USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 46:sc= 0.755 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 118:sc= 0.0972 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.253 USER MOD Single : A 28 HIS : no HD1:sc= -0.198 K(o=-0.2,f=-0.78) USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= -1.25 (180deg=-1.71) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0626 USER MOD Single : A 46 GLN : amide:sc= -2.24! K(o=-2.2!,f=-4.1) USER MOD Single : A 49 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 9 3.483 -4.374 -2.058 1.00 0.00 N ATOM 78 CA GLY A 9 2.540 -4.029 -1.011 1.00 0.00 C ATOM 79 C GLY A 9 2.659 -2.581 -0.577 1.00 0.00 C ATOM 80 O GLY A 9 3.114 -2.294 0.531 1.00 0.00 O ATOM 0 HA2 GLY A 9 1.526 -4.217 -1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.704 -4.678 -0.150 1.00 0.00 H new ATOM 84 N TYR A 10 2.251 -1.668 -1.450 1.00 0.00 N ATOM 85 CA TYR A 10 2.318 -0.242 -1.153 1.00 0.00 C ATOM 86 C TYR A 10 1.131 0.498 -1.762 1.00 0.00 C ATOM 87 O TYR A 10 0.937 0.490 -2.978 1.00 0.00 O ATOM 88 CB TYR A 10 3.626 0.349 -1.680 1.00 0.00 C ATOM 89 CG TYR A 10 4.763 0.286 -0.685 1.00 0.00 C ATOM 90 CD1 TYR A 10 5.501 -0.880 -0.518 1.00 0.00 C ATOM 91 CD2 TYR A 10 5.099 1.390 0.087 1.00 0.00 C ATOM 92 CE1 TYR A 10 6.540 -0.943 0.390 1.00 0.00 C ATOM 93 CE2 TYR A 10 6.138 1.337 0.996 1.00 0.00 C ATOM 94 CZ TYR A 10 6.855 0.168 1.145 1.00 0.00 C ATOM 95 OH TYR A 10 7.890 0.110 2.050 1.00 0.00 O ATOM 0 H TYR A 10 1.870 -1.890 -2.370 1.00 0.00 H new ATOM 0 HA TYR A 10 2.282 -0.120 -0.070 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.917 -0.184 -2.586 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.458 1.388 -1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.258 -1.751 -1.108 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.538 2.306 -0.025 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.103 -1.857 0.508 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.388 2.206 1.587 1.00 0.00 H new ATOM 0 HH TYR A 10 7.981 0.977 2.499 1.00 0.00 H new ATOM 105 N VAL A 11 0.339 1.137 -0.907 1.00 0.00 N ATOM 106 CA VAL A 11 -0.829 1.884 -1.359 1.00 0.00 C ATOM 107 C VAL A 11 -0.740 3.348 -0.942 1.00 0.00 C ATOM 108 O VAL A 11 -0.251 3.667 0.142 1.00 0.00 O ATOM 109 CB VAL A 11 -2.132 1.282 -0.801 1.00 0.00 C ATOM 110 CG1 VAL A 11 -2.326 -0.138 -1.313 1.00 0.00 C ATOM 111 CG2 VAL A 11 -2.123 1.312 0.720 1.00 0.00 C ATOM 0 H VAL A 11 0.485 1.152 0.102 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.844 1.818 -2.447 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.970 1.886 -1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.252 -0.547 -0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.379 -0.128 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.487 -0.757 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.051 0.883 1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.278 0.732 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.034 2.343 1.063 1.00 0.00 H new ATOM 121 N ILE A 12 -1.216 4.235 -1.810 1.00 0.00 N ATOM 122 CA ILE A 12 -1.192 5.665 -1.531 1.00 0.00 C ATOM 123 C ILE A 12 -2.574 6.171 -1.132 1.00 0.00 C ATOM 124 O ILE A 12 -3.582 5.507 -1.370 1.00 0.00 O ATOM 125 CB ILE A 12 -0.696 6.468 -2.749 1.00 0.00 C ATOM 126 CG1 ILE A 12 -0.474 7.932 -2.365 1.00 0.00 C ATOM 127 CG2 ILE A 12 -1.690 6.359 -3.895 1.00 0.00 C ATOM 128 CD1 ILE A 12 0.378 8.694 -3.357 1.00 0.00 C ATOM 0 H ILE A 12 -1.623 3.988 -2.712 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.500 5.813 -0.702 1.00 0.00 H new ATOM 0 HB ILE A 12 0.255 6.051 -3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.441 8.426 -2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.001 7.974 -1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.326 6.931 -4.748 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.802 5.313 -4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.655 6.754 -3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.494 9.724 -3.021 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.359 8.224 -3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.104 8.683 -4.335 1.00 0.00 H new ATOM 140 N ALA A 13 -2.613 7.352 -0.525 1.00 0.00 N ATOM 141 CA ALA A 13 -3.871 7.950 -0.096 1.00 0.00 C ATOM 142 C ALA A 13 -4.553 8.680 -1.248 1.00 0.00 C ATOM 143 O ALA A 13 -3.906 9.397 -2.012 1.00 0.00 O ATOM 144 CB ALA A 13 -3.634 8.901 1.068 1.00 0.00 C ATOM 0 H ALA A 13 -1.787 7.914 -0.319 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.532 7.148 0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.582 9.340 1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.198 8.353 1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.952 9.692 0.758 1.00 0.00 H new ATOM 150 N LEU A 14 -5.863 8.492 -1.368 1.00 0.00 N ATOM 151 CA LEU A 14 -6.633 9.133 -2.428 1.00 0.00 C ATOM 152 C LEU A 14 -7.348 10.375 -1.907 1.00 0.00 C ATOM 153 O LEU A 14 -7.602 11.318 -2.657 1.00 0.00 O ATOM 154 CB LEU A 14 -7.651 8.151 -3.010 1.00 0.00 C ATOM 155 CG LEU A 14 -7.074 6.964 -3.783 1.00 0.00 C ATOM 156 CD1 LEU A 14 -8.084 5.829 -3.852 1.00 0.00 C ATOM 157 CD2 LEU A 14 -6.653 7.392 -5.181 1.00 0.00 C ATOM 0 H LEU A 14 -6.414 7.901 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.941 9.438 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.261 7.765 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.318 8.701 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.192 6.605 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.655 4.994 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.336 5.504 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.986 6.175 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.245 6.535 -5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.519 7.778 -5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.893 8.171 -5.110 1.00 0.00 H new ATOM 169 N ARG A 15 -7.669 10.370 -0.617 1.00 0.00 N ATOM 170 CA ARG A 15 -8.354 11.497 0.004 1.00 0.00 C ATOM 171 C ARG A 15 -7.798 11.769 1.399 1.00 0.00 C ATOM 172 O ARG A 15 -7.399 10.847 2.110 1.00 0.00 O ATOM 173 CB ARG A 15 -9.858 11.224 0.087 1.00 0.00 C ATOM 174 CG ARG A 15 -10.197 9.792 0.467 1.00 0.00 C ATOM 175 CD ARG A 15 -11.669 9.643 0.816 1.00 0.00 C ATOM 176 NE ARG A 15 -12.531 9.843 -0.346 1.00 0.00 N ATOM 177 CZ ARG A 15 -13.836 10.075 -0.261 1.00 0.00 C ATOM 178 NH1 ARG A 15 -14.427 10.136 0.924 1.00 0.00 N ATOM 179 NH2 ARG A 15 -14.553 10.247 -1.364 1.00 0.00 N ATOM 0 H ARG A 15 -7.466 9.598 0.018 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.185 12.379 -0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -10.301 11.900 0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.314 11.453 -0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.949 9.126 -0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.587 9.486 1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.844 8.650 1.231 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.932 10.363 1.591 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.108 9.802 -1.273 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.879 10.005 1.774 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.429 10.314 0.985 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.102 10.201 -2.278 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.555 10.425 -1.298 1.00 0.00 H new ATOM 193 N SER A 16 -7.774 13.041 1.783 1.00 0.00 N ATOM 194 CA SER A 16 -7.262 13.436 3.090 1.00 0.00 C ATOM 195 C SER A 16 -8.093 12.814 4.208 1.00 0.00 C ATOM 196 O SER A 16 -9.206 13.260 4.491 1.00 0.00 O ATOM 197 CB SER A 16 -7.265 14.960 3.224 1.00 0.00 C ATOM 198 OG SER A 16 -8.572 15.483 3.062 1.00 0.00 O ATOM 0 H SER A 16 -8.103 13.816 1.207 1.00 0.00 H new ATOM 0 HA SER A 16 -6.238 13.074 3.177 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.875 15.243 4.202 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.601 15.395 2.478 1.00 0.00 H new ATOM 0 HG SER A 16 -9.204 14.953 3.591 1.00 0.00 H new ATOM 204 N TYR A 17 -7.545 11.783 4.841 1.00 0.00 N ATOM 205 CA TYR A 17 -8.235 11.097 5.927 1.00 0.00 C ATOM 206 C TYR A 17 -7.808 11.655 7.281 1.00 0.00 C ATOM 207 O TYR A 17 -6.840 11.185 7.881 1.00 0.00 O ATOM 208 CB TYR A 17 -7.954 9.595 5.870 1.00 0.00 C ATOM 209 CG TYR A 17 -9.034 8.752 6.511 1.00 0.00 C ATOM 210 CD1 TYR A 17 -10.262 8.570 5.889 1.00 0.00 C ATOM 211 CD2 TYR A 17 -8.825 8.139 7.741 1.00 0.00 C ATOM 212 CE1 TYR A 17 -11.252 7.802 6.471 1.00 0.00 C ATOM 213 CE2 TYR A 17 -9.808 7.368 8.330 1.00 0.00 C ATOM 214 CZ TYR A 17 -11.020 7.203 7.692 1.00 0.00 C ATOM 215 OH TYR A 17 -12.002 6.437 8.276 1.00 0.00 O ATOM 0 H TYR A 17 -6.624 11.404 4.621 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.305 11.264 5.806 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.840 9.294 4.828 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.005 9.392 6.366 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.447 9.037 4.933 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.878 8.268 8.244 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.202 7.671 5.973 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.629 6.897 9.285 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.678 6.087 9.132 1.00 0.00 H new ATOM 225 N ILE A 18 -8.537 12.658 7.757 1.00 0.00 N ATOM 226 CA ILE A 18 -8.236 13.279 9.041 1.00 0.00 C ATOM 227 C ILE A 18 -9.117 12.709 10.148 1.00 0.00 C ATOM 228 O ILE A 18 -10.343 12.820 10.101 1.00 0.00 O ATOM 229 CB ILE A 18 -8.425 14.806 8.986 1.00 0.00 C ATOM 230 CG1 ILE A 18 -7.520 15.416 7.914 1.00 0.00 C ATOM 231 CG2 ILE A 18 -8.136 15.425 10.346 1.00 0.00 C ATOM 232 CD1 ILE A 18 -6.048 15.158 8.149 1.00 0.00 C ATOM 0 H ILE A 18 -9.341 13.058 7.273 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.192 13.058 9.261 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.461 15.020 8.724 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.801 15.013 6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.691 16.492 7.875 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.274 16.505 10.291 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.818 15.009 11.087 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.108 15.205 10.635 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.466 15.619 7.351 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.752 15.585 9.107 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.864 14.084 8.158 1.00 0.00 H new ATOM 244 N THR A 19 -8.484 12.098 11.145 1.00 0.00 N ATOM 245 CA THR A 19 -9.209 11.510 12.264 1.00 0.00 C ATOM 246 C THR A 19 -9.238 12.457 13.458 1.00 0.00 C ATOM 247 O THR A 19 -8.666 13.546 13.413 1.00 0.00 O ATOM 248 CB THR A 19 -8.582 10.172 12.699 1.00 0.00 C ATOM 249 OG1 THR A 19 -7.265 10.394 13.217 1.00 0.00 O ATOM 250 CG2 THR A 19 -8.517 9.200 11.531 1.00 0.00 C ATOM 0 H THR A 19 -7.470 11.998 11.200 1.00 0.00 H new ATOM 0 HA THR A 19 -10.228 11.330 11.921 1.00 0.00 H new ATOM 0 HB THR A 19 -9.209 9.737 13.477 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.231 10.112 14.155 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.071 8.262 11.862 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.524 9.011 11.159 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.910 9.629 10.734 1.00 0.00 H new ATOM 258 N ASP A 20 -9.908 12.035 14.525 1.00 0.00 N ATOM 259 CA ASP A 20 -10.010 12.846 15.733 1.00 0.00 C ATOM 260 C ASP A 20 -9.395 12.122 16.927 1.00 0.00 C ATOM 261 O ASP A 20 -9.149 12.724 17.971 1.00 0.00 O ATOM 262 CB ASP A 20 -11.473 13.184 16.024 1.00 0.00 C ATOM 263 CG ASP A 20 -12.321 11.947 16.242 1.00 0.00 C ATOM 264 OD1 ASP A 20 -12.113 10.949 15.520 1.00 0.00 O ATOM 265 OD2 ASP A 20 -13.192 11.975 17.137 1.00 0.00 O ATOM 0 H ASP A 20 -10.388 11.137 14.578 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.458 13.771 15.568 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.527 13.818 16.909 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.882 13.759 15.194 1.00 0.00 H new ATOM 270 N ASN A 21 -9.150 10.826 16.764 1.00 0.00 N ATOM 271 CA ASN A 21 -8.566 10.019 17.830 1.00 0.00 C ATOM 272 C ASN A 21 -7.207 9.466 17.410 1.00 0.00 C ATOM 273 O ASN A 21 -6.784 9.634 16.266 1.00 0.00 O ATOM 274 CB ASN A 21 -9.505 8.869 18.200 1.00 0.00 C ATOM 275 CG ASN A 21 -10.847 9.359 18.708 1.00 0.00 C ATOM 276 OD1 ASN A 21 -10.936 9.960 19.779 1.00 0.00 O ATOM 277 ND2 ASN A 21 -11.899 9.104 17.939 1.00 0.00 N ATOM 0 H ASN A 21 -9.346 10.312 15.905 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.425 10.659 18.701 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.660 8.235 17.327 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.034 8.251 18.964 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.828 9.410 18.228 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.778 8.603 17.059 1.00 0.00 H new ATOM 284 N CYS A 22 -6.530 8.807 18.343 1.00 0.00 N ATOM 285 CA CYS A 22 -5.218 8.229 18.071 1.00 0.00 C ATOM 286 C CYS A 22 -5.352 6.813 17.520 1.00 0.00 C ATOM 287 O CYS A 22 -4.561 6.386 16.679 1.00 0.00 O ATOM 288 CB CYS A 22 -4.369 8.216 19.342 1.00 0.00 C ATOM 289 SG CYS A 22 -3.683 9.828 19.788 1.00 0.00 S ATOM 0 H CYS A 22 -6.867 8.659 19.294 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.725 8.847 17.321 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.978 7.851 20.169 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.550 7.508 19.212 1.00 0.00 H new ATOM 0 HG CYS A 22 -2.983 9.715 20.877 1.00 0.00 H new ATOM 295 N SER A 23 -6.358 6.089 18.001 1.00 0.00 N ATOM 296 CA SER A 23 -6.592 4.718 17.560 1.00 0.00 C ATOM 297 C SER A 23 -6.500 4.612 16.041 1.00 0.00 C ATOM 298 O SER A 23 -5.802 3.749 15.508 1.00 0.00 O ATOM 299 CB SER A 23 -7.964 4.235 18.035 1.00 0.00 C ATOM 300 OG SER A 23 -8.053 4.262 19.449 1.00 0.00 O ATOM 0 H SER A 23 -7.024 6.428 18.695 1.00 0.00 H new ATOM 0 HA SER A 23 -5.820 4.085 17.997 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.743 4.865 17.606 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.140 3.221 17.676 1.00 0.00 H new ATOM 0 HG SER A 23 -8.940 3.951 19.727 1.00 0.00 H new ATOM 306 N LEU A 24 -7.210 5.497 15.349 1.00 0.00 N ATOM 307 CA LEU A 24 -7.209 5.504 13.890 1.00 0.00 C ATOM 308 C LEU A 24 -6.000 6.260 13.350 1.00 0.00 C ATOM 309 O LEU A 24 -5.379 7.051 14.062 1.00 0.00 O ATOM 310 CB LEU A 24 -8.498 6.139 13.364 1.00 0.00 C ATOM 311 CG LEU A 24 -9.795 5.675 14.029 1.00 0.00 C ATOM 312 CD1 LEU A 24 -10.943 6.602 13.662 1.00 0.00 C ATOM 313 CD2 LEU A 24 -10.115 4.242 13.630 1.00 0.00 C ATOM 0 H LEU A 24 -7.793 6.218 15.774 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.152 4.471 13.546 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.420 7.220 13.480 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.569 5.937 12.295 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.660 5.708 15.110 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.858 6.257 14.144 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.715 7.614 13.998 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.080 6.601 12.581 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.041 3.928 14.112 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.231 4.183 12.548 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.302 3.587 13.944 1.00 0.00 H new ATOM 325 N LEU A 25 -5.670 6.013 12.087 1.00 0.00 N ATOM 326 CA LEU A 25 -4.535 6.671 11.449 1.00 0.00 C ATOM 327 C LEU A 25 -4.983 7.921 10.697 1.00 0.00 C ATOM 328 O LEU A 25 -6.027 7.924 10.045 1.00 0.00 O ATOM 329 CB LEU A 25 -3.835 5.708 10.489 1.00 0.00 C ATOM 330 CG LEU A 25 -2.654 6.282 9.706 1.00 0.00 C ATOM 331 CD1 LEU A 25 -1.475 6.540 10.631 1.00 0.00 C ATOM 332 CD2 LEU A 25 -2.254 5.341 8.579 1.00 0.00 C ATOM 0 H LEU A 25 -6.173 5.362 11.484 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.834 6.970 12.229 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.483 4.849 11.060 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.572 5.337 9.776 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.960 7.232 9.268 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.644 6.948 10.056 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.767 7.252 11.403 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.168 5.604 11.098 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.412 5.765 8.032 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.967 4.376 8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.097 5.207 7.901 1.00 0.00 H new ATOM 344 N SER A 26 -4.185 8.980 10.793 1.00 0.00 N ATOM 345 CA SER A 26 -4.500 10.236 10.123 1.00 0.00 C ATOM 346 C SER A 26 -3.442 10.575 9.078 1.00 0.00 C ATOM 347 O SER A 26 -2.255 10.676 9.389 1.00 0.00 O ATOM 348 CB SER A 26 -4.606 11.371 11.144 1.00 0.00 C ATOM 349 OG SER A 26 -5.288 12.486 10.598 1.00 0.00 O ATOM 0 H SER A 26 -3.317 8.993 11.328 1.00 0.00 H new ATOM 0 HA SER A 26 -5.459 10.119 9.619 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.132 11.018 12.031 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.608 11.672 11.463 1.00 0.00 H new ATOM 0 HG SER A 26 -5.344 13.197 11.270 1.00 0.00 H new ATOM 355 N PHE A 27 -3.880 10.749 7.835 1.00 0.00 N ATOM 356 CA PHE A 27 -2.971 11.075 6.743 1.00 0.00 C ATOM 357 C PHE A 27 -3.659 11.964 5.710 1.00 0.00 C ATOM 358 O PHE A 27 -4.884 12.094 5.703 1.00 0.00 O ATOM 359 CB PHE A 27 -2.464 9.796 6.074 1.00 0.00 C ATOM 360 CG PHE A 27 -3.557 8.960 5.473 1.00 0.00 C ATOM 361 CD1 PHE A 27 -4.232 9.387 4.341 1.00 0.00 C ATOM 362 CD2 PHE A 27 -3.910 7.746 6.040 1.00 0.00 C ATOM 363 CE1 PHE A 27 -5.239 8.620 3.787 1.00 0.00 C ATOM 364 CE2 PHE A 27 -4.916 6.974 5.490 1.00 0.00 C ATOM 365 CZ PHE A 27 -5.580 7.411 4.361 1.00 0.00 C ATOM 0 H PHE A 27 -4.859 10.670 7.559 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.124 11.620 7.159 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.750 10.062 5.294 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.925 9.200 6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.968 10.330 3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.393 7.399 6.922 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.759 8.966 2.906 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.182 6.030 5.943 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.365 6.809 3.928 1.00 0.00 H new ATOM 375 N HIS A 28 -2.862 12.575 4.839 1.00 0.00 N ATOM 376 CA HIS A 28 -3.393 13.452 3.802 1.00 0.00 C ATOM 377 C HIS A 28 -3.380 12.757 2.444 1.00 0.00 C ATOM 378 O HIS A 28 -2.935 11.615 2.324 1.00 0.00 O ATOM 379 CB HIS A 28 -2.581 14.746 3.733 1.00 0.00 C ATOM 380 CG HIS A 28 -2.610 15.540 5.003 1.00 0.00 C ATOM 381 ND1 HIS A 28 -2.068 15.087 6.187 1.00 0.00 N ATOM 382 CD2 HIS A 28 -3.121 16.765 5.269 1.00 0.00 C ATOM 383 CE1 HIS A 28 -2.244 15.998 7.127 1.00 0.00 C ATOM 384 NE2 HIS A 28 -2.880 17.027 6.596 1.00 0.00 N ATOM 0 H HIS A 28 -1.847 12.479 4.831 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.425 13.693 4.058 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.547 14.504 3.489 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.964 15.363 2.920 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.624 17.415 4.569 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.923 15.916 8.155 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.148 17.878 7.091 1.00 0.00 H new ATOM 393 N ARG A 29 -3.872 13.453 1.424 1.00 0.00 N ATOM 394 CA ARG A 29 -3.919 12.901 0.075 1.00 0.00 C ATOM 395 C ARG A 29 -2.518 12.796 -0.518 1.00 0.00 C ATOM 396 O ARG A 29 -1.874 13.806 -0.800 1.00 0.00 O ATOM 397 CB ARG A 29 -4.801 13.770 -0.824 1.00 0.00 C ATOM 398 CG ARG A 29 -4.816 13.324 -2.277 1.00 0.00 C ATOM 399 CD ARG A 29 -5.857 14.085 -3.082 1.00 0.00 C ATOM 400 NE ARG A 29 -5.444 15.460 -3.350 1.00 0.00 N ATOM 401 CZ ARG A 29 -5.902 16.181 -4.367 1.00 0.00 C ATOM 402 NH1 ARG A 29 -6.784 15.659 -5.209 1.00 0.00 N ATOM 403 NH2 ARG A 29 -5.478 17.426 -4.545 1.00 0.00 N ATOM 0 H ARG A 29 -4.243 14.399 1.506 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.346 11.900 0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.821 13.759 -0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.452 14.802 -0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.830 13.478 -2.716 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.024 12.255 -2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.034 13.569 -4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.802 14.090 -2.540 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.766 15.891 -2.721 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.112 14.702 -5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.135 16.214 -5.989 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.799 17.831 -3.900 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.831 17.978 -5.327 1.00 0.00 H new ATOM 417 N GLY A 30 -2.050 11.565 -0.705 1.00 0.00 N ATOM 418 CA GLY A 30 -0.728 11.351 -1.263 1.00 0.00 C ATOM 419 C GLY A 30 0.200 10.639 -0.298 1.00 0.00 C ATOM 420 O GLY A 30 1.015 9.811 -0.706 1.00 0.00 O ATOM 0 H GLY A 30 -2.563 10.713 -0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.814 10.766 -2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.293 12.312 -1.538 1.00 0.00 H new ATOM 424 N ASP A 31 0.079 10.964 0.984 1.00 0.00 N ATOM 425 CA ASP A 31 0.914 10.351 2.010 1.00 0.00 C ATOM 426 C ASP A 31 0.923 8.832 1.868 1.00 0.00 C ATOM 427 O ASP A 31 -0.028 8.155 2.262 1.00 0.00 O ATOM 428 CB ASP A 31 0.418 10.742 3.403 1.00 0.00 C ATOM 429 CG ASP A 31 1.024 12.045 3.888 1.00 0.00 C ATOM 430 OD1 ASP A 31 0.865 13.069 3.190 1.00 0.00 O ATOM 431 OD2 ASP A 31 1.654 12.041 4.965 1.00 0.00 O ATOM 0 H ASP A 31 -0.589 11.649 1.338 1.00 0.00 H new ATOM 0 HA ASP A 31 1.933 10.716 1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.668 10.834 3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.660 9.947 4.108 1.00 0.00 H new ATOM 436 N LEU A 32 2.001 8.302 1.302 1.00 0.00 N ATOM 437 CA LEU A 32 2.133 6.862 1.106 1.00 0.00 C ATOM 438 C LEU A 32 1.896 6.111 2.413 1.00 0.00 C ATOM 439 O LEU A 32 2.332 6.547 3.478 1.00 0.00 O ATOM 440 CB LEU A 32 3.521 6.527 0.557 1.00 0.00 C ATOM 441 CG LEU A 32 3.819 5.043 0.344 1.00 0.00 C ATOM 442 CD1 LEU A 32 4.797 4.853 -0.804 1.00 0.00 C ATOM 443 CD2 LEU A 32 4.365 4.421 1.621 1.00 0.00 C ATOM 0 H LEU A 32 2.797 8.847 0.970 1.00 0.00 H new ATOM 0 HA LEU A 32 1.378 6.548 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.647 7.042 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.267 6.932 1.240 1.00 0.00 H new ATOM 0 HG LEU A 32 2.888 4.539 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.996 3.790 -0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.368 5.262 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.729 5.371 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.572 3.364 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.285 4.929 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.630 4.523 2.419 1.00 0.00 H new ATOM 455 N ILE A 33 1.206 4.980 2.322 1.00 0.00 N ATOM 456 CA ILE A 33 0.914 4.167 3.496 1.00 0.00 C ATOM 457 C ILE A 33 1.503 2.767 3.356 1.00 0.00 C ATOM 458 O ILE A 33 0.952 1.916 2.657 1.00 0.00 O ATOM 459 CB ILE A 33 -0.602 4.051 3.739 1.00 0.00 C ATOM 460 CG1 ILE A 33 -1.218 5.439 3.927 1.00 0.00 C ATOM 461 CG2 ILE A 33 -0.879 3.174 4.951 1.00 0.00 C ATOM 462 CD1 ILE A 33 -2.660 5.526 3.479 1.00 0.00 C ATOM 0 H ILE A 33 0.838 4.605 1.447 1.00 0.00 H new ATOM 0 HA ILE A 33 1.373 4.669 4.348 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.060 3.586 2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.156 5.716 4.979 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.629 6.168 3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.955 3.102 5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.470 2.178 4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.411 3.613 5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.031 6.538 3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.727 5.281 2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.262 4.822 4.053 1.00 0.00 H new ATOM 474 N LYS A 34 2.627 2.535 4.025 1.00 0.00 N ATOM 475 CA LYS A 34 3.291 1.237 3.979 1.00 0.00 C ATOM 476 C LYS A 34 2.459 0.174 4.689 1.00 0.00 C ATOM 477 O LYS A 34 1.937 0.407 5.781 1.00 0.00 O ATOM 478 CB LYS A 34 4.677 1.328 4.621 1.00 0.00 C ATOM 479 CG LYS A 34 5.609 0.198 4.218 1.00 0.00 C ATOM 480 CD LYS A 34 5.447 -1.009 5.127 1.00 0.00 C ATOM 481 CE LYS A 34 6.365 -0.922 6.337 1.00 0.00 C ATOM 482 NZ LYS A 34 6.605 -2.259 6.948 1.00 0.00 N ATOM 0 H LYS A 34 3.098 3.229 4.606 1.00 0.00 H new ATOM 0 HA LYS A 34 3.399 0.949 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.133 2.279 4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.567 1.328 5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.406 -0.092 3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.641 0.546 4.254 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.411 -1.080 5.459 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.665 -1.919 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.317 -0.482 6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.925 -0.257 7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.998 -2.139 7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.707 -2.780 7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.278 -2.793 6.362 1.00 0.00 H new ATOM 496 N LEU A 35 2.340 -0.992 4.065 1.00 0.00 N ATOM 497 CA LEU A 35 1.572 -2.092 4.638 1.00 0.00 C ATOM 498 C LEU A 35 2.393 -2.843 5.682 1.00 0.00 C ATOM 499 O LEU A 35 3.300 -3.604 5.344 1.00 0.00 O ATOM 500 CB LEU A 35 1.123 -3.054 3.537 1.00 0.00 C ATOM 501 CG LEU A 35 -0.110 -2.631 2.738 1.00 0.00 C ATOM 502 CD1 LEU A 35 -1.278 -2.344 3.669 1.00 0.00 C ATOM 503 CD2 LEU A 35 0.203 -1.412 1.881 1.00 0.00 C ATOM 0 H LEU A 35 2.766 -1.201 3.162 1.00 0.00 H new ATOM 0 HA LEU A 35 0.692 -1.673 5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.952 -3.192 2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.922 -4.025 3.990 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.391 -3.452 2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.146 -2.044 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.518 -3.241 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.008 -1.540 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.686 -1.124 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.510 -0.586 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.009 -1.652 1.188 1.00 0.00 H new ATOM 515 N LEU A 36 2.067 -2.625 6.951 1.00 0.00 N ATOM 516 CA LEU A 36 2.773 -3.283 8.046 1.00 0.00 C ATOM 517 C LEU A 36 2.273 -4.712 8.235 1.00 0.00 C ATOM 518 O LEU A 36 1.115 -5.032 7.963 1.00 0.00 O ATOM 519 CB LEU A 36 2.594 -2.492 9.343 1.00 0.00 C ATOM 520 CG LEU A 36 3.315 -1.146 9.412 1.00 0.00 C ATOM 521 CD1 LEU A 36 2.718 -0.276 10.508 1.00 0.00 C ATOM 522 CD2 LEU A 36 4.805 -1.351 9.644 1.00 0.00 C ATOM 0 H LEU A 36 1.319 -1.998 7.248 1.00 0.00 H new ATOM 0 HA LEU A 36 3.833 -3.319 7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.529 -2.319 9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.939 -3.109 10.172 1.00 0.00 H new ATOM 0 HG LEU A 36 3.183 -0.635 8.458 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.244 0.678 10.542 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.663 -0.101 10.299 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.819 -0.781 11.469 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.303 -0.382 9.690 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.957 -1.883 10.583 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.224 -1.935 8.825 1.00 0.00 H new ATOM 534 N PRO A 37 3.164 -5.592 8.714 1.00 0.00 N ATOM 535 CA PRO A 37 2.835 -7.001 8.954 1.00 0.00 C ATOM 536 C PRO A 37 1.878 -7.181 10.127 1.00 0.00 C ATOM 537 O PRO A 37 2.185 -6.799 11.256 1.00 0.00 O ATOM 538 CB PRO A 37 4.193 -7.634 9.269 1.00 0.00 C ATOM 539 CG PRO A 37 5.021 -6.511 9.792 1.00 0.00 C ATOM 540 CD PRO A 37 4.561 -5.281 9.060 1.00 0.00 C ATOM 0 HA PRO A 37 2.327 -7.452 8.101 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.097 -8.432 10.006 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.641 -8.075 8.378 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.889 -6.397 10.868 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.081 -6.694 9.619 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.631 -4.391 9.686 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.163 -5.094 8.171 1.00 0.00 H new ATOM 548 N VAL A 38 0.716 -7.767 9.853 1.00 0.00 N ATOM 549 CA VAL A 38 -0.285 -7.999 10.887 1.00 0.00 C ATOM 550 C VAL A 38 -0.840 -9.417 10.805 1.00 0.00 C ATOM 551 O VAL A 38 -1.092 -9.934 9.718 1.00 0.00 O ATOM 552 CB VAL A 38 -1.450 -6.997 10.776 1.00 0.00 C ATOM 553 CG1 VAL A 38 -1.974 -6.944 9.349 1.00 0.00 C ATOM 554 CG2 VAL A 38 -2.561 -7.363 11.748 1.00 0.00 C ATOM 0 H VAL A 38 0.445 -8.089 8.924 1.00 0.00 H new ATOM 0 HA VAL A 38 0.213 -7.861 11.847 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.081 -6.006 11.039 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.796 -6.231 9.290 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.173 -6.631 8.679 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.328 -7.932 9.055 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.376 -6.645 11.656 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.931 -8.362 11.519 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.174 -7.344 12.767 1.00 0.00 H new ATOM 564 N ALA A 39 -1.028 -10.040 11.964 1.00 0.00 N ATOM 565 CA ALA A 39 -1.555 -11.398 12.024 1.00 0.00 C ATOM 566 C ALA A 39 -2.914 -11.490 11.338 1.00 0.00 C ATOM 567 O ALA A 39 -3.063 -12.167 10.321 1.00 0.00 O ATOM 568 CB ALA A 39 -1.659 -11.860 13.470 1.00 0.00 C ATOM 0 H ALA A 39 -0.823 -9.626 12.874 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.864 -12.053 11.493 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.054 -12.876 13.500 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.671 -11.841 13.930 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.327 -11.195 14.017 1.00 0.00 H new ATOM 574 N THR A 40 -3.904 -10.805 11.902 1.00 0.00 N ATOM 575 CA THR A 40 -5.251 -10.812 11.346 1.00 0.00 C ATOM 576 C THR A 40 -5.784 -9.393 11.179 1.00 0.00 C ATOM 577 O THR A 40 -5.291 -8.456 11.809 1.00 0.00 O ATOM 578 CB THR A 40 -6.222 -11.611 12.235 1.00 0.00 C ATOM 579 OG1 THR A 40 -7.495 -11.726 11.589 1.00 0.00 O ATOM 580 CG2 THR A 40 -6.394 -10.940 13.589 1.00 0.00 C ATOM 0 H THR A 40 -3.798 -10.238 12.744 1.00 0.00 H new ATOM 0 HA THR A 40 -5.187 -11.291 10.369 1.00 0.00 H new ATOM 0 HB THR A 40 -5.802 -12.605 12.391 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.106 -12.237 12.160 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.084 -11.523 14.199 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.428 -10.880 14.091 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.793 -9.935 13.449 1.00 0.00 H new ATOM 588 N LEU A 41 -6.792 -9.241 10.328 1.00 0.00 N ATOM 589 CA LEU A 41 -7.393 -7.935 10.079 1.00 0.00 C ATOM 590 C LEU A 41 -8.884 -8.069 9.789 1.00 0.00 C ATOM 591 O LEU A 41 -9.375 -9.160 9.500 1.00 0.00 O ATOM 592 CB LEU A 41 -6.693 -7.245 8.906 1.00 0.00 C ATOM 593 CG LEU A 41 -5.382 -6.530 9.234 1.00 0.00 C ATOM 594 CD1 LEU A 41 -4.652 -6.143 7.958 1.00 0.00 C ATOM 595 CD2 LEU A 41 -5.645 -5.302 10.094 1.00 0.00 C ATOM 0 H LEU A 41 -7.211 -10.006 9.798 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.269 -7.328 10.976 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.494 -7.992 8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.382 -6.519 8.474 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.748 -7.214 9.798 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.721 -5.635 8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.430 -7.040 7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.280 -5.476 7.367 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.701 -4.806 10.318 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.298 -4.614 9.556 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.125 -5.605 11.024 1.00 0.00 H new ATOM 607 N GLU A 42 -9.599 -6.950 9.865 1.00 0.00 N ATOM 608 CA GLU A 42 -11.035 -6.943 9.609 1.00 0.00 C ATOM 609 C GLU A 42 -11.320 -6.866 8.112 1.00 0.00 C ATOM 610 O GLU A 42 -10.494 -6.414 7.320 1.00 0.00 O ATOM 611 CB GLU A 42 -11.697 -5.765 10.327 1.00 0.00 C ATOM 612 CG GLU A 42 -12.156 -6.092 11.738 1.00 0.00 C ATOM 613 CD GLU A 42 -12.958 -4.969 12.366 1.00 0.00 C ATOM 614 OE1 GLU A 42 -14.013 -4.607 11.805 1.00 0.00 O ATOM 615 OE2 GLU A 42 -12.530 -4.453 13.419 1.00 0.00 O ATOM 0 H GLU A 42 -9.208 -6.038 10.101 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.452 -7.874 9.993 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.994 -4.933 10.366 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.555 -5.430 9.743 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.761 -6.998 11.718 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.286 -6.303 12.359 1.00 0.00 H new ATOM 622 N PRO A 43 -12.518 -7.319 7.714 1.00 0.00 N ATOM 623 CA PRO A 43 -12.941 -7.313 6.311 1.00 0.00 C ATOM 624 C PRO A 43 -13.191 -5.903 5.787 1.00 0.00 C ATOM 625 O PRO A 43 -14.311 -5.398 5.847 1.00 0.00 O ATOM 626 CB PRO A 43 -14.244 -8.116 6.329 1.00 0.00 C ATOM 627 CG PRO A 43 -14.763 -7.964 7.717 1.00 0.00 C ATOM 628 CD PRO A 43 -13.553 -7.873 8.605 1.00 0.00 C ATOM 0 HA PRO A 43 -12.178 -7.729 5.654 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.955 -7.734 5.596 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.067 -9.163 6.085 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -15.381 -7.070 7.807 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.388 -8.813 7.995 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.732 -7.226 9.464 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -13.267 -8.849 8.996 1.00 0.00 H new ATOM 636 N GLY A 44 -12.140 -5.272 5.273 1.00 0.00 N ATOM 637 CA GLY A 44 -12.267 -3.926 4.746 1.00 0.00 C ATOM 638 C GLY A 44 -11.444 -2.918 5.524 1.00 0.00 C ATOM 639 O GLY A 44 -11.626 -1.710 5.374 1.00 0.00 O ATOM 0 H GLY A 44 -11.202 -5.669 5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.954 -3.917 3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.315 -3.628 4.767 1.00 0.00 H new ATOM 643 N TRP A 45 -10.537 -3.415 6.357 1.00 0.00 N ATOM 644 CA TRP A 45 -9.683 -2.549 7.162 1.00 0.00 C ATOM 645 C TRP A 45 -8.210 -2.808 6.866 1.00 0.00 C ATOM 646 O TRP A 45 -7.815 -3.940 6.586 1.00 0.00 O ATOM 647 CB TRP A 45 -9.962 -2.765 8.651 1.00 0.00 C ATOM 648 CG TRP A 45 -11.165 -2.018 9.144 1.00 0.00 C ATOM 649 CD1 TRP A 45 -12.430 -2.510 9.295 1.00 0.00 C ATOM 650 CD2 TRP A 45 -11.214 -0.646 9.548 1.00 0.00 C ATOM 651 NE1 TRP A 45 -13.263 -1.525 9.769 1.00 0.00 N ATOM 652 CE2 TRP A 45 -12.541 -0.373 9.934 1.00 0.00 C ATOM 653 CE3 TRP A 45 -10.267 0.379 9.625 1.00 0.00 C ATOM 654 CZ2 TRP A 45 -12.942 0.882 10.386 1.00 0.00 C ATOM 655 CZ3 TRP A 45 -10.666 1.623 10.074 1.00 0.00 C ATOM 656 CH2 TRP A 45 -11.993 1.866 10.451 1.00 0.00 C ATOM 0 H TRP A 45 -10.374 -4.413 6.493 1.00 0.00 H new ATOM 0 HA TRP A 45 -9.910 -1.515 6.903 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -10.103 -3.830 8.836 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.089 -2.454 9.226 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -12.731 -3.523 9.075 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -14.258 -1.634 9.966 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.241 0.202 9.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -13.965 1.072 10.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -9.942 2.422 10.135 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.273 2.849 10.800 1.00 0.00 H new ATOM 667 N GLN A 46 -7.404 -1.754 6.930 1.00 0.00 N ATOM 668 CA GLN A 46 -5.974 -1.870 6.668 1.00 0.00 C ATOM 669 C GLN A 46 -5.160 -1.327 7.838 1.00 0.00 C ATOM 670 O GLN A 46 -5.533 -0.330 8.457 1.00 0.00 O ATOM 671 CB GLN A 46 -5.607 -1.121 5.385 1.00 0.00 C ATOM 672 CG GLN A 46 -6.068 -1.823 4.118 1.00 0.00 C ATOM 673 CD GLN A 46 -5.369 -1.306 2.877 1.00 0.00 C ATOM 674 OE1 GLN A 46 -5.779 -0.303 2.292 1.00 0.00 O ATOM 675 NE2 GLN A 46 -4.307 -1.989 2.467 1.00 0.00 N ATOM 0 H GLN A 46 -7.716 -0.811 7.161 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.738 -2.927 6.544 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -6.046 -0.124 5.418 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.525 -0.992 5.346 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.886 -2.893 4.214 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.144 -1.692 4.005 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.002 -2.815 2.982 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.796 -1.688 1.637 1.00 0.00 H new ATOM 684 N PHE A 47 -4.047 -1.989 8.137 1.00 0.00 N ATOM 685 CA PHE A 47 -3.181 -1.574 9.234 1.00 0.00 C ATOM 686 C PHE A 47 -1.755 -1.341 8.743 1.00 0.00 C ATOM 687 O PHE A 47 -1.037 -2.285 8.419 1.00 0.00 O ATOM 688 CB PHE A 47 -3.185 -2.629 10.342 1.00 0.00 C ATOM 689 CG PHE A 47 -2.443 -2.203 11.577 1.00 0.00 C ATOM 690 CD1 PHE A 47 -3.001 -1.287 12.455 1.00 0.00 C ATOM 691 CD2 PHE A 47 -1.189 -2.719 11.860 1.00 0.00 C ATOM 692 CE1 PHE A 47 -2.320 -0.893 13.591 1.00 0.00 C ATOM 693 CE2 PHE A 47 -0.504 -2.330 12.996 1.00 0.00 C ATOM 694 CZ PHE A 47 -1.070 -1.416 13.863 1.00 0.00 C ATOM 0 H PHE A 47 -3.724 -2.816 7.634 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.567 -0.636 9.634 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.216 -2.860 10.609 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.741 -3.548 9.960 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.979 -0.877 12.249 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.741 -3.434 11.185 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.764 -0.177 14.266 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.473 -2.740 13.205 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.537 -1.111 14.751 1.00 0.00 H new ATOM 704 N GLY A 48 -1.353 -0.075 8.690 1.00 0.00 N ATOM 705 CA GLY A 48 -0.016 0.261 8.237 1.00 0.00 C ATOM 706 C GLY A 48 0.432 1.629 8.713 1.00 0.00 C ATOM 707 O GLY A 48 -0.269 2.285 9.484 1.00 0.00 O ATOM 0 H GLY A 48 -1.930 0.724 8.953 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.685 -0.492 8.595 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.013 0.231 7.148 1.00 0.00 H new ATOM 711 N SER A 49 1.603 2.059 8.255 1.00 0.00 N ATOM 712 CA SER A 49 2.146 3.356 8.643 1.00 0.00 C ATOM 713 C SER A 49 2.287 4.271 7.431 1.00 0.00 C ATOM 714 O SER A 49 2.447 3.805 6.303 1.00 0.00 O ATOM 715 CB SER A 49 3.504 3.180 9.326 1.00 0.00 C ATOM 716 OG SER A 49 4.144 4.429 9.516 1.00 0.00 O ATOM 0 H SER A 49 2.194 1.529 7.615 1.00 0.00 H new ATOM 0 HA SER A 49 1.452 3.818 9.345 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.369 2.687 10.289 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.138 2.531 8.721 1.00 0.00 H new ATOM 0 HG SER A 49 5.009 4.290 9.956 1.00 0.00 H new ATOM 722 N ALA A 50 2.228 5.576 7.672 1.00 0.00 N ATOM 723 CA ALA A 50 2.351 6.558 6.602 1.00 0.00 C ATOM 724 C ALA A 50 3.613 7.398 6.771 1.00 0.00 C ATOM 725 O ALA A 50 4.283 7.732 5.795 1.00 0.00 O ATOM 726 CB ALA A 50 1.121 7.451 6.561 1.00 0.00 C ATOM 0 H ALA A 50 2.096 5.978 8.600 1.00 0.00 H new ATOM 0 HA ALA A 50 2.427 6.021 5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.227 8.179 5.757 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.235 6.842 6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.018 7.973 7.512 1.00 0.00 H new ATOM 732 N GLY A 51 3.930 7.738 8.017 1.00 0.00 N ATOM 733 CA GLY A 51 5.109 8.537 8.290 1.00 0.00 C ATOM 734 C GLY A 51 5.466 8.560 9.763 1.00 0.00 C ATOM 735 O GLY A 51 5.650 9.626 10.349 1.00 0.00 O ATOM 0 H GLY A 51 3.391 7.474 8.842 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.951 8.142 7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.941 9.557 7.944 1.00 0.00 H new ATOM 739 N GLY A 52 5.563 7.378 10.365 1.00 0.00 N ATOM 740 CA GLY A 52 5.897 7.289 11.775 1.00 0.00 C ATOM 741 C GLY A 52 4.716 6.866 12.625 1.00 0.00 C ATOM 742 O GLY A 52 4.871 6.108 13.582 1.00 0.00 O ATOM 0 H GLY A 52 5.416 6.481 9.902 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.710 6.576 11.908 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.261 8.256 12.121 1.00 0.00 H new ATOM 746 N ARG A 53 3.532 7.360 12.278 1.00 0.00 N ATOM 747 CA ARG A 53 2.320 7.031 13.019 1.00 0.00 C ATOM 748 C ARG A 53 1.528 5.937 12.308 1.00 0.00 C ATOM 749 O ARG A 53 1.401 5.945 11.084 1.00 0.00 O ATOM 750 CB ARG A 53 1.448 8.277 13.190 1.00 0.00 C ATOM 751 CG ARG A 53 0.891 8.815 11.883 1.00 0.00 C ATOM 752 CD ARG A 53 0.396 10.245 12.035 1.00 0.00 C ATOM 753 NE ARG A 53 1.443 11.136 12.528 1.00 0.00 N ATOM 754 CZ ARG A 53 1.203 12.337 13.043 1.00 0.00 C ATOM 755 NH1 ARG A 53 -0.041 12.788 13.131 1.00 0.00 N ATOM 756 NH2 ARG A 53 2.208 13.090 13.470 1.00 0.00 N ATOM 0 H ARG A 53 3.386 7.989 11.489 1.00 0.00 H new ATOM 0 HA ARG A 53 2.614 6.663 14.002 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.620 8.041 13.858 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.036 9.058 13.673 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.662 8.776 11.114 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.072 8.179 11.546 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.034 10.608 11.073 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.450 10.265 12.722 1.00 0.00 H new ATOM 0 HE ARG A 53 2.411 10.819 12.474 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.817 12.212 12.803 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.222 13.710 13.527 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.166 12.747 13.403 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.022 14.012 13.865 1.00 0.00 H new ATOM 770 N SER A 54 0.999 4.998 13.085 1.00 0.00 N ATOM 771 CA SER A 54 0.223 3.894 12.530 1.00 0.00 C ATOM 772 C SER A 54 -1.187 3.875 13.111 1.00 0.00 C ATOM 773 O SER A 54 -1.426 4.384 14.206 1.00 0.00 O ATOM 774 CB SER A 54 0.921 2.562 12.809 1.00 0.00 C ATOM 775 OG SER A 54 0.943 2.279 14.197 1.00 0.00 O ATOM 0 H SER A 54 1.093 4.979 14.100 1.00 0.00 H new ATOM 0 HA SER A 54 0.150 4.039 11.452 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.406 1.760 12.279 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.941 2.595 12.425 1.00 0.00 H new ATOM 0 HG SER A 54 1.393 1.422 14.349 1.00 0.00 H new ATOM 781 N GLY A 55 -2.118 3.283 12.370 1.00 0.00 N ATOM 782 CA GLY A 55 -3.494 3.208 12.827 1.00 0.00 C ATOM 783 C GLY A 55 -4.382 2.440 11.869 1.00 0.00 C ATOM 784 O GLY A 55 -3.922 1.964 10.830 1.00 0.00 O ATOM 0 H GLY A 55 -1.944 2.854 11.461 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.523 2.730 13.806 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.887 4.217 12.953 1.00 0.00 H new ATOM 788 N LEU A 56 -5.658 2.316 12.218 1.00 0.00 N ATOM 789 CA LEU A 56 -6.614 1.598 11.381 1.00 0.00 C ATOM 790 C LEU A 56 -7.255 2.534 10.361 1.00 0.00 C ATOM 791 O LEU A 56 -7.746 3.607 10.711 1.00 0.00 O ATOM 792 CB LEU A 56 -7.695 0.952 12.248 1.00 0.00 C ATOM 793 CG LEU A 56 -7.335 -0.394 12.878 1.00 0.00 C ATOM 794 CD1 LEU A 56 -6.952 -1.401 11.804 1.00 0.00 C ATOM 795 CD2 LEU A 56 -6.204 -0.228 13.883 1.00 0.00 C ATOM 0 H LEU A 56 -6.055 2.703 13.074 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.075 0.819 10.842 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.955 1.646 13.047 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.589 0.818 11.639 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.211 -0.772 13.406 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.699 -2.353 12.271 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.791 -1.543 11.123 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.091 -1.030 11.248 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.961 -1.196 14.321 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.325 0.172 13.378 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.515 0.459 14.670 1.00 0.00 H new ATOM 807 N PHE A 57 -7.250 2.118 9.099 1.00 0.00 N ATOM 808 CA PHE A 57 -7.832 2.918 8.028 1.00 0.00 C ATOM 809 C PHE A 57 -8.570 2.033 7.028 1.00 0.00 C ATOM 810 O PHE A 57 -8.206 0.881 6.794 1.00 0.00 O ATOM 811 CB PHE A 57 -6.743 3.720 7.312 1.00 0.00 C ATOM 812 CG PHE A 57 -5.785 2.865 6.532 1.00 0.00 C ATOM 813 CD1 PHE A 57 -4.678 2.304 7.148 1.00 0.00 C ATOM 814 CD2 PHE A 57 -5.991 2.622 5.184 1.00 0.00 C ATOM 815 CE1 PHE A 57 -3.794 1.519 6.433 1.00 0.00 C ATOM 816 CE2 PHE A 57 -5.111 1.837 4.464 1.00 0.00 C ATOM 817 CZ PHE A 57 -4.012 1.283 5.090 1.00 0.00 C ATOM 0 H PHE A 57 -6.849 1.231 8.793 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.549 3.609 8.472 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.214 4.434 6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.185 4.298 8.048 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.504 2.482 8.199 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.850 3.051 4.690 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.933 1.090 6.924 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.282 1.657 3.413 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.324 0.666 4.530 1.00 0.00 H new ATOM 827 N PRO A 58 -9.633 2.584 6.423 1.00 0.00 N ATOM 828 CA PRO A 58 -10.445 1.863 5.438 1.00 0.00 C ATOM 829 C PRO A 58 -9.697 1.630 4.129 1.00 0.00 C ATOM 830 O PRO A 58 -8.967 2.502 3.658 1.00 0.00 O ATOM 831 CB PRO A 58 -11.639 2.793 5.214 1.00 0.00 C ATOM 832 CG PRO A 58 -11.131 4.151 5.555 1.00 0.00 C ATOM 833 CD PRO A 58 -10.124 3.952 6.654 1.00 0.00 C ATOM 0 HA PRO A 58 -10.722 0.868 5.787 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.987 2.748 4.182 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.482 2.515 5.847 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.673 4.626 4.687 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.943 4.801 5.882 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.318 4.683 6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.579 4.055 7.639 1.00 0.00 H new ATOM 841 N ALA A 59 -9.886 0.451 3.547 1.00 0.00 N ATOM 842 CA ALA A 59 -9.231 0.106 2.291 1.00 0.00 C ATOM 843 C ALA A 59 -10.090 0.505 1.097 1.00 0.00 C ATOM 844 O ALA A 59 -10.107 -0.182 0.075 1.00 0.00 O ATOM 845 CB ALA A 59 -8.923 -1.384 2.248 1.00 0.00 C ATOM 0 H ALA A 59 -10.487 -0.281 3.925 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.295 0.661 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.434 -1.627 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.263 -1.643 3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.851 -1.950 2.332 1.00 0.00 H new ATOM 851 N ASP A 60 -10.803 1.618 1.232 1.00 0.00 N ATOM 852 CA ASP A 60 -11.665 2.108 0.163 1.00 0.00 C ATOM 853 C ASP A 60 -11.308 3.544 -0.208 1.00 0.00 C ATOM 854 O ASP A 60 -11.966 4.161 -1.046 1.00 0.00 O ATOM 855 CB ASP A 60 -13.133 2.028 0.585 1.00 0.00 C ATOM 856 CG ASP A 60 -14.078 2.042 -0.601 1.00 0.00 C ATOM 857 OD1 ASP A 60 -14.336 3.139 -1.140 1.00 0.00 O ATOM 858 OD2 ASP A 60 -14.560 0.957 -0.989 1.00 0.00 O ATOM 0 H ASP A 60 -10.801 2.198 2.071 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.511 1.476 -0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.293 1.118 1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.366 2.867 1.241 1.00 0.00 H new ATOM 863 N ILE A 61 -10.263 4.070 0.423 1.00 0.00 N ATOM 864 CA ILE A 61 -9.819 5.433 0.159 1.00 0.00 C ATOM 865 C ILE A 61 -8.338 5.468 -0.205 1.00 0.00 C ATOM 866 O ILE A 61 -7.676 6.495 -0.057 1.00 0.00 O ATOM 867 CB ILE A 61 -10.059 6.348 1.374 1.00 0.00 C ATOM 868 CG1 ILE A 61 -9.049 6.038 2.481 1.00 0.00 C ATOM 869 CG2 ILE A 61 -11.482 6.185 1.887 1.00 0.00 C ATOM 870 CD1 ILE A 61 -9.208 6.913 3.706 1.00 0.00 C ATOM 0 H ILE A 61 -9.709 3.573 1.120 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.406 5.799 -0.683 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.922 7.384 1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.153 4.993 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.040 6.159 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.636 6.838 2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.186 6.451 1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.645 5.149 2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.460 6.638 4.449 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.075 7.958 3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.204 6.774 4.126 1.00 0.00 H new ATOM 882 N VAL A 62 -7.825 4.339 -0.683 1.00 0.00 N ATOM 883 CA VAL A 62 -6.423 4.240 -1.072 1.00 0.00 C ATOM 884 C VAL A 62 -6.260 3.401 -2.334 1.00 0.00 C ATOM 885 O VAL A 62 -7.028 2.470 -2.574 1.00 0.00 O ATOM 886 CB VAL A 62 -5.571 3.626 0.054 1.00 0.00 C ATOM 887 CG1 VAL A 62 -5.541 4.547 1.264 1.00 0.00 C ATOM 888 CG2 VAL A 62 -6.100 2.251 0.433 1.00 0.00 C ATOM 0 H VAL A 62 -8.359 3.480 -0.810 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.076 5.255 -1.268 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.550 3.510 -0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.934 4.096 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.111 5.508 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.556 4.698 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.486 1.832 1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.130 2.340 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.063 1.595 -0.436 1.00 0.00 H new ATOM 898 N GLN A 63 -5.255 3.737 -3.136 1.00 0.00 N ATOM 899 CA GLN A 63 -4.992 3.013 -4.374 1.00 0.00 C ATOM 900 C GLN A 63 -3.580 2.436 -4.377 1.00 0.00 C ATOM 901 O GLN A 63 -2.665 2.966 -3.747 1.00 0.00 O ATOM 902 CB GLN A 63 -5.181 3.936 -5.579 1.00 0.00 C ATOM 903 CG GLN A 63 -4.067 4.956 -5.745 1.00 0.00 C ATOM 904 CD GLN A 63 -3.849 5.352 -7.192 1.00 0.00 C ATOM 905 OE1 GLN A 63 -4.281 4.655 -8.111 1.00 0.00 O ATOM 906 NE2 GLN A 63 -3.176 6.477 -7.404 1.00 0.00 N ATOM 0 H GLN A 63 -4.610 4.505 -2.951 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.702 2.189 -4.442 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.246 3.331 -6.483 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.131 4.461 -5.478 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.304 5.845 -5.161 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.141 4.546 -5.341 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.836 7.024 -6.613 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.999 6.794 -8.357 1.00 0.00 H new ATOM 915 N PRO A 64 -3.397 1.323 -5.104 1.00 0.00 N ATOM 916 CA PRO A 64 -2.099 0.650 -5.207 1.00 0.00 C ATOM 917 C PRO A 64 -1.088 1.460 -6.012 1.00 0.00 C ATOM 918 O PRO A 64 -1.444 2.119 -6.989 1.00 0.00 O ATOM 919 CB PRO A 64 -2.434 -0.657 -5.929 1.00 0.00 C ATOM 920 CG PRO A 64 -3.670 -0.357 -6.703 1.00 0.00 C ATOM 921 CD PRO A 64 -4.443 0.637 -5.880 1.00 0.00 C ATOM 0 HA PRO A 64 -1.635 0.507 -4.231 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.621 -0.966 -6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.598 -1.469 -5.221 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.427 0.053 -7.683 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.254 -1.262 -6.872 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.999 1.333 -6.508 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.167 0.145 -5.231 1.00 0.00 H new ATOM 929 N ALA A 65 0.173 1.405 -5.596 1.00 0.00 N ATOM 930 CA ALA A 65 1.235 2.132 -6.281 1.00 0.00 C ATOM 931 C ALA A 65 2.525 1.319 -6.312 1.00 0.00 C ATOM 932 O ALA A 65 2.651 0.311 -5.617 1.00 0.00 O ATOM 933 CB ALA A 65 1.473 3.476 -5.610 1.00 0.00 C ATOM 0 H ALA A 65 0.484 0.865 -4.789 1.00 0.00 H new ATOM 0 HA ALA A 65 0.919 2.303 -7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.269 4.008 -6.132 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.558 4.067 -5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.763 3.318 -4.571 1.00 0.00 H new ATOM 939 N ALA A 66 3.479 1.762 -7.124 1.00 0.00 N ATOM 940 CA ALA A 66 4.759 1.076 -7.244 1.00 0.00 C ATOM 941 C ALA A 66 5.530 1.117 -5.929 1.00 0.00 C ATOM 942 O ALA A 66 5.341 2.021 -5.116 1.00 0.00 O ATOM 943 CB ALA A 66 5.586 1.693 -8.362 1.00 0.00 C ATOM 0 H ALA A 66 3.389 2.593 -7.709 1.00 0.00 H new ATOM 0 HA ALA A 66 4.562 0.032 -7.487 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.539 1.171 -8.440 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.046 1.606 -9.305 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.766 2.746 -8.143 1.00 0.00 H new ATOM 949 N ALA A 67 6.400 0.133 -5.727 1.00 0.00 N ATOM 950 CA ALA A 67 7.200 0.058 -4.511 1.00 0.00 C ATOM 951 C ALA A 67 8.308 1.106 -4.518 1.00 0.00 C ATOM 952 O ALA A 67 8.790 1.527 -5.570 1.00 0.00 O ATOM 953 CB ALA A 67 7.789 -1.336 -4.352 1.00 0.00 C ATOM 0 H ALA A 67 6.569 -0.623 -6.390 1.00 0.00 H new ATOM 0 HA ALA A 67 6.547 0.263 -3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.384 -1.378 -3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.983 -2.067 -4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.423 -1.563 -5.209 1.00 0.00 H new