 -8.101 1.00 43.02 H new ATOM 0 HB1 ALA A 12 1.370 -2.380 -10.327 1.00 74.33 H new ATOM 0 HB2 ALA A 12 1.459 -3.718 -9.158 1.00 74.33 H new ATOM 0 HB3 ALA A 12 -0.117 -3.006 -9.577 1.00 74.33 H new ATOM 202 N GLN A 13 -0.888 -0.424 -8.697 1.00 53.30 N ATOM 203 CA GLN A 13 -1.636 0.795 -9.036 1.00 53.44 C ATOM 204 C GLN A 13 -1.263 1.958 -8.103 1.00 10.01 C ATOM 205 O GLN A 13 -1.016 3.080 -8.555 1.00 50.02 O ATOM 206 CB GLN A 13 -3.149 0.536 -8.962 1.00 35.33 C ATOM 207 CG GLN A 13 -3.639 -0.565 -9.898 1.00 32.33 C ATOM 208 CD GLN A 13 -5.146 -0.767 -9.841 1.00 53.35 C ATOM 209 OE1 GLN A 13 -5.888 0.306 -9.641 1.00 12.14 O flip ATOM 210 NE2 GLN A 13 -5.645 -1.875 -10.000 1.00 34.14 N flip ATOM 0 H GLN A 13 -1.476 -1.234 -8.500 1.00 53.30 H new ATOM 0 HA GLN A 13 -1.368 1.073 -10.055 1.00 53.44 H new ATOM 0 HB2 GLN A 13 -3.412 0.271 -7.938 1.00 35.33 H new ATOM 0 HB3 GLN A 13 -3.677 1.460 -9.198 1.00 35.33 H new ATOM 0 HG2 GLN A 13 -3.349 -0.321 -10.920 1.00 32.33 H new ATOM 0 HG3 GLN A 13 -3.143 -1.501 -9.641 1.00 32.33 H new ATOM 0 HE21 GLN A 13 -5.047 -2.687 -10.153 1.00 34.14 H new ATOM 0 HE22 GLN A 13 -6.659 -1.985 -9.980 1.00 34.14 H new ATOM 219 N ALA A 14 -1.217 1.680 -6.802 1.00 43.11 N ATOM 220 CA ALA A 14 -0.838 2.686 -5.802 1.00 14.42 C ATOM 221 C ALA A 14 0.573 3.239 -6.068 1.00 72.23 C ATOM 222 O ALA A 14 0.783 4.455 -6.084 1.00 42.10 O ATOM 223 CB ALA A 14 -0.923 2.088 -4.401 1.00 20.22 C ATOM 0 H ALA A 14 -1.438 0.764 -6.411 1.00 43.11 H new ATOM 0 HA ALA A 14 -1.538 3.519 -5.877 1.00 14.42 H new ATOM 0 HB1 ALA A 14 -0.640 2.842 -3.666 1.00 20.22 H new ATOM 0 HB2 ALA A 14 -1.944 1.758 -4.208 1.00 20.22 H new ATOM 0 HB3 ALA A 14 -0.246 1.237 -4.327 1.00 20.22 H new ATOM 229 N LEU A 15 1.527 2.334 -6.293 1.00 44.43 N ATOM 230 CA LEU A 15 2.920 2.711 -6.576 1.00 23.12 C ATOM 231 C LEU A 15 3.036 3.586 -7.836 1.00 73.43 C ATOM 232 O LEU A 15 3.895 4.465 -7.913 1.00 22.31 O ATOM 233 CB LEU A 15 3.786 1.452 -6.734 1.00 54.40 C ATOM 234 CG LEU A 15 3.917 0.581 -5.474 1.00 44.40 C ATOM 235 CD1 LEU A 15 4.708 -0.689 -5.772 1.00 75.25 C ATOM 236 CD2 LEU A 15 4.568 1.369 -4.337 1.00 14.50 C ATOM 0 H LEU A 15 1.362 1.327 -6.285 1.00 44.43 H new ATOM 0 HA LEU A 15 3.277 3.299 -5.730 1.00 23.12 H new ATOM 0 HB2 LEU A 15 3.368 0.842 -7.535 1.00 54.40 H new ATOM 0 HB3 LEU A 15 4.784 1.755 -7.051 1.00 54.40 H new ATOM 0 HG LEU A 15 2.915 0.290 -5.158 1.00 44.40 H new ATOM 0 HD11 LEU A 15 4.788 -1.289 -4.866 1.00 75.25 H new ATOM 0 HD12 LEU A 15 4.196 -1.264 -6.544 1.00 75.25 H new ATOM 0 HD13 LEU A 15 5.706 -0.423 -6.120 1.00 75.25 H new ATOM 0 HD21 LEU A 15 4.651 0.734 -3.455 1.00 14.50 H new ATOM 0 HD22 LEU A 15 5.562 1.696 -4.643 1.00 14.50 H new ATOM 0 HD23 LEU A 15 3.956 2.240 -4.101 1.00 14.50 H new ATOM 248 N GLN A 16 2.178 3.337 -8.825 1.00 22.40 N ATOM 249 CA GLN A 16 2.177 4.132 -10.061 1.00 31.41 C ATOM 250 C GLN A 16 1.517 5.502 -9.841 1.00 53.20 C ATOM 251 O GLN A 16 1.962 6.515 -10.391 1.00 11.33 O ATOM 252 CB GLN A 16 1.449 3.384 -11.188 1.00 43.00 C ATOM 253 CG GLN A 16 2.001 1.991 -11.476 1.00 65.11 C ATOM 254 CD GLN A 16 3.496 1.985 -11.763 1.00 2.23 C ATOM 255 OE1 GLN A 16 3.925 2.122 -12.906 1.00 24.21 O ATOM 256 NE2 GLN A 16 4.301 1.824 -10.734 1.00 31.34 N ATOM 0 H GLN A 16 1.477 2.596 -8.799 1.00 22.40 H new ATOM 0 HA GLN A 16 3.216 4.289 -10.349 1.00 31.41 H new ATOM 0 HB2 GLN A 16 0.394 3.297 -10.928 1.00 43.00 H new ATOM 0 HB3 GLN A 16 1.505 3.980 -12.099 1.00 43.00 H new ATOM 0 HG2 GLN A 16 1.799 1.344 -10.623 1.00 65.11 H new ATOM 0 HG3 GLN A 16 1.472 1.567 -12.330 1.00 65.11 H new ATOM 0 HE21 GLN A 16 3.915 1.713 -9.797 1.00 31.34 H new ATOM 0 HE22 GLN A 16 5.311 1.811 -10.874 1.00 31.34 H new ATOM 265 N THR A 17 0.458 5.523 -9.029 1.00 32.10 N ATOM 266 CA THR A 17 -0.292 6.760 -8.747 1.00 12.03 C ATOM 267 C THR A 17 0.611 7.847 -8.137 1.00 42.45 C ATOM 268 O THR A 17 0.640 8.984 -8.610 1.00 14.33 O ATOM 269 CB THR A 17 -1.493 6.494 -7.796 1.00 71.02 C ATOM 270 OG1 THR A 17 -2.401 5.552 -8.391 1.00 1.14 O ATOM 271 CG2 THR A 17 -2.248 7.781 -7.469 1.00 32.31 C ATOM 0 H THR A 17 0.096 4.698 -8.552 1.00 32.10 H new ATOM 0 HA THR A 17 -0.671 7.117 -9.705 1.00 12.03 H new ATOM 0 HB THR A 17 -1.089 6.085 -6.870 1.00 71.02 H new ATOM 0 HG1 THR A 17 -1.968 4.675 -8.455 1.00 1.14 H new ATOM 0 HG21 THR A 17 -3.080 7.555 -6.802 1.00 32.31 H new ATOM 0 HG22 THR A 17 -1.573 8.485 -6.982 1.00 32.31 H new ATOM 0 HG23 THR A 17 -2.630 8.223 -8.389 1.00 32.31 H new ATOM 279 N HIS A 18 1.346 7.496 -7.078 1.00 33.53 N ATOM 280 CA HIS A 18 2.314 8.417 -6.461 1.00 55.24 C ATOM 281 C HIS A 18 3.538 7.657 -5.919 1.00 35.40 C ATOM 282 O HIS A 18 3.408 6.564 -5.372 1.00 2.13 O ATOM 283 CB HIS A 18 1.661 9.243 -5.338 1.00 3.22 C ATOM 284 CG HIS A 18 0.692 10.277 -5.834 1.00 1.40 C ATOM 285 ND1 HIS A 18 -0.636 10.422 -5.625 1.00 1.44 N flip ATOM 286 CD2 HIS A 18 1.058 11.323 -6.655 1.00 13.03 C flip ATOM 287 CE1 HIS A 18 -1.040 11.538 -6.316 1.00 54.22 C flip ATOM 288 NE2 HIS A 18 0.000 12.062 -6.926 1.00 10.40 N flip ATOM 0 H HIS A 18 1.292 6.582 -6.628 1.00 33.53 H new ATOM 0 HA HIS A 18 2.651 9.102 -7.239 1.00 55.24 H new ATOM 0 HB2 HIS A 18 1.142 8.568 -4.658 1.00 3.22 H new ATOM 0 HB3 HIS A 18 2.443 9.738 -4.761 1.00 3.22 H new ATOM 0 HD2 HIS A 18 2.057 11.508 -7.020 1.00 13.03 H new ATOM 0 HE1 HIS A 18 -2.048 11.923 -6.352 1.00 54.22 H new ATOM 0 HE2 HIS A 18 -0.010 12.898 -7.510 1.00 10.40 H new ATOM 297 N PRO A 19 4.743 8.248 -6.043 1.00 35.33 N ATOM 298 CA PRO A 19 6.001 7.581 -5.659 1.00 54.22 C ATOM 299 C PRO A 19 6.209 7.507 -4.136 1.00 62.41 C ATOM 300 O PRO A 19 6.939 6.645 -3.639 1.00 62.11 O ATOM 301 CB PRO A 19 7.072 8.458 -6.320 1.00 4.13 C ATOM 302 CG PRO A 19 6.460 9.818 -6.395 1.00 61.33 C ATOM 303 CD PRO A 19 4.974 9.611 -6.567 1.00 61.44 C ATOM 0 HA PRO A 19 6.022 6.539 -5.978 1.00 54.22 H new ATOM 0 HB2 PRO A 19 7.991 8.470 -5.734 1.00 4.13 H new ATOM 0 HB3 PRO A 19 7.331 8.086 -7.311 1.00 4.13 H new ATOM 0 HG2 PRO A 19 6.670 10.388 -5.490 1.00 61.33 H new ATOM 0 HG3 PRO A 19 6.872 10.383 -7.231 1.00 61.33 H new ATOM 0 HD2 PRO A 19 4.400 10.354 -6.014 1.00 61.44 H new ATOM 0 HD3 PRO A 19 4.677 9.693 -7.613 1.00 61.44 H new ATOM 311 N GLY A 20 5.565 8.413 -3.398 1.00 23.41 N ATOM 312 CA GLY A 20 5.650 8.398 -1.939 1.00 2.42 C ATOM 313 C GLY A 20 5.094 7.118 -1.322 1.00 55.50 C ATOM 314 O GLY A 20 5.485 6.727 -0.220 1.00 14.12 O ATOM 0 H GLY A 20 4.985 9.159 -3.783 1.00 23.41 H new ATOM 0 HA2 GLY A 20 6.692 8.516 -1.640 1.00 2.42 H new ATOM 0 HA3 GLY A 20 5.105 9.254 -1.540 1.00 2.42 H new ATOM 318 N VAL A 21 4.188 6.460 -2.050 1.00 50.44 N ATOM 319 CA VAL A 21 3.583 5.203 -1.601 1.00 25.51 C ATOM 320 C VAL A 21 4.655 4.154 -1.273 1.00 14.51 C ATOM 321 O VAL A 21 4.544 3.429 -0.286 1.00 53.11 O ATOM 322 CB VAL A 21 2.617 4.639 -2.675 1.00 41.41 C ATOM 323 CG1 VAL A 21 1.975 3.331 -2.212 1.00 24.11 C ATOM 324 CG2 VAL A 21 1.549 5.673 -3.029 1.00 72.53 C ATOM 0 H VAL A 21 3.855 6.780 -2.960 1.00 50.44 H new ATOM 0 HA VAL A 21 3.019 5.422 -0.694 1.00 25.51 H new ATOM 0 HB VAL A 21 3.199 4.422 -3.571 1.00 41.41 H new ATOM 0 HG11 VAL A 21 1.303 2.961 -2.987 1.00 24.11 H new ATOM 0 HG12 VAL A 21 2.753 2.591 -2.022 1.00 24.11 H new ATOM 0 HG13 VAL A 21 1.411 3.507 -1.296 1.00 24.11 H new ATOM 0 HG21 VAL A 21 0.880 5.261 -3.784 1.00 72.53 H new ATOM 0 HG22 VAL A 21 0.977 5.926 -2.136 1.00 72.53 H new ATOM 0 HG23 VAL A 21 2.027 6.571 -3.420 1.00 72.53 H new ATOM 334 N ALA A 22 5.702 4.097 -2.093 1.00 32.32 N ATOM 335 CA ALA A 22 6.812 3.165 -1.865 1.00 34.31 C ATOM 336 C ALA A 22 7.457 3.387 -0.486 1.00 13.53 C ATOM 337 O ALA A 22 7.640 2.442 0.286 1.00 4.43 O ATOM 338 CB ALA A 22 7.852 3.308 -2.971 1.00 71.23 C ATOM 0 H ALA A 22 5.808 4.683 -2.921 1.00 32.32 H new ATOM 0 HA ALA A 22 6.412 2.151 -1.883 1.00 34.31 H new ATOM 0 HB1 ALA A 22 8.671 2.612 -2.792 1.00 71.23 H new ATOM 0 HB2 ALA A 22 7.392 3.087 -3.934 1.00 71.23 H new ATOM 0 HB3 ALA A 22 8.237 4.328 -2.979 1.00 71.23 H new ATOM 344 N GLY A 23 7.782 4.644 -0.179 1.00 24.44 N ATOM 345 CA GLY A 23 8.366 4.981 1.119 1.00 32.34 C ATOM 346 C GLY A 23 7.456 4.614 2.290 1.00 34.41 C ATOM 347 O GLY A 23 7.926 4.148 3.331 1.00 74.12 O ATOM 0 H GLY A 23 7.652 5.438 -0.805 1.00 24.44 H new ATOM 0 HA2 GLY A 23 9.319 4.463 1.229 1.00 32.34 H new ATOM 0 HA3 GLY A 23 8.578 6.050 1.151 1.00 32.34 H new ATOM 351 N VAL A 24 6.149 4.811 2.118 1.00 32.31 N ATOM 352 CA VAL A 24 5.169 4.463 3.153 1.00 22.32 C ATOM 353 C VAL A 24 5.076 2.939 3.349 1.00 70.15 C ATOM 354 O VAL A 24 5.187 2.442 4.468 1.00 2.31 O ATOM 355 CB VAL A 24 3.766 5.027 2.809 1.00 22.24 C ATOM 356 CG1 VAL A 24 2.752 4.670 3.895 1.00 3.24 C ATOM 357 CG2 VAL A 24 3.830 6.540 2.603 1.00 61.13 C ATOM 0 H VAL A 24 5.742 5.210 1.272 1.00 32.31 H new ATOM 0 HA VAL A 24 5.514 4.915 4.083 1.00 22.32 H new ATOM 0 HB VAL A 24 3.435 4.568 1.877 1.00 22.24 H new ATOM 0 HG11 VAL A 24 1.776 5.077 3.630 1.00 3.24 H new ATOM 0 HG12 VAL A 24 2.681 3.586 3.984 1.00 3.24 H new ATOM 0 HG13 VAL A 24 3.075 5.092 4.847 1.00 3.24 H new ATOM 0 HG21 VAL A 24 2.836 6.917 2.363 1.00 61.13 H new ATOM 0 HG22 VAL A 24 4.188 7.017 3.516 1.00 61.13 H new ATOM 0 HG23 VAL A 24 4.512 6.767 1.784 1.00 61.13 H new ATOM 367 N LEU A 25 4.892 2.201 2.254 1.00 1.33 N ATOM 368 CA LEU A 25 4.800 0.735 2.316 1.00 12.32 C ATOM 369 C LEU A 25 6.048 0.122 2.972 1.00 71.44 C ATOM 370 O LEU A 25 5.943 -0.747 3.840 1.00 50.21 O ATOM 371 CB LEU A 25 4.606 0.143 0.912 1.00 44.35 C ATOM 372 CG LEU A 25 3.328 0.586 0.176 1.00 62.21 C ATOM 373 CD1 LEU A 25 3.223 -0.095 -1.186 1.00 71.41 C ATOM 374 CD2 LEU A 25 2.085 0.304 1.021 1.00 24.31 C ATOM 0 H LEU A 25 4.804 2.589 1.315 1.00 1.33 H new ATOM 0 HA LEU A 25 3.933 0.488 2.929 1.00 12.32 H new ATOM 0 HB2 LEU A 25 5.468 0.412 0.301 1.00 44.35 H new ATOM 0 HB3 LEU A 25 4.599 -0.944 0.993 1.00 44.35 H new ATOM 0 HG LEU A 25 3.389 1.662 0.014 1.00 62.21 H new ATOM 0 HD11 LEU A 25 2.313 0.233 -1.688 1.00 71.41 H new ATOM 0 HD12 LEU A 25 4.088 0.171 -1.793 1.00 71.41 H new ATOM 0 HD13 LEU A 25 3.193 -1.176 -1.051 1.00 71.41 H new ATOM 0 HD21 LEU A 25 1.196 0.626 0.479 1.00 24.31 H new ATOM 0 HD22 LEU A 25 2.019 -0.765 1.225 1.00 24.31 H new ATOM 0 HD23 LEU A 25 2.153 0.849 1.962 1.00 24.31 H new ATOM 386 N ARG A 26 7.228 0.585 2.558 1.00 54.13 N ATOM 387 CA ARG A 26 8.493 0.126 3.150 1.00 21.41 C ATOM 388 C ARG A 26 8.561 0.463 4.651 1.00 31.44 C ATOM 389 O ARG A 26 9.110 -0.300 5.449 1.00 65.03 O ATOM 390 CB ARG A 26 9.677 0.749 2.397 1.00 64.12 C ATOM 391 CG ARG A 26 9.738 0.352 0.923 1.00 42.12 C ATOM 392 CD ARG A 26 10.810 1.129 0.164 1.00 20.21 C ATOM 393 NE ARG A 26 12.162 0.803 0.618 1.00 41.23 N ATOM 394 CZ ARG A 26 13.137 1.667 0.693 1.00 42.42 C ATOM 395 NH1 ARG A 26 12.928 2.915 0.432 1.00 2.32 N ATOM 396 NH2 ARG A 26 14.321 1.281 1.039 1.00 30.13 N ATOM 0 H ARG A 26 7.338 1.277 1.816 1.00 54.13 H new ATOM 0 HA ARG A 26 8.545 -0.959 3.056 1.00 21.41 H new ATOM 0 HB2 ARG A 26 9.613 1.835 2.470 1.00 64.12 H new ATOM 0 HB3 ARG A 26 10.605 0.450 2.884 1.00 64.12 H new ATOM 0 HG2 ARG A 26 9.940 -0.716 0.844 1.00 42.12 H new ATOM 0 HG3 ARG A 26 8.767 0.528 0.460 1.00 42.12 H new ATOM 0 HD2 ARG A 26 10.726 0.913 -0.901 1.00 20.21 H new ATOM 0 HD3 ARG A 26 10.636 2.198 0.288 1.00 20.21 H new ATOM 0 HE ARG A 26 12.355 -0.160 0.893 1.00 41.23 H new ATOM 0 HH11 ARG A 26 11.996 3.231 0.165 1.00 2.32 H new ATOM 0 HH12 ARG A 26 13.695 3.584 0.493 1.00 2.32 H new ATOM 0 HH21 ARG A 26 14.495 0.299 1.254 1.00 30.13 H new ATOM 0 HH22 ARG A 26 15.082 1.958 1.097 1.00 30.13 H new ATOM 410 N SER A 27 7.989 1.606 5.029 1.00 3.34 N ATOM 411 CA SER A 27 7.909 2.008 6.444 1.00 72.20 C ATOM 412 C SER A 27 6.935 1.114 7.229 1.00 60.53 C ATOM 413 O SER A 27 7.142 0.829 8.411 1.00 51.22 O ATOM 414 CB SER A 27 7.467 3.475 6.562 1.00 14.10 C ATOM 415 OG SER A 27 7.348 3.871 7.919 1.00 10.41 O ATOM 0 H SER A 27 7.573 2.274 4.380 1.00 3.34 H new ATOM 0 HA SER A 27 8.905 1.893 6.873 1.00 72.20 H new ATOM 0 HB2 SER A 27 8.189 4.116 6.056 1.00 14.10 H new ATOM 0 HB3 SER A 27 6.511 3.611 6.056 1.00 14.10 H new ATOM 0 HG SER A 27 7.067 4.809 7.963 1.00 10.41 H new ATOM 421 N TYR A 28 5.871 0.672 6.560 1.00 63.35 N ATOM 422 CA TYR A 28 4.861 -0.199 7.177 1.00 10.34 C ATOM 423 C TYR A 28 5.127 -1.687 6.878 1.00 34.43 C ATOM 424 O TYR A 28 4.196 -2.480 6.754 1.00 54.11 O ATOM 425 CB TYR A 28 3.458 0.203 6.691 1.00 34.14 C ATOM 426 CG TYR A 28 2.926 1.477 7.332 1.00 74.31 C ATOM 427 CD1 TYR A 28 3.450 2.723 7.000 1.00 1.21 C ATOM 428 CD2 TYR A 28 1.907 1.430 8.279 1.00 41.11 C ATOM 429 CE1 TYR A 28 2.970 3.881 7.584 1.00 64.24 C ATOM 430 CE2 TYR A 28 1.422 2.584 8.867 1.00 14.21 C ATOM 431 CZ TYR A 28 1.959 3.806 8.518 1.00 73.12 C ATOM 432 OH TYR A 28 1.484 4.959 9.109 1.00 31.11 O ATOM 0 H TYR A 28 5.682 0.902 5.584 1.00 63.35 H new ATOM 0 HA TYR A 28 4.922 -0.069 8.258 1.00 10.34 H new ATOM 0 HB2 TYR A 28 3.483 0.335 5.609 1.00 34.14 H new ATOM 0 HB3 TYR A 28 2.765 -0.613 6.897 1.00 34.14 H new ATOM 0 HD1 TYR A 28 4.246 2.787 6.273 1.00 1.21 H new ATOM 0 HD2 TYR A 28 1.488 0.475 8.560 1.00 41.11 H new ATOM 0 HE1 TYR A 28 3.385 4.839 7.310 1.00 64.24 H new ATOM 0 HE2 TYR A 28 0.627 2.529 9.596 1.00 14.21 H new ATOM 0 HH TYR A 28 0.772 4.732 9.743 1.00 31.11 H new ATOM 442 N ASN A 29 6.405 -2.050 6.745 1.00 41.35 N ATOM 443 CA ASN A 29 6.827 -3.459 6.592 1.00 72.53 C ATOM 444 C ASN A 29 6.402 -4.073 5.235 1.00 14.05 C ATOM 445 O ASN A 29 6.832 -5.174 4.879 1.00 23.14 O ATOM 446 CB ASN A 29 6.274 -4.303 7.756 1.00 71.11 C ATOM 447 CG ASN A 29 6.868 -5.699 7.813 1.00 55.23 C ATOM 448 OD1 ASN A 29 6.360 -6.634 7.200 1.00 32.23 O ATOM 449 ND2 ASN A 29 7.946 -5.855 8.558 1.00 50.31 N ATOM 0 H ASN A 29 7.179 -1.385 6.739 1.00 41.35 H new ATOM 0 HA ASN A 29 7.917 -3.469 6.612 1.00 72.53 H new ATOM 0 HB2 ASN A 29 6.475 -3.790 8.697 1.00 71.11 H new ATOM 0 HB3 ASN A 29 5.191 -4.379 7.660 1.00 71.11 H new ATOM 0 HD21 ASN A 29 8.382 -6.773 8.637 1.00 50.31 H new ATOM 0 HD22 ASN A 29 8.343 -5.057 9.054 1.00 50.31 H new ATOM 456 N LEU A 30 5.578 -3.360 4.470 1.00 0.32 N ATOM 457 CA LEU A 30 5.074 -3.865 3.185 1.00 43.32 C ATOM 458 C LEU A 30 6.122 -3.735 2.064 1.00 4.52 C ATOM 459 O LEU A 30 5.857 -4.071 0.912 1.00 44.45 O ATOM 460 CB LEU A 30 3.789 -3.121 2.794 1.00 0.23 C ATOM 461 CG LEU A 30 2.626 -3.252 3.792 1.00 74.42 C ATOM 462 CD1 LEU A 30 1.417 -2.453 3.322 1.00 25.01 C ATOM 463 CD2 LEU A 30 2.254 -4.719 4.000 1.00 70.44 C ATOM 0 H LEU A 30 5.242 -2.428 4.714 1.00 0.32 H new ATOM 0 HA LEU A 30 4.857 -4.926 3.311 1.00 43.32 H new ATOM 0 HB2 LEU A 30 4.024 -2.064 2.671 1.00 0.23 H new ATOM 0 HB3 LEU A 30 3.457 -3.489 1.823 1.00 0.23 H new ATOM 0 HG LEU A 30 2.953 -2.844 4.748 1.00 74.42 H new ATOM 0 HD11 LEU A 30 0.607 -2.561 4.043 1.00 25.01 H new ATOM 0 HD12 LEU A 30 1.688 -1.401 3.235 1.00 25.01 H new ATOM 0 HD13 LEU A 30 1.090 -2.825 2.351 1.00 25.01 H new ATOM 0 HD21 LEU A 30 1.429 -4.788 4.709 1.00 70.44 H new ATOM 0 HD22 LEU A 30 1.952 -5.156 3.048 1.00 70.44 H new ATOM 0 HD23 LEU A 30 3.115 -5.261 4.391 1.00 70.44 H new ATOM 475 N GLY A 31 7.322 -3.273 2.412 1.00 65.24 N ATOM 476 CA GLY A 31 8.396 -3.131 1.428 1.00 42.11 C ATOM 477 C GLY A 31 8.826 -4.453 0.789 1.00 44.25 C ATOM 478 O GLY A 31 9.555 -4.458 -0.204 1.00 34.21 O ATOM 0 H GLY A 31 7.575 -2.992 3.360 1.00 65.24 H new ATOM 0 HA2 GLY A 31 8.070 -2.448 0.644 1.00 42.11 H new ATOM 0 HA3 GLY A 31 9.260 -2.673 1.910 1.00 42.11 H new ATOM 482 N CYS A 32 8.372 -5.571 1.355 1.00 13.43 N ATOM 483 CA CYS A 32 8.699 -6.907 0.830 1.00 14.33 C ATOM 484 C CYS A 32 7.676 -7.397 -0.214 1.00 21.44 C ATOM 485 O CYS A 32 7.716 -8.558 -0.632 1.00 51.33 O ATOM 486 CB CYS A 32 8.784 -7.924 1.979 1.00 23.01 C ATOM 487 SG CYS A 32 10.086 -7.574 3.188 1.00 3.53 S ATOM 0 H CYS A 32 7.774 -5.583 2.181 1.00 13.43 H new ATOM 0 HA CYS A 32 9.665 -6.823 0.333 1.00 14.33 H new ATOM 0 HB2 CYS A 32 7.824 -7.954 2.494 1.00 23.01 H new ATOM 0 HB3 CYS A 32 8.951 -8.916 1.559 1.00 23.01 H new ATOM 0 HG CYS A 32 10.074 -8.485 4.115 1.00 3.53 H new ATOM 493 N ILE A 33 6.762 -6.517 -0.642 1.00 1.01 N ATOM 494 CA ILE A 33 5.750 -6.887 -1.648 1.00 10.14 C ATOM 495 C ILE A 33 6.386 -7.421 -2.943 1.00 24.05 C ATOM 496 O ILE A 33 5.829 -8.303 -3.593 1.00 52.44 O ATOM 497 CB ILE A 33 4.805 -5.706 -1.997 1.00 11.02 C ATOM 498 CG1 ILE A 33 5.615 -4.445 -2.348 1.00 62.34 C ATOM 499 CG2 ILE A 33 3.834 -5.438 -0.848 1.00 65.40 C ATOM 500 CD1 ILE A 33 4.760 -3.253 -2.737 1.00 33.53 C ATOM 0 H ILE A 33 6.699 -5.553 -0.314 1.00 1.01 H new ATOM 0 HA ILE A 33 5.163 -7.682 -1.189 1.00 10.14 H new ATOM 0 HB ILE A 33 4.219 -5.980 -2.875 1.00 11.02 H new ATOM 0 HG12 ILE A 33 6.233 -4.172 -1.493 1.00 62.34 H new ATOM 0 HG13 ILE A 33 6.292 -4.677 -3.170 1.00 62.34 H new ATOM 0 HG21 ILE A 33 3.180 -4.607 -1.111 1.00 65.40 H new ATOM 0 HG22 ILE A 33 3.233 -6.329 -0.664 1.00 65.40 H new ATOM 0 HG23 ILE A 33 4.396 -5.187 0.052 1.00 65.40 H new ATOM 0 HD11 ILE A 33 5.403 -2.404 -2.970 1.00 33.53 H new ATOM 0 HD12 ILE A 33 4.161 -3.505 -3.612 1.00 33.53 H new ATOM 0 HD13 ILE A 33 4.101 -2.992 -1.909 1.00 33.53 H new ATOM 512 N GLY A 34 7.552 -6.892 -3.308 1.00 4.11 N ATOM 513 CA GLY A 34 8.255 -7.372 -4.495 1.00 40.43 C ATOM 514 C GLY A 34 8.701 -8.827 -4.373 1.00 61.33 C ATOM 515 O GLY A 34 8.461 -9.638 -5.270 1.00 12.20 O ATOM 0 H GLY A 34 8.025 -6.140 -2.806 1.00 4.11 H new ATOM 0 HA2 GLY A 34 7.604 -7.268 -5.363 1.00 40.43 H new ATOM 0 HA3 GLY A 34 9.127 -6.743 -4.673 1.00 40.43 H new ATOM 519 N CYS A 35 9.338 -9.158 -3.249 1.00 12.24 N ATOM 520 CA CYS A 35 9.811 -10.525 -2.986 1.00 3.51 C ATOM 521 C CYS A 35 8.659 -11.544 -2.998 1.00 11.42 C ATOM 522 O CYS A 35 8.791 -12.640 -3.546 1.00 24.22 O ATOM 523 CB CYS A 35 10.539 -10.582 -1.638 1.00 21.23 C ATOM 524 SG CYS A 35 11.116 -12.235 -1.174 1.00 61.34 S ATOM 0 H CYS A 35 9.541 -8.496 -2.500 1.00 12.24 H new ATOM 0 HA CYS A 35 10.500 -10.791 -3.787 1.00 3.51 H new ATOM 0 HB2 CYS A 35 11.394 -9.907 -1.671 1.00 21.23 H new ATOM 0 HB3 CYS A 35 9.870 -10.212 -0.861 1.00 21.23 H new ATOM 0 HG CYS A 35 11.718 -12.177 -0.023 1.00 61.34 H new ATOM 530 N MET A 36 7.529 -11.183 -2.390 1.00 55.20 N ATOM 531 CA MET A 36 6.341 -12.053 -2.385 1.00 11.41 C ATOM 532 C MET A 36 5.509 -11.890 -3.673 1.00 71.04 C ATOM 533 O MET A 36 4.547 -12.625 -3.900 1.00 41.45 O ATOM 534 CB MET A 36 5.476 -11.774 -1.145 1.00 63.04 C ATOM 535 CG MET A 36 4.953 -10.345 -1.049 1.00 51.23 C ATOM 536 SD MET A 36 4.044 -10.026 0.481 1.00 52.43 S ATOM 537 CE MET A 36 2.672 -11.170 0.316 1.00 30.00 C ATOM 0 H MET A 36 7.406 -10.299 -1.895 1.00 55.20 H new ATOM 0 HA MET A 36 6.688 -13.085 -2.347 1.00 11.41 H new ATOM 0 HB2 MET A 36 4.628 -12.459 -1.147 1.00 63.04 H new ATOM 0 HB3 MET A 36 6.061 -11.994 -0.252 1.00 63.04 H new ATOM 0 HG2 MET A 36 5.791 -9.652 -1.118 1.00 51.23 H new ATOM 0 HG3 MET A 36 4.302 -10.144 -1.900 1.00 51.23 H new ATOM 0 HE1 MET A 36 1.760 -10.701 0.686 1.00 30.00 H new ATOM 0 HE2 MET A 36 2.544 -11.435 -0.733 1.00 30.00 H new ATOM 0 HE3 MET A 36 2.877 -12.070 0.895 1.00 30.00 H new ATOM 547 N GLY A 37 5.891 -10.924 -4.511 1.00 1.04 N ATOM 548 CA GLY A 37 5.212 -10.704 -5.788 1.00 61.45 C ATOM 549 C GLY A 37 3.796 -10.149 -5.646 1.00 74.34 C ATOM 550 O GLY A 37 2.966 -10.326 -6.535 1.00 42.33 O ATOM 0 H GLY A 37 6.664 -10.284 -4.329 1.00 1.04 H new ATOM 0 HA2 GLY A 37 5.804 -10.014 -6.389 1.00 61.45 H new ATOM 0 HA3 GLY A 37 5.170 -11.647 -6.333 1.00 61.45 H new ATOM 554 N ALA A 38 3.532 -9.454 -4.544 1.00 72.14 N ATOM 555 CA ALA A 38 2.196 -8.917 -4.250 1.00 64.02 C ATOM 556 C ALA A 38 1.951 -7.579 -4.968 1.00 62.52 C ATOM 557 O ALA A 38 1.612 -6.575 -4.347 1.00 24.23 O ATOM 558 CB ALA A 38 2.015 -8.758 -2.741 1.00 34.11 C ATOM 0 H ALA A 38 4.229 -9.245 -3.830 1.00 72.14 H new ATOM 0 HA ALA A 38 1.459 -9.627 -4.624 1.00 64.02 H new ATOM 0 HB1 ALA A 38 1.022 -8.359 -2.534 1.00 34.11 H new ATOM 0 HB2 ALA A 38 2.125 -9.729 -2.257 1.00 34.11 H new ATOM 0 HB3 ALA A 38 2.769 -8.072 -2.354 1.00 34.11 H new ATOM 564 N GLN A 39 2.137 -7.575 -6.282 1.00 72.13 N ATOM 565 CA GLN A 39 1.882 -6.383 -7.100 1.00 52.51 C ATOM 566 C GLN A 39 0.399 -6.283 -7.485 1.00 14.34 C ATOM 567 O GLN A 39 -0.199 -5.208 -7.427 1.00 12.04 O ATOM 568 CB GLN A 39 2.753 -6.411 -8.364 1.00 12.21 C ATOM 569 CG GLN A 39 4.254 -6.407 -8.083 1.00 14.35 C ATOM 570 CD GLN A 39 4.716 -5.145 -7.365 1.00 1.14 C ATOM 571 OE1 GLN A 39 5.075 -4.153 -7.992 1.00 3.24 O ATOM 572 NE2 GLN A 39 4.712 -5.170 -6.047 1.00 61.31 N ATOM 0 H GLN A 39 2.464 -8.384 -6.811 1.00 72.13 H new ATOM 0 HA GLN A 39 2.140 -5.505 -6.507 1.00 52.51 H new ATOM 0 HB2 GLN A 39 2.505 -7.299 -8.945 1.00 12.21 H new ATOM 0 HB3 GLN A 39 2.507 -5.547 -8.982 1.00 12.21 H new ATOM 0 HG2 GLN A 39 4.508 -7.278 -7.478 1.00 14.35 H new ATOM 0 HG3 GLN A 39 4.796 -6.503 -9.024 1.00 14.35 H new ATOM 0 HE21 GLN A 39 4.408 -6.009 -5.554 1.00 61.31 H new ATOM 0 HE22 GLN A 39 5.013 -4.350 -5.520 1.00 61.31 H new ATOM 581 N ASN A 40 -0.186 -7.417 -7.869 1.00 13.20 N ATOM 582 CA ASN A 40 -1.602 -7.482 -8.257 1.00 1.14 C ATOM 583 C ASN A 40 -2.505 -7.698 -7.036 1.00 21.32 C ATOM 584 O ASN A 40 -3.732 -7.658 -7.139 1.00 35.15 O ATOM 585 CB ASN A 40 -1.821 -8.614 -9.262 1.00 32.01 C ATOM 586 CG ASN A 40 -0.834 -8.555 -10.407 1.00 44.34 C ATOM 587 OD1 ASN A 40 -1.053 -7.871 -11.401 1.00 2.15 O ATOM 588 ND2 ASN A 40 0.264 -9.274 -10.281 1.00 41.43 N ATOM 0 H ASN A 40 0.300 -8.312 -7.921 1.00 13.20 H new ATOM 0 HA ASN A 40 -1.866 -6.529 -8.716 1.00 1.14 H new ATOM 0 HB2 ASN A 40 -1.729 -9.573 -8.753 1.00 32.01 H new ATOM 0 HB3 ASN A 40 -2.836 -8.558 -9.655 1.00 32.01 H new ATOM 0 HD21 ASN A 40 0.963 -9.272 -11.024 1.00 41.43 H new ATOM 0 HD22 ASN A 40 0.415 -9.832 -9.441 1.00 41.43 H new ATOM 595 N GLU A 41 -1.893 -7.936 -5.884 1.00 51.52 N ATOM 596 CA GLU A 41 -2.639 -8.126 -4.641 1.00 62.51 C ATOM 597 C GLU A 41 -3.141 -6.778 -4.097 1.00 22.43 C ATOM 598 O GLU A 41 -2.458 -5.758 -4.214 1.00 73.02 O ATOM 599 CB GLU A 41 -1.761 -8.846 -3.607 1.00 14.34 C ATOM 600 CG GLU A 41 -2.511 -9.286 -2.350 1.00 44.44 C ATOM 601 CD GLU A 41 -1.771 -10.362 -1.568 1.00 35.51 C ATOM 602 OE1 GLU A 41 -1.397 -11.387 -2.180 1.00 51.15 O ATOM 603 OE2 GLU A 41 -1.577 -10.210 -0.345 1.00 3.15 O ATOM 0 H GLU A 41 -0.880 -8.003 -5.781 1.00 51.52 H new ATOM 0 HA GLU A 41 -3.511 -8.747 -4.845 1.00 62.51 H new ATOM 0 HB2 GLU A 41 -1.312 -9.722 -4.075 1.00 14.34 H new ATOM 0 HB3 GLU A 41 -0.944 -8.185 -3.317 1.00 14.34 H new ATOM 0 HG2 GLU A 41 -2.671 -8.421 -1.706 1.00 44.44 H new ATOM 0 HG3 GLU A 41 -3.495 -9.660 -2.632 1.00 44.44 H new ATOM 610 N SER A 42 -4.344 -6.772 -3.531 1.00 34.42 N ATOM 611 CA SER A 42 -4.956 -5.533 -3.028 1.00 62.41 C ATOM 612 C SER A 42 -4.295 -5.056 -1.727 1.00 32.12 C ATOM 613 O SER A 42 -3.810 -5.865 -0.933 1.00 63.05 O ATOM 614 CB SER A 42 -6.460 -5.735 -2.805 1.00 43.42 C ATOM 615 OG SER A 42 -7.098 -6.179 -3.994 1.00 51.21 O ATOM 0 H SER A 42 -4.918 -7.606 -3.406 1.00 34.42 H new ATOM 0 HA SER A 42 -4.801 -4.763 -3.783 1.00 62.41 H new ATOM 0 HB2 SER A 42 -6.618 -6.464 -2.010 1.00 43.42 H new ATOM 0 HB3 SER A 42 -6.911 -4.799 -2.474 1.00 43.42 H new ATOM 0 HG SER A 42 -7.588 -5.434 -4.400 1.00 51.21 H new ATOM 621 N LEU A 43 -4.305 -3.739 -1.509 1.00 72.11 N ATOM 622 CA LEU A 43 -3.667 -3.129 -0.333 1.00 33.41 C ATOM 623 C LEU A 43 -4.119 -3.785 0.985 1.00 30.42 C ATOM 624 O LEU A 43 -3.298 -4.059 1.861 1.00 25.32 O ATOM 625 CB LEU A 43 -3.952 -1.618 -0.296 1.00 61.13 C ATOM 626 CG LEU A 43 -3.287 -0.793 -1.412 1.00 23.42 C ATOM 627 CD1 LEU A 43 -3.665 0.682 -1.297 1.00 63.21 C ATOM 628 CD2 LEU A 43 -1.771 -0.962 -1.371 1.00 61.51 C ATOM 0 H LEU A 43 -4.750 -3.068 -2.135 1.00 72.11 H new ATOM 0 HA LEU A 43 -2.594 -3.295 -0.427 1.00 33.41 H new ATOM 0 HB2 LEU A 43 -5.030 -1.467 -0.350 1.00 61.13 H new ATOM 0 HB3 LEU A 43 -3.623 -1.227 0.667 1.00 61.13 H new ATOM 0 HG LEU A 43 -3.651 -1.163 -2.371 1.00 23.42 H new ATOM 0 HD11 LEU A 43 -3.183 1.245 -2.097 1.00 63.21 H new ATOM 0 HD12 LEU A 43 -4.747 0.788 -1.380 1.00 63.21 H new ATOM 0 HD13 LEU A 43 -3.336 1.068 -0.332 1.00 63.21 H new ATOM 0 HD21 LEU A 43 -1.317 -0.372 -2.167 1.00 61.51 H new ATOM 0 HD22 LEU A 43 -1.393 -0.622 -0.407 1.00 61.51 H new ATOM 0 HD23 LEU A 43 -1.518 -2.013 -1.510 1.00 61.51 H new ATOM 640 N GLU A 44 -5.421 -4.040 1.119 1.00 53.33 N ATOM 641 CA GLU A 44 -5.955 -4.675 2.333 1.00 30.24 C ATOM 642 C GLU A 44 -5.379 -6.086 2.531 1.00 40.45 C ATOM 643 O GLU A 44 -4.912 -6.430 3.618 1.00 3.14 O ATOM 644 CB GLU A 44 -7.490 -4.735 2.291 1.00 74.13 C ATOM 645 CG GLU A 44 -8.107 -5.378 3.533 1.00 1.15 C ATOM 646 CD GLU A 44 -9.628 -5.325 3.546 1.00 41.15 C ATOM 647 OE1 GLU A 44 -10.258 -5.995 2.702 1.00 73.35 O ATOM 648 OE2 GLU A 44 -10.201 -4.621 4.409 1.00 23.05 O ATOM 0 H GLU A 44 -6.122 -3.821 0.412 1.00 53.33 H new ATOM 0 HA GLU A 44 -5.650 -4.061 3.180 1.00 30.24 H new ATOM 0 HB2 GLU A 44 -7.883 -3.724 2.181 1.00 74.13 H new ATOM 0 HB3 GLU A 44 -7.800 -5.295 1.409 1.00 74.13 H new ATOM 0 HG2 GLU A 44 -7.786 -6.418 3.593 1.00 1.15 H new ATOM 0 HG3 GLU A 44 -7.725 -4.875 4.422 1.00 1.15 H new ATOM 655 N GLN A 45 -5.408 -6.888 1.470 1.00 34.40 N ATOM 656 CA GLN A 45 -4.899 -8.264 1.513 1.00 44.24 C ATOM 657 C GLN A 45 -3.439 -8.305 2.001 1.00 24.24 C ATOM 658 O GLN A 45 -3.110 -9.015 2.956 1.00 14.34 O ATOM 659 CB GLN A 45 -5.012 -8.908 0.122 1.00 1.21 C ATOM 660 CG GLN A 45 -6.428 -8.904 -0.450 1.00 70.02 C ATOM 661 CD GLN A 45 -6.512 -9.496 -1.851 1.00 14.22 C ATOM 662 OE1 GLN A 45 -5.743 -10.380 -2.218 1.00 34.14 O ATOM 663 NE2 GLN A 45 -7.436 -9.004 -2.652 1.00 43.54 N ATOM 0 H GLN A 45 -5.781 -6.610 0.562 1.00 34.40 H new ATOM 0 HA GLN A 45 -5.505 -8.829 2.222 1.00 44.24 H new ATOM 0 HB2 GLN A 45 -4.351 -8.381 -0.566 1.00 1.21 H new ATOM 0 HB3 GLN A 45 -4.657 -9.937 0.179 1.00 1.21 H new ATOM 0 HG2 GLN A 45 -7.083 -9.467 0.215 1.00 70.02 H new ATOM 0 HG3 GLN A 45 -6.801 -7.880 -0.473 1.00 70.02 H new ATOM 0 HE21 GLN A 45 -8.061 -8.270 -2.319 1.00 43.54 H new ATOM 0 HE22 GLN A 45 -7.526 -9.358 -3.605 1.00 43.54 H new ATOM 672 N GLY A 46 -2.575 -7.522 1.356 1.00 42.13 N ATOM 673 CA GLY A 46 -1.168 -7.465 1.746 1.00 33.44 C ATOM 674 C GLY A 46 -0.955 -6.929 3.163 1.00 42.52 C ATOM 675 O GLY A 46 -0.083 -7.409 3.895 1.00 35.41 O ATOM 0 H GLY A 46 -2.822 -6.923 0.568 1.00 42.13 H new ATOM 0 HA2 GLY A 46 -0.737 -8.464 1.674 1.00 33.44 H new ATOM 0 HA3 GLY A 46 -0.628 -6.833 1.041 1.00 33.44 H new ATOM 679 N ALA A 47 -1.750 -5.931 3.552 1.00 44.34 N ATOM 680 CA ALA A 47 -1.676 -5.358 4.902 1.00 74.53 C ATOM 681 C ALA A 47 -1.924 -6.427 5.977 1.00 13.22 C ATOM 682 O ALA A 47 -1.089 -6.646 6.860 1.00 34.15 O ATOM 683 CB ALA A 47 -2.680 -4.219 5.047 1.00 62.12 C ATOM 0 H ALA A 47 -2.454 -5.501 2.952 1.00 44.34 H new ATOM 0 HA ALA A 47 -0.669 -4.965 5.046 1.00 74.53 H new ATOM 0 HB1 ALA A 47 -2.615 -3.803 6.052 1.00 62.12 H new ATOM 0 HB2 ALA A 47 -2.456 -3.441 4.317 1.00 62.12 H new ATOM 0 HB3 ALA A 47 -3.687 -4.598 4.876 1.00 62.12 H new ATOM 689 N ASN A 48 -3.069 -7.103 5.887 1.00 72.44 N ATOM 690 CA ASN A 48 -3.417 -8.165 6.836 1.00 64.14 C ATOM 691 C ASN A 48 -2.426 -9.338 6.762 1.00 63.53 C ATOM 692 O ASN A 48 -2.188 -10.025 7.757 1.00 53.12 O ATOM 693 CB ASN A 48 -4.847 -8.658 6.590 1.00 21.14 C ATOM 694 CG ASN A 48 -5.883 -7.598 6.925 1.00 22.51 C ATOM 695 OD1 ASN A 48 -6.324 -7.481 8.064 1.00 13.54 O ATOM 696 ND2 ASN A 48 -6.288 -6.825 5.943 1.00 2.42 N ATOM 0 H ASN A 48 -3.772 -6.936 5.168 1.00 72.44 H new ATOM 0 HA ASN A 48 -3.357 -7.743 7.839 1.00 64.14 H new ATOM 0 HB2 ASN A 48 -4.954 -8.952 5.546 1.00 21.14 H new ATOM 0 HB3 ASN A 48 -5.032 -9.548 7.192 1.00 21.14 H new ATOM 0 HD21 ASN A 48 -6.988 -6.104 6.117 1.00 2.42 H new ATOM 0 HD22 ASN A 48 -5.903 -6.946 5.006 1.00 2.42 H new ATOM 703 N ALA A 49 -1.848 -9.558 5.583 1.00 11.51 N ATOM 704 CA ALA A 49 -0.810 -10.580 5.403 1.00 11.33 C ATOM 705 C ALA A 49 0.432 -10.286 6.268 1.00 10.10 C ATOM 706 O ALA A 49 1.082 -11.203 6.774 1.00 44.02 O ATOM 707 CB ALA A 49 -0.422 -10.682 3.930 1.00 61.11 C ATOM 0 H ALA A 49 -2.079 -9.043 4.734 1.00 11.51 H new ATOM 0 HA ALA A 49 -1.221 -11.535 5.730 1.00 11.33 H new ATOM 0 HB1 ALA A 49 0.349 -11.443 3.809 1.00 61.11 H new ATOM 0 HB2 ALA A 49 -1.298 -10.955 3.341 1.00 61.11 H new ATOM 0 HB3 ALA A 49 -0.040 -9.721 3.587 1.00 61.11 H new ATOM 713 N HIS A 50 0.752 -9.001 6.436 1.00 4.13 N ATOM 714 CA HIS A 50 1.915 -8.581 7.237 1.00 41.22 C ATOM 715 C HIS A 50 1.521 -8.172 8.671 1.00 44.31 C ATOM 716 O HIS A 50 2.355 -7.687 9.434 1.00 41.45 O ATOM 717 CB HIS A 50 2.649 -7.427 6.536 1.00 33.12 C ATOM 718 CG HIS A 50 3.370 -7.840 5.282 1.00 11.52 C ATOM 719 ND1 HIS A 50 4.730 -7.688 5.111 1.00 54.41 N ATOM 720 CD2 HIS A 50 2.914 -8.393 4.128 1.00 43.51 C ATOM 721 CE1 HIS A 50 5.079 -8.125 3.919 1.00 75.43 C ATOM 722 NE2 HIS A 50 3.999 -8.559 3.300 1.00 40.52 N ATOM 0 H HIS A 50 0.224 -8.229 6.029 1.00 4.13 H new ATOM 0 HA HIS A 50 2.581 -9.440 7.319 1.00 41.22 H new ATOM 0 HB2 HIS A 50 1.929 -6.647 6.290 1.00 33.12 H new ATOM 0 HB3 HIS A 50 3.367 -6.990 7.230 1.00 33.12 H new ATOM 0 HD1 HIS A 50 5.369 -7.296 5.803 1.00 54.41 H new ATOM 0 HD2 HIS A 50 1.890 -8.654 3.903 1.00 43.51 H new ATOM 0 HE1 HIS A 50 6.081 -8.127 3.516 1.00 75.43 H new ATOM 0 HE2 HIS A 50 3.973 -8.954 2.360 1.00 40.52 H new ATOM 731 N GLY A 51 0.257 -8.380 9.035 1.00 64.22 N ATOM 732 CA GLY A 51 -0.188 -8.114 10.406 1.00 61.33 C ATOM 733 C GLY A 51 -0.495 -6.641 10.697 1.00 63.42 C ATOM 734 O GLY A 51 -0.311 -6.172 11.823 1.00 73.11 O ATOM 0 H GLY A 51 -0.471 -8.727 8.410 1.00 64.22 H new ATOM 0 HA2 GLY A 51 -1.082 -8.705 10.606 1.00 61.33 H new ATOM 0 HA3 GLY A 51 0.582 -8.456 11.098 1.00 61.33 H new ATOM 738 N LEU A 52 -0.964 -5.912 9.687 1.00 33.50 N ATOM 739 CA LEU A 52 -1.362 -4.501 9.853 1.00 51.42 C ATOM 740 C LEU A 52 -2.783 -4.266 9.322 1.00 74.33 C ATOM 741 O LEU A 52 -3.341 -5.112 8.621 1.00 33.11 O ATOM 742 CB LEU A 52 -0.380 -3.576 9.117 1.00 1.43 C ATOM 743 CG LEU A 52 1.082 -3.645 9.589 1.00 72.01 C ATOM 744 CD1 LEU A 52 1.957 -2.701 8.771 1.00 71.23 C ATOM 745 CD2 LEU A 52 1.192 -3.326 11.080 1.00 34.43 C ATOM 0 H LEU A 52 -1.081 -6.269 8.739 1.00 33.50 H new ATOM 0 HA LEU A 52 -1.343 -4.272 10.919 1.00 51.42 H new ATOM 0 HB2 LEU A 52 -0.411 -3.815 8.054 1.00 1.43 H new ATOM 0 HB3 LEU A 52 -0.729 -2.549 9.223 1.00 1.43 H new ATOM 0 HG LEU A 52 1.438 -4.664 9.435 1.00 72.01 H new ATOM 0 HD11 LEU A 52 2.987 -2.765 9.121 1.00 71.23 H new ATOM 0 HD12 LEU A 52 1.913 -2.984 7.719 1.00 71.23 H new ATOM 0 HD13 LEU A 52 1.597 -1.679 8.887 1.00 71.23 H new ATOM 0 HD21 LEU A 52 2.236 -3.382 11.388 1.00 34.43 H new ATOM 0 HD22 LEU A 52 0.812 -2.322 11.266 1.00 34.43 H new ATOM 0 HD23 LEU A 52 0.606 -4.047 11.650 1.00 34.43 H new ATOM 757 N ASN A 53 -3.373 -3.121 9.659 1.00 43.33 N ATOM 758 CA ASN A 53 -4.686 -2.750 9.120 1.00 61.14 C ATOM 759 C ASN A 53 -4.531 -1.726 7.988 1.00 11.33 C ATOM 760 O ASN A 53 -3.814 -0.729 8.124 1.00 73.24 O ATOM 761 CB ASN A 53 -5.603 -2.195 10.216 1.00 43.54 C ATOM 762 CG ASN A 53 -7.019 -1.952 9.714 1.00 44.53 C ATOM 763 OD1 ASN A 53 -7.490 -2.615 8.797 1.00 44.21 O ATOM 764 ND2 ASN A 53 -7.707 -0.996 10.302 1.00 34.25 N ATOM 0 H ASN A 53 -2.969 -2.436 10.298 1.00 43.33 H new ATOM 0 HA ASN A 53 -5.148 -3.652 8.720 1.00 61.14 H new ATOM 0 HB2 ASN A 53 -5.631 -2.894 11.052 1.00 43.54 H new ATOM 0 HB3 ASN A 53 -5.189 -1.261 10.595 1.00 43.54 H new ATOM 0 HD21 ASN A 53 -8.658 -0.791 9.997 1.00 34.25 H new ATOM 0 HD22 ASN A 53 -7.289 -0.461 11.063 1.00 34.25 H new ATOM 771 N VAL A 54 -5.221 -1.974 6.880 1.00 62.53 N ATOM 772 CA VAL A 54 -5.072 -1.166 5.665 1.00 44.13 C ATOM 773 C VAL A 54 -5.466 0.307 5.873 1.00 3.35 C ATOM 774 O VAL A 54 -4.894 1.195 5.251 1.00 75.54 O ATOM 775 CB VAL A 54 -5.916 -1.760 4.511 1.00 4.54 C ATOM 776 CG1 VAL A 54 -7.412 -1.667 4.816 1.00 23.03 C ATOM 777 CG2 VAL A 54 -5.581 -1.083 3.181 1.00 12.41 C ATOM 0 H VAL A 54 -5.896 -2.734 6.794 1.00 62.53 H new ATOM 0 HA VAL A 54 -4.013 -1.193 5.409 1.00 44.13 H new ATOM 0 HB VAL A 54 -5.661 -2.816 4.421 1.00 4.54 H new ATOM 0 HG11 VAL A 54 -7.979 -2.092 3.988 1.00 23.03 H new ATOM 0 HG12 VAL A 54 -7.632 -2.221 5.729 1.00 23.03 H new ATOM 0 HG13 VAL A 54 -7.692 -0.622 4.949 1.00 23.03 H new ATOM 0 HG21 VAL A 54 -6.188 -1.519 2.388 1.00 12.41 H new ATOM 0 HG22 VAL A 54 -5.791 -0.016 3.253 1.00 12.41 H new ATOM 0 HG23 VAL A 54 -4.525 -1.231 2.953 1.00 12.41 H new ATOM 787 N GLU A 55 -6.433 0.562 6.753 1.00 73.54 N ATOM 788 CA GLU A 55 -6.972 1.918 6.946 1.00 34.31 C ATOM 789 C GLU A 55 -5.912 2.908 7.460 1.00 71.40 C ATOM 790 O GLU A 55 -5.802 4.024 6.950 1.00 43.34 O ATOM 791 CB GLU A 55 -8.176 1.875 7.894 1.00 43.21 C ATOM 792 CG GLU A 55 -9.333 1.047 7.351 1.00 53.44 C ATOM 793 CD GLU A 55 -10.502 0.961 8.315 1.00 21.53 C ATOM 794 OE1 GLU A 55 -10.462 0.104 9.223 1.00 63.32 O ATOM 795 OE2 GLU A 55 -11.469 1.738 8.168 1.00 23.23 O ATOM 0 H GLU A 55 -6.863 -0.148 7.346 1.00 73.54 H new ATOM 0 HA GLU A 55 -7.293 2.282 5.970 1.00 34.31 H new ATOM 0 HB2 GLU A 55 -7.861 1.464 8.853 1.00 43.21 H new ATOM 0 HB3 GLU A 55 -8.521 2.892 8.081 1.00 43.21 H new ATOM 0 HG2 GLU A 55 -9.675 1.482 6.412 1.00 53.44 H new ATOM 0 HG3 GLU A 55 -8.979 0.041 7.127 1.00 53.44 H new ATOM 802 N ASP A 56 -5.142 2.504 8.468 1.00 42.33 N ATOM 803 CA ASP A 56 -4.034 3.329 8.972 1.00 30.42 C ATOM 804 C ASP A 56 -3.041 3.665 7.843 1.00 1.13 C ATOM 805 O ASP A 56 -2.572 4.800 7.720 1.00 52.42 O ATOM 806 CB ASP A 56 -3.319 2.602 10.121 1.00 73.31 C ATOM 807 CG ASP A 56 -2.193 3.419 10.739 1.00 1.14 C ATOM 808 OD1 ASP A 56 -2.313 4.662 10.804 1.00 22.35 O ATOM 809 OD2 ASP A 56 -1.185 2.819 11.172 1.00 24.41 O ATOM 0 H ASP A 56 -5.260 1.615 8.954 1.00 42.33 H new ATOM 0 HA ASP A 56 -4.443 4.266 9.348 1.00 30.42 H new ATOM 0 HB2 ASP A 56 -4.046 2.355 10.894 1.00 73.31 H new ATOM 0 HB3 ASP A 56 -2.915 1.660 9.751 1.00 73.31 H new ATOM 814 N ILE A 57 -2.745 2.670 7.008 1.00 62.34 N ATOM 815 CA ILE A 57 -1.860 2.857 5.855 1.00 75.04 C ATOM 816 C ILE A 57 -2.486 3.823 4.833 1.00 41.10 C ATOM 817 O ILE A 57 -1.847 4.778 4.391 1.00 22.13 O ATOM 818 CB ILE A 57 -1.559 1.503 5.164 1.00 33.11 C ATOM 819 CG1 ILE A 57 -1.058 0.476 6.194 1.00 31.41 C ATOM 820 CG2 ILE A 57 -0.534 1.685 4.042 1.00 61.21 C ATOM 821 CD1 ILE A 57 -0.846 -0.912 5.625 1.00 62.13 C ATOM 0 H ILE A 57 -3.106 1.721 7.108 1.00 62.34 H new ATOM 0 HA ILE A 57 -0.927 3.284 6.224 1.00 75.04 H new ATOM 0 HB ILE A 57 -2.483 1.128 4.723 1.00 33.11 H new ATOM 0 HG12 ILE A 57 -0.119 0.831 6.619 1.00 31.41 H new ATOM 0 HG13 ILE A 57 -1.776 0.417 7.012 1.00 31.41 H new ATOM 0 HG21 ILE A 57 -0.337 0.723 3.570 1.00 61.21 H new ATOM 0 HG22 ILE A 57 -0.927 2.380 3.300 1.00 61.21 H new ATOM 0 HG23 ILE A 57 0.392 2.082 4.456 1.00 61.21 H new ATOM 0 HD11 ILE A 57 -0.493 -1.578 6.412 1.00 62.13 H new ATOM 0 HD12 ILE A 57 -1.787 -1.289 5.226 1.00 62.13 H new ATOM 0 HD13 ILE A 57 -0.105 -0.869 4.827 1.00 62.13 H new ATOM 833 N LEU A 58 -3.748 3.575 4.474 1.00 14.24 N ATOM 834 CA LEU A 58 -4.480 4.427 3.526 1.00 5.24 C ATOM 835 C LEU A 58 -4.512 5.884 3.994 1.00 63.11 C ATOM 836 O LEU A 58 -4.411 6.806 3.187 1.00 33.11 O ATOM 837 CB LEU A 58 -5.917 3.919 3.341 1.00 33.51 C ATOM 838 CG LEU A 58 -6.055 2.547 2.666 1.00 13.14 C ATOM 839 CD1 LEU A 58 -7.523 2.128 2.594 1.00 23.24 C ATOM 840 CD2 LEU A 58 -5.426 2.561 1.275 1.00 3.12 C ATOM 0 H LEU A 58 -4.290 2.786 4.827 1.00 14.24 H new ATOM 0 HA LEU A 58 -3.953 4.380 2.573 1.00 5.24 H new ATOM 0 HB2 LEU A 58 -6.395 3.872 4.319 1.00 33.51 H new ATOM 0 HB3 LEU A 58 -6.469 4.651 2.751 1.00 33.51 H new ATOM 0 HG LEU A 58 -5.520 1.814 3.270 1.00 13.14 H new ATOM 0 HD11 LEU A 58 -7.600 1.153 2.112 1.00 23.24 H new ATOM 0 HD12 LEU A 58 -7.934 2.068 3.602 1.00 23.24 H new ATOM 0 HD13 LEU A 58 -8.083 2.863 2.016 1.00 23.24 H new ATOM 0 HD21 LEU A 58 -5.536 1.578 0.816 1.00 3.12 H new ATOM 0 HD22 LEU A 58 -5.925 3.308 0.657 1.00 3.12 H new ATOM 0 HD23 LEU A 58 -4.367 2.807 1.357 1.00 3.12 H new ATOM 852 N ARG A 59 -4.662 6.084 5.299 1.00 2.22 N ATOM 853 CA ARG A 59 -4.641 7.427 5.882 1.00 0.44 C ATOM 854 C ARG A 59 -3.364 8.184 5.481 1.00 74.14 C ATOM 855 O ARG A 59 -3.424 9.328 5.026 1.00 12.52 O ATOM 856 CB ARG A 59 -4.763 7.338 7.412 1.00 31.12 C ATOM 857 CG ARG A 59 -4.595 8.674 8.131 1.00 24.01 C ATOM 858 CD ARG A 59 -5.028 8.597 9.592 1.00 51.23 C ATOM 859 NE ARG A 59 -4.334 7.545 10.340 1.00 44.32 N ATOM 860 CZ ARG A 59 -4.560 7.286 11.603 1.00 61.20 C ATOM 861 NH1 ARG A 59 -5.454 7.953 12.261 1.00 33.04 N ATOM 862 NH2 ARG A 59 -3.910 6.343 12.199 1.00 24.12 N ATOM 0 H ARG A 59 -4.800 5.334 5.977 1.00 2.22 H new ATOM 0 HA ARG A 59 -5.493 7.985 5.493 1.00 0.44 H new ATOM 0 HB2 ARG A 59 -5.739 6.923 7.664 1.00 31.12 H new ATOM 0 HB3 ARG A 59 -4.013 6.640 7.785 1.00 31.12 H new ATOM 0 HG2 ARG A 59 -3.552 8.985 8.078 1.00 24.01 H new ATOM 0 HG3 ARG A 59 -5.181 9.437 7.619 1.00 24.01 H new ATOM 0 HD2 ARG A 59 -4.843 9.558 10.071 1.00 51.23 H new ATOM 0 HD3 ARG A 59 -6.102 8.419 9.638 1.00 51.23 H new ATOM 0 HE ARG A 59 -3.637 6.984 9.850 1.00 44.32 H new ATOM 0 HH11 ARG A 59 -5.988 8.687 11.795 1.00 33.04 H new ATOM 0 HH12 ARG A 59 -5.624 7.745 13.245 1.00 33.04 H new ATOM 0 HH21 ARG A 59 -3.218 5.797 11.686 1.00 24.12 H new ATOM 0 HH22 ARG A 59 -4.089 6.144 13.183 1.00 24.12 H new ATOM 876 N ASP A 60 -2.215 7.527 5.622 1.00 31.54 N ATOM 877 CA ASP A 60 -0.929 8.135 5.265 1.00 50.31 C ATOM 878 C ASP A 60 -0.772 8.242 3.731 1.00 42.25 C ATOM 879 O ASP A 60 -0.247 9.233 3.218 1.00 25.04 O ATOM 880 CB ASP A 60 0.222 7.321 5.874 1.00 3.13 C ATOM 881 CG ASP A 60 1.457 8.166 6.137 1.00 53.12 C ATOM 882 OD1 ASP A 60 1.569 8.731 7.251 1.00 55.34 O ATOM 883 OD2 ASP A 60 2.320 8.277 5.246 1.00 61.11 O ATOM 0 H ASP A 60 -2.145 6.575 5.980 1.00 31.54 H new ATOM 0 HA ASP A 60 -0.899 9.146 5.672 1.00 50.31 H new ATOM 0 HB2 ASP A 60 -0.111 6.870 6.809 1.00 3.13 H new ATOM 0 HB3 ASP A 60 0.481 6.504 5.200 1.00 3.13 H new ATOM 888 N LEU A 61 -1.248 7.223 3.007 1.00 44.14 N ATOM 889 CA LEU A 61 -1.181 7.209 1.536 1.00 23.32 C ATOM 890 C LEU A 61 -1.985 8.365 0.914 1.00 5.44 C ATOM 891 O LEU A 61 -1.474 9.118 0.086 1.00 62.14 O ATOM 892 CB LEU A 61 -1.698 5.870 0.988 1.00 53.24 C ATOM 893 CG LEU A 61 -0.861 4.633 1.354 1.00 4.43 C ATOM 894 CD1 LEU A 61 -1.493 3.364 0.781 1.00 63.34 C ATOM 895 CD2 LEU A 61 0.574 4.793 0.862 1.00 41.03 C ATOM 0 H LEU A 61 -1.685 6.395 3.413 1.00 44.14 H new ATOM 0 HA LEU A 61 -0.134 7.338 1.260 1.00 23.32 H new ATOM 0 HB2 LEU A 61 -2.715 5.718 1.350 1.00 53.24 H new ATOM 0 HB3 LEU A 61 -1.754 5.940 -0.098 1.00 53.24 H new ATOM 0 HG LEU A 61 -0.841 4.541 2.440 1.00 4.43 H new ATOM 0 HD11 LEU A 61 -0.885 2.501 1.052 1.00 63.34 H new ATOM 0 HD12 LEU A 61 -2.497 3.242 1.187 1.00 63.34 H new ATOM 0 HD13 LEU A 61 -1.548 3.443 -0.305 1.00 63.34 H new ATOM 0 HD21 LEU A 61 1.151 3.908 1.130 1.00 41.03 H new ATOM 0 HD22 LEU A 61 0.576 4.913 -0.221 1.00 41.03 H new ATOM 0 HD23 LEU A 61 1.022 5.672 1.325 1.00 41.03 H new ATOM 907 N ASN A 62 -3.248 8.500 1.314 1.00 44.44 N ATOM 908 CA ASN A 62 -4.094 9.591 0.822 1.00 10.35 C ATOM 909 C ASN A 62 -3.595 10.950 1.335 1.00 20.11 C ATOM 910 O ASN A 62 -3.808 11.983 0.696 1.00 3.13 O ATOM 911 CB ASN A 62 -5.562 9.365 1.215 1.00 64.14 C ATOM 912 CG ASN A 62 -6.189 8.198 0.465 1.00 2.04 C ATOM 913 OD1 ASN A 62 -6.702 8.355 -0.639 1.00 44.41 O ATOM 914 ND2 ASN A 62 -6.177 7.023 1.063 1.00 1.10 N ATOM 0 H ASN A 62 -3.708 7.873 1.974 1.00 44.44 H new ATOM 0 HA ASN A 62 -4.031 9.599 -0.266 1.00 10.35 H new ATOM 0 HB2 ASN A 62 -5.624 9.180 2.287 1.00 64.14 H new ATOM 0 HB3 ASN A 62 -6.133 10.272 1.014 1.00 64.14 H new ATOM 0 HD21 ASN A 62 -6.601 6.215 0.608 1.00 1.10 H new ATOM 0 HD22 ASN A 62 -5.743 6.922 1.981 1.00 1.10 H new ATOM 921 N ALA A 63 -2.913 10.945 2.482 1.00 41.21 N ATOM 922 CA ALA A 63 -2.277 12.158 3.007 1.00 45.41 C ATOM 923 C ALA A 63 -1.227 12.707 2.023 1.00 72.31 C ATOM 924 O ALA A 63 -0.943 13.904 2.013 1.00 43.51 O ATOM 925 CB ALA A 63 -1.643 11.885 4.366 1.00 33.24 C ATOM 0 H ALA A 63 -2.786 10.118 3.065 1.00 41.21 H new ATOM 0 HA ALA A 63 -3.051 12.915 3.130 1.00 45.41 H new ATOM 0 HB1 ALA A 63 -1.176 12.796 4.739 1.00 33.24 H new ATOM 0 HB2 ALA A 63 -2.411 11.557 5.067 1.00 33.24 H new ATOM 0 HB3 ALA A 63 -0.888 11.106 4.265 1.00 33.24 H new ATOM 931 N LEU A 64 -0.665 11.822 1.196 1.00 63.22 N ATOM 932 CA LEU A 64 0.295 12.218 0.154 1.00 10.54 C ATOM 933 C LEU A 64 -0.386 13.048 -0.950 1.00 25.20 C ATOM 934 O LEU A 64 0.272 13.793 -1.676 1.00 42.41 O ATOM 935 CB LEU A 64 0.947 10.973 -0.466 1.00 14.43 C ATOM 936 CG LEU A 64 1.695 10.057 0.518 1.00 11.20 C ATOM 937 CD1 LEU A 64 2.185 8.795 -0.189 1.00 24.03 C ATOM 938 CD2 LEU A 64 2.859 10.796 1.180 1.00 52.02 C ATOM 0 H LEU A 64 -0.857 10.821 1.226 1.00 63.22 H new ATOM 0 HA LEU A 64 1.060 12.835 0.625 1.00 10.54 H new ATOM 0 HB2 LEU A 64 0.173 10.388 -0.963 1.00 14.43 H new ATOM 0 HB3 LEU A 64 1.646 11.296 -1.237 1.00 14.43 H new ATOM 0 HG LEU A 64 0.998 9.762 1.302 1.00 11.20 H new ATOM 0 HD11 LEU A 64 2.712 8.160 0.523 1.00 24.03 H new ATOM 0 HD12 LEU A 64 1.332 8.253 -0.598 1.00 24.03 H new ATOM 0 HD13 LEU A 64 2.861 9.071 -0.998 1.00 24.03 H new ATOM 0 HD21 LEU A 64 3.370 10.125 1.871 1.00 52.02 H new ATOM 0 HD22 LEU A 64 3.559 11.132 0.415 1.00 52.02 H new ATOM 0 HD23 LEU A 64 2.478 11.659 1.727 1.00 52.02 H new ATOM 950 N ALA A 65 -1.703 12.888 -1.087 1.00 1.51 N ATOM 951 CA ALA A 65 -2.493 13.683 -2.038 1.00 31.10 C ATOM 952 C ALA A 65 -3.013 14.970 -1.378 1.00 41.45 C ATOM 953 O ALA A 65 -3.150 16.008 -2.027 1.00 15.30 O ATOM 954 CB ALA A 65 -3.654 12.855 -2.579 1.00 0.15 C ATOM 0 H ALA A 65 -2.250 12.214 -0.551 1.00 1.51 H new ATOM 0 HA ALA A 65 -1.846 13.967 -2.868 1.00 31.10 H new ATOM 0 HB1 ALA A 65 -4.232 13.455 -3.282 1.00 0.15 H new ATOM 0 HB2 ALA A 65 -3.266 11.973 -3.088 1.00 0.15 H new ATOM 0 HB3 ALA A 65 -4.295 12.545 -1.754 1.00 0.15 H new