USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 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 130:sc= -0.069 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 147:sc= 0.046 USER MOD Single : A 19 THR OG1 : rot 115:sc= 0.303 USER MOD Single : A 21 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.1!) USER MOD Single : A 22 CYS SG : rot 180:sc= -0.252 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 13:sc= 0.96 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0276 USER MOD Single : A 46 GLN : amide:sc= -0.838 K(o=-0.84,f=-4.4!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -5.56! C(o=-5.6!,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 9 3.932 -4.296 -2.171 1.00 0.00 N ATOM 78 CA GLY A 9 2.600 -3.979 -1.690 1.00 0.00 C ATOM 79 C GLY A 9 2.525 -2.603 -1.057 1.00 0.00 C ATOM 80 O GLY A 9 2.495 -2.477 0.167 1.00 0.00 O ATOM 0 HA2 GLY A 9 1.895 -4.033 -2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.292 -4.728 -0.961 1.00 0.00 H new ATOM 84 N TYR A 10 2.497 -1.570 -1.892 1.00 0.00 N ATOM 85 CA TYR A 10 2.430 -0.197 -1.406 1.00 0.00 C ATOM 86 C TYR A 10 1.218 0.527 -1.986 1.00 0.00 C ATOM 87 O TYR A 10 0.956 0.458 -3.187 1.00 0.00 O ATOM 88 CB TYR A 10 3.710 0.557 -1.768 1.00 0.00 C ATOM 89 CG TYR A 10 4.794 0.449 -0.719 1.00 0.00 C ATOM 90 CD1 TYR A 10 5.661 -0.636 -0.698 1.00 0.00 C ATOM 91 CD2 TYR A 10 4.950 1.431 0.251 1.00 0.00 C ATOM 92 CE1 TYR A 10 6.652 -0.740 0.259 1.00 0.00 C ATOM 93 CE2 TYR A 10 5.939 1.337 1.210 1.00 0.00 C ATOM 94 CZ TYR A 10 6.787 0.249 1.210 1.00 0.00 C ATOM 95 OH TYR A 10 7.773 0.151 2.165 1.00 0.00 O ATOM 0 H TYR A 10 2.520 -1.657 -2.908 1.00 0.00 H new ATOM 0 HA TYR A 10 2.328 -0.226 -0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.092 0.174 -2.714 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.470 1.609 -1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.559 -1.412 -1.443 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.286 2.283 0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.317 -1.591 0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.048 2.111 1.956 1.00 0.00 H new ATOM 0 HH TYR A 10 8.277 0.991 2.202 1.00 0.00 H new ATOM 105 N VAL A 11 0.483 1.222 -1.124 1.00 0.00 N ATOM 106 CA VAL A 11 -0.699 1.961 -1.548 1.00 0.00 C ATOM 107 C VAL A 11 -0.622 3.419 -1.112 1.00 0.00 C ATOM 108 O VAL A 11 -0.073 3.733 -0.055 1.00 0.00 O ATOM 109 CB VAL A 11 -1.987 1.333 -0.981 1.00 0.00 C ATOM 110 CG1 VAL A 11 -2.112 -0.118 -1.419 1.00 0.00 C ATOM 111 CG2 VAL A 11 -2.009 1.445 0.536 1.00 0.00 C ATOM 0 H VAL A 11 0.686 1.288 -0.127 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.729 1.912 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.843 1.881 -1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.027 -0.544 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.144 -0.168 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.254 -0.683 -1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.925 0.997 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.147 0.923 0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.970 2.496 0.824 1.00 0.00 H new ATOM 121 N ILE A 12 -1.176 4.306 -1.931 1.00 0.00 N ATOM 122 CA ILE A 12 -1.171 5.732 -1.629 1.00 0.00 C ATOM 123 C ILE A 12 -2.550 6.203 -1.180 1.00 0.00 C ATOM 124 O ILE A 12 -3.567 5.609 -1.537 1.00 0.00 O ATOM 125 CB ILE A 12 -0.728 6.565 -2.846 1.00 0.00 C ATOM 126 CG1 ILE A 12 -0.411 8.000 -2.422 1.00 0.00 C ATOM 127 CG2 ILE A 12 -1.806 6.549 -3.919 1.00 0.00 C ATOM 128 CD1 ILE A 12 0.392 8.770 -3.447 1.00 0.00 C ATOM 0 H ILE A 12 -1.634 4.062 -2.809 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.457 5.880 -0.819 1.00 0.00 H new ATOM 0 HB ILE A 12 0.177 6.122 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.345 8.529 -2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.140 7.979 -1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.478 7.142 -4.773 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.987 5.523 -4.238 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.727 6.971 -3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.580 9.779 -3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.342 8.264 -3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.166 8.823 -4.382 1.00 0.00 H new ATOM 140 N ALA A 13 -2.577 7.277 -0.397 1.00 0.00 N ATOM 141 CA ALA A 13 -3.831 7.831 0.097 1.00 0.00 C ATOM 142 C ALA A 13 -4.473 8.747 -0.939 1.00 0.00 C ATOM 143 O ALA A 13 -3.981 9.845 -1.202 1.00 0.00 O ATOM 144 CB ALA A 13 -3.599 8.584 1.399 1.00 0.00 C ATOM 0 H ALA A 13 -1.744 7.780 -0.091 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.515 7.004 0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.544 8.992 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.193 7.902 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.894 9.397 1.228 1.00 0.00 H new ATOM 150 N LEU A 14 -5.574 8.289 -1.525 1.00 0.00 N ATOM 151 CA LEU A 14 -6.284 9.068 -2.535 1.00 0.00 C ATOM 152 C LEU A 14 -6.867 10.341 -1.930 1.00 0.00 C ATOM 153 O LEU A 14 -6.918 11.383 -2.583 1.00 0.00 O ATOM 154 CB LEU A 14 -7.399 8.230 -3.162 1.00 0.00 C ATOM 155 CG LEU A 14 -6.953 6.986 -3.931 1.00 0.00 C ATOM 156 CD1 LEU A 14 -8.141 6.080 -4.216 1.00 0.00 C ATOM 157 CD2 LEU A 14 -6.257 7.380 -5.226 1.00 0.00 C ATOM 0 H LEU A 14 -5.995 7.383 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.571 9.350 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.081 7.918 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.967 8.867 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.243 6.436 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.804 5.200 -4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.596 5.770 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.875 6.620 -4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.947 6.482 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.944 7.953 -5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.381 7.988 -4.998 1.00 0.00 H new ATOM 169 N ARG A 15 -7.303 10.249 -0.678 1.00 0.00 N ATOM 170 CA ARG A 15 -7.882 11.393 0.016 1.00 0.00 C ATOM 171 C ARG A 15 -7.516 11.373 1.497 1.00 0.00 C ATOM 172 O ARG A 15 -7.243 10.316 2.065 1.00 0.00 O ATOM 173 CB ARG A 15 -9.403 11.398 -0.144 1.00 0.00 C ATOM 174 CG ARG A 15 -10.051 10.054 0.150 1.00 0.00 C ATOM 175 CD ARG A 15 -11.543 10.199 0.405 1.00 0.00 C ATOM 176 NE ARG A 15 -12.311 10.218 -0.836 1.00 0.00 N ATOM 177 CZ ARG A 15 -13.639 10.213 -0.879 1.00 0.00 C ATOM 178 NH1 ARG A 15 -14.342 10.190 0.245 1.00 0.00 N ATOM 179 NH2 ARG A 15 -14.266 10.232 -2.048 1.00 0.00 N ATOM 0 H ARG A 15 -7.266 9.394 -0.123 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.474 12.300 -0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.827 12.150 0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.652 11.697 -1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.888 9.379 -0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.574 9.601 1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.886 9.375 1.031 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.728 11.119 0.960 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.800 10.236 -1.719 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.863 10.176 1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.361 10.186 0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.729 10.250 -2.915 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.285 10.228 -2.080 1.00 0.00 H new ATOM 193 N SER A 16 -7.511 12.550 2.116 1.00 0.00 N ATOM 194 CA SER A 16 -7.174 12.668 3.529 1.00 0.00 C ATOM 195 C SER A 16 -8.143 11.862 4.388 1.00 0.00 C ATOM 196 O SER A 16 -9.316 11.711 4.046 1.00 0.00 O ATOM 197 CB SER A 16 -7.194 14.136 3.959 1.00 0.00 C ATOM 198 OG SER A 16 -8.456 14.727 3.699 1.00 0.00 O ATOM 0 H SER A 16 -7.737 13.434 1.661 1.00 0.00 H new ATOM 0 HA SER A 16 -6.170 12.268 3.672 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.967 14.210 5.022 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.416 14.684 3.428 1.00 0.00 H new ATOM 0 HG SER A 16 -8.443 15.664 3.984 1.00 0.00 H new ATOM 204 N TYR A 17 -7.645 11.346 5.506 1.00 0.00 N ATOM 205 CA TYR A 17 -8.465 10.553 6.414 1.00 0.00 C ATOM 206 C TYR A 17 -8.249 10.985 7.861 1.00 0.00 C ATOM 207 O TYR A 17 -7.652 10.258 8.656 1.00 0.00 O ATOM 208 CB TYR A 17 -8.140 9.066 6.261 1.00 0.00 C ATOM 209 CG TYR A 17 -9.157 8.154 6.910 1.00 0.00 C ATOM 210 CD1 TYR A 17 -10.396 7.932 6.320 1.00 0.00 C ATOM 211 CD2 TYR A 17 -8.880 7.516 8.112 1.00 0.00 C ATOM 212 CE1 TYR A 17 -11.328 7.101 6.910 1.00 0.00 C ATOM 213 CE2 TYR A 17 -9.806 6.681 8.708 1.00 0.00 C ATOM 214 CZ TYR A 17 -11.029 6.477 8.103 1.00 0.00 C ATOM 215 OH TYR A 17 -11.954 5.648 8.694 1.00 0.00 O ATOM 0 H TYR A 17 -6.677 11.463 5.805 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.511 10.718 6.156 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -8.073 8.825 5.200 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.160 8.870 6.695 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.634 8.417 5.385 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.924 7.675 8.589 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.287 6.941 6.439 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.574 6.191 9.642 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.491 4.923 9.164 1.00 0.00 H new ATOM 225 N ILE A 18 -8.741 12.174 8.196 1.00 0.00 N ATOM 226 CA ILE A 18 -8.604 12.703 9.547 1.00 0.00 C ATOM 227 C ILE A 18 -9.462 11.919 10.534 1.00 0.00 C ATOM 228 O ILE A 18 -10.666 11.753 10.333 1.00 0.00 O ATOM 229 CB ILE A 18 -8.997 14.191 9.611 1.00 0.00 C ATOM 230 CG1 ILE A 18 -8.136 15.010 8.648 1.00 0.00 C ATOM 231 CG2 ILE A 18 -8.857 14.715 11.033 1.00 0.00 C ATOM 232 CD1 ILE A 18 -6.690 15.123 9.078 1.00 0.00 C ATOM 0 H ILE A 18 -9.238 12.788 7.550 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.554 12.601 9.821 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.040 14.290 9.309 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.178 14.554 7.659 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.559 16.010 8.556 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.138 15.768 11.062 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.509 14.147 11.696 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.823 14.606 11.361 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.139 15.717 8.349 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.637 15.606 10.054 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.251 14.128 9.142 1.00 0.00 H new ATOM 244 N THR A 19 -8.836 11.440 11.605 1.00 0.00 N ATOM 245 CA THR A 19 -9.542 10.674 12.624 1.00 0.00 C ATOM 246 C THR A 19 -9.424 11.339 13.991 1.00 0.00 C ATOM 247 O THR A 19 -8.328 11.687 14.430 1.00 0.00 O ATOM 248 CB THR A 19 -9.003 9.234 12.718 1.00 0.00 C ATOM 249 OG1 THR A 19 -7.927 9.174 13.661 1.00 0.00 O ATOM 250 CG2 THR A 19 -8.522 8.746 11.360 1.00 0.00 C ATOM 0 H THR A 19 -7.841 11.569 11.789 1.00 0.00 H new ATOM 0 HA THR A 19 -10.590 10.643 12.327 1.00 0.00 H new ATOM 0 HB THR A 19 -9.814 8.587 13.052 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.187 8.609 14.418 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.146 7.727 11.452 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.351 8.765 10.652 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.724 9.396 11.001 1.00 0.00 H new ATOM 258 N ASP A 20 -10.559 11.511 14.660 1.00 0.00 N ATOM 259 CA ASP A 20 -10.582 12.132 15.979 1.00 0.00 C ATOM 260 C ASP A 20 -10.052 11.174 17.040 1.00 0.00 C ATOM 261 O ASP A 20 -9.908 11.541 18.206 1.00 0.00 O ATOM 262 CB ASP A 20 -12.004 12.571 16.334 1.00 0.00 C ATOM 263 CG ASP A 20 -12.590 13.520 15.307 1.00 0.00 C ATOM 264 OD1 ASP A 20 -12.042 14.630 15.144 1.00 0.00 O ATOM 265 OD2 ASP A 20 -13.597 13.152 14.667 1.00 0.00 O ATOM 0 H ASP A 20 -11.475 11.229 14.310 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.935 13.009 15.952 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -12.642 11.692 16.418 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.999 13.055 17.311 1.00 0.00 H new ATOM 270 N ASN A 21 -9.764 9.943 16.629 1.00 0.00 N ATOM 271 CA ASN A 21 -9.252 8.931 17.546 1.00 0.00 C ATOM 272 C ASN A 21 -7.870 8.452 17.109 1.00 0.00 C ATOM 273 O ASN A 21 -7.740 7.695 16.147 1.00 0.00 O ATOM 274 CB ASN A 21 -10.215 7.745 17.620 1.00 0.00 C ATOM 275 CG ASN A 21 -10.053 6.948 18.900 1.00 0.00 C ATOM 276 OD1 ASN A 21 -9.932 5.723 18.870 1.00 0.00 O ATOM 277 ND2 ASN A 21 -10.052 7.641 20.032 1.00 0.00 N ATOM 0 H ASN A 21 -9.876 9.622 15.667 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.166 9.382 18.535 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.240 8.108 17.548 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.048 7.091 16.764 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.948 7.159 20.925 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.155 8.656 20.009 1.00 0.00 H new ATOM 284 N CYS A 22 -6.843 8.898 17.824 1.00 0.00 N ATOM 285 CA CYS A 22 -5.471 8.515 17.511 1.00 0.00 C ATOM 286 C CYS A 22 -5.402 7.060 17.057 1.00 0.00 C ATOM 287 O CYS A 22 -4.616 6.711 16.176 1.00 0.00 O ATOM 288 CB CYS A 22 -4.570 8.724 18.729 1.00 0.00 C ATOM 289 SG CYS A 22 -5.049 7.753 20.177 1.00 0.00 S ATOM 0 H CYS A 22 -6.934 9.525 18.624 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.121 9.148 16.696 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -3.545 8.470 18.457 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.577 9.781 18.995 1.00 0.00 H new ATOM 0 HG CYS A 22 -4.226 7.996 21.154 1.00 0.00 H new ATOM 295 N SER A 23 -6.229 6.216 17.665 1.00 0.00 N ATOM 296 CA SER A 23 -6.259 4.798 17.327 1.00 0.00 C ATOM 297 C SER A 23 -6.108 4.595 15.823 1.00 0.00 C ATOM 298 O SER A 23 -5.197 3.903 15.366 1.00 0.00 O ATOM 299 CB SER A 23 -7.565 4.164 17.811 1.00 0.00 C ATOM 300 OG SER A 23 -7.380 2.795 18.128 1.00 0.00 O ATOM 0 H SER A 23 -6.887 6.490 18.394 1.00 0.00 H new ATOM 0 HA SER A 23 -5.421 4.313 17.827 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.929 4.698 18.689 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.328 4.262 17.039 1.00 0.00 H new ATOM 0 HG SER A 23 -8.228 2.413 18.436 1.00 0.00 H new ATOM 306 N LEU A 24 -7.008 5.202 15.057 1.00 0.00 N ATOM 307 CA LEU A 24 -6.977 5.088 13.603 1.00 0.00 C ATOM 308 C LEU A 24 -5.726 5.748 13.032 1.00 0.00 C ATOM 309 O LEU A 24 -4.876 6.241 13.776 1.00 0.00 O ATOM 310 CB LEU A 24 -8.227 5.727 12.995 1.00 0.00 C ATOM 311 CG LEU A 24 -9.565 5.134 13.436 1.00 0.00 C ATOM 312 CD1 LEU A 24 -9.427 3.643 13.702 1.00 0.00 C ATOM 313 CD2 LEU A 24 -10.086 5.852 14.672 1.00 0.00 C ATOM 0 H LEU A 24 -7.768 5.778 15.419 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.956 4.029 13.346 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.224 6.789 13.241 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.159 5.651 11.910 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.285 5.273 12.629 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.390 3.239 14.015 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.100 3.140 12.792 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.692 3.481 14.490 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.039 5.416 14.971 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.367 5.746 15.485 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.225 6.909 14.447 1.00 0.00 H new ATOM 325 N LEU A 25 -5.619 5.757 11.708 1.00 0.00 N ATOM 326 CA LEU A 25 -4.473 6.359 11.037 1.00 0.00 C ATOM 327 C LEU A 25 -4.869 7.657 10.341 1.00 0.00 C ATOM 328 O LEU A 25 -5.797 7.682 9.532 1.00 0.00 O ATOM 329 CB LEU A 25 -3.882 5.382 10.019 1.00 0.00 C ATOM 330 CG LEU A 25 -2.749 5.924 9.147 1.00 0.00 C ATOM 331 CD1 LEU A 25 -1.582 6.378 10.009 1.00 0.00 C ATOM 332 CD2 LEU A 25 -2.297 4.872 8.144 1.00 0.00 C ATOM 0 H LEU A 25 -6.312 5.354 11.078 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.721 6.588 11.792 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.514 4.508 10.556 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.685 5.040 9.366 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.123 6.786 8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.785 6.761 9.371 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.914 7.165 10.686 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.208 5.534 10.589 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.490 5.276 7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.942 3.990 8.677 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.135 4.596 7.504 1.00 0.00 H new ATOM 344 N SER A 26 -4.159 8.734 10.661 1.00 0.00 N ATOM 345 CA SER A 26 -4.437 10.037 10.068 1.00 0.00 C ATOM 346 C SER A 26 -3.396 10.385 9.008 1.00 0.00 C ATOM 347 O SER A 26 -2.207 10.505 9.304 1.00 0.00 O ATOM 348 CB SER A 26 -4.461 11.119 11.150 1.00 0.00 C ATOM 349 OG SER A 26 -3.152 11.416 11.603 1.00 0.00 O ATOM 0 H SER A 26 -3.387 8.730 11.328 1.00 0.00 H new ATOM 0 HA SER A 26 -5.415 9.990 9.590 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.926 12.022 10.755 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.073 10.786 11.988 1.00 0.00 H new ATOM 0 HG SER A 26 -2.497 11.027 10.987 1.00 0.00 H new ATOM 355 N PHE A 27 -3.853 10.547 7.771 1.00 0.00 N ATOM 356 CA PHE A 27 -2.963 10.881 6.665 1.00 0.00 C ATOM 357 C PHE A 27 -3.622 11.880 5.718 1.00 0.00 C ATOM 358 O PHE A 27 -4.805 12.191 5.852 1.00 0.00 O ATOM 359 CB PHE A 27 -2.571 9.616 5.898 1.00 0.00 C ATOM 360 CG PHE A 27 -3.747 8.773 5.493 1.00 0.00 C ATOM 361 CD1 PHE A 27 -4.729 9.284 4.660 1.00 0.00 C ATOM 362 CD2 PHE A 27 -3.869 7.469 5.944 1.00 0.00 C ATOM 363 CE1 PHE A 27 -5.812 8.511 4.286 1.00 0.00 C ATOM 364 CE2 PHE A 27 -4.950 6.690 5.574 1.00 0.00 C ATOM 365 CZ PHE A 27 -5.922 7.212 4.743 1.00 0.00 C ATOM 0 H PHE A 27 -4.834 10.452 7.509 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.065 11.339 7.080 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.013 9.900 5.006 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.901 9.018 6.516 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.647 10.298 4.299 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.111 7.056 6.592 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.571 8.922 3.637 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.034 5.675 5.934 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.767 6.606 4.451 1.00 0.00 H new ATOM 375 N HIS A 28 -2.846 12.379 4.761 1.00 0.00 N ATOM 376 CA HIS A 28 -3.354 13.343 3.791 1.00 0.00 C ATOM 377 C HIS A 28 -3.254 12.790 2.373 1.00 0.00 C ATOM 378 O HIS A 28 -2.669 11.731 2.149 1.00 0.00 O ATOM 379 CB HIS A 28 -2.579 14.658 3.894 1.00 0.00 C ATOM 380 CG HIS A 28 -3.034 15.534 5.020 1.00 0.00 C ATOM 381 ND1 HIS A 28 -3.930 16.569 4.853 1.00 0.00 N ATOM 382 CD2 HIS A 28 -2.713 15.525 6.335 1.00 0.00 C ATOM 383 CE1 HIS A 28 -4.139 17.159 6.017 1.00 0.00 C ATOM 384 NE2 HIS A 28 -3.413 16.544 6.932 1.00 0.00 N ATOM 0 H HIS A 28 -1.864 12.132 4.636 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.404 13.530 4.016 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.519 14.437 4.022 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.680 15.204 2.956 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.033 14.843 6.824 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -4.793 18.001 6.190 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.378 16.787 7.922 1.00 0.00 H new ATOM 393 N ARG A 29 -3.830 13.515 1.419 1.00 0.00 N ATOM 394 CA ARG A 29 -3.809 13.096 0.023 1.00 0.00 C ATOM 395 C ARG A 29 -2.375 12.971 -0.485 1.00 0.00 C ATOM 396 O ARG A 29 -1.648 13.959 -0.570 1.00 0.00 O ATOM 397 CB ARG A 29 -4.583 14.091 -0.843 1.00 0.00 C ATOM 398 CG ARG A 29 -4.529 13.777 -2.329 1.00 0.00 C ATOM 399 CD ARG A 29 -5.663 14.453 -3.083 1.00 0.00 C ATOM 400 NE ARG A 29 -5.304 14.741 -4.469 1.00 0.00 N ATOM 401 CZ ARG A 29 -6.167 15.189 -5.374 1.00 0.00 C ATOM 402 NH1 ARG A 29 -7.433 15.400 -5.040 1.00 0.00 N ATOM 403 NH2 ARG A 29 -5.764 15.428 -6.615 1.00 0.00 N ATOM 0 H ARG A 29 -4.317 14.395 1.588 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.287 12.119 -0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.624 14.106 -0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.183 15.091 -0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.573 14.105 -2.737 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.585 12.698 -2.476 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.544 13.812 -3.063 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.932 15.381 -2.578 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.338 14.590 -4.758 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.746 15.218 -4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.094 15.744 -5.737 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.791 15.268 -6.875 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.427 15.772 -7.309 1.00 0.00 H new ATOM 417 N GLY A 30 -1.976 11.748 -0.821 1.00 0.00 N ATOM 418 CA GLY A 30 -0.631 11.516 -1.315 1.00 0.00 C ATOM 419 C GLY A 30 0.220 10.733 -0.336 1.00 0.00 C ATOM 420 O GLY A 30 1.004 9.872 -0.734 1.00 0.00 O ATOM 0 H GLY A 30 -2.560 10.914 -0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.683 10.975 -2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.153 12.474 -1.522 1.00 0.00 H new ATOM 424 N ASP A 31 0.067 11.033 0.949 1.00 0.00 N ATOM 425 CA ASP A 31 0.829 10.351 1.990 1.00 0.00 C ATOM 426 C ASP A 31 0.747 8.837 1.819 1.00 0.00 C ATOM 427 O ASP A 31 -0.231 8.208 2.226 1.00 0.00 O ATOM 428 CB ASP A 31 0.313 10.749 3.373 1.00 0.00 C ATOM 429 CG ASP A 31 1.398 10.705 4.431 1.00 0.00 C ATOM 430 OD1 ASP A 31 2.367 11.485 4.321 1.00 0.00 O ATOM 431 OD2 ASP A 31 1.278 9.890 5.369 1.00 0.00 O ATOM 0 H ASP A 31 -0.577 11.744 1.295 1.00 0.00 H new ATOM 0 HA ASP A 31 1.872 10.653 1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.104 11.755 3.326 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.498 10.081 3.661 1.00 0.00 H new ATOM 436 N LEU A 32 1.778 8.259 1.214 1.00 0.00 N ATOM 437 CA LEU A 32 1.824 6.818 0.988 1.00 0.00 C ATOM 438 C LEU A 32 1.882 6.061 2.311 1.00 0.00 C ATOM 439 O LEU A 32 2.557 6.484 3.250 1.00 0.00 O ATOM 440 CB LEU A 32 3.034 6.455 0.126 1.00 0.00 C ATOM 441 CG LEU A 32 3.478 4.993 0.175 1.00 0.00 C ATOM 442 CD1 LEU A 32 4.382 4.670 -1.005 1.00 0.00 C ATOM 443 CD2 LEU A 32 4.185 4.694 1.489 1.00 0.00 C ATOM 0 H LEU A 32 2.594 8.766 0.871 1.00 0.00 H new ATOM 0 HA LEU A 32 0.913 6.528 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.807 6.711 -0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.873 7.079 0.432 1.00 0.00 H new ATOM 0 HG LEU A 32 2.592 4.362 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.688 3.625 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.842 4.844 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.265 5.309 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.494 3.649 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.063 5.333 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.505 4.885 2.320 1.00 0.00 H new ATOM 455 N ILE A 33 1.171 4.940 2.377 1.00 0.00 N ATOM 456 CA ILE A 33 1.145 4.123 3.584 1.00 0.00 C ATOM 457 C ILE A 33 1.917 2.823 3.384 1.00 0.00 C ATOM 458 O ILE A 33 1.838 2.197 2.327 1.00 0.00 O ATOM 459 CB ILE A 33 -0.298 3.790 4.007 1.00 0.00 C ATOM 460 CG1 ILE A 33 -1.109 5.075 4.184 1.00 0.00 C ATOM 461 CG2 ILE A 33 -0.298 2.975 5.292 1.00 0.00 C ATOM 462 CD1 ILE A 33 -1.782 5.545 2.914 1.00 0.00 C ATOM 0 H ILE A 33 0.606 4.577 1.609 1.00 0.00 H new ATOM 0 HA ILE A 33 1.620 4.708 4.372 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.764 3.194 3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.868 4.913 4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.451 5.863 4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.325 2.747 5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.249 2.046 5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.182 3.547 6.086 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.339 6.460 3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.027 5.739 2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.466 4.775 2.558 1.00 0.00 H new ATOM 474 N LYS A 34 2.663 2.421 4.408 1.00 0.00 N ATOM 475 CA LYS A 34 3.447 1.194 4.348 1.00 0.00 C ATOM 476 C LYS A 34 2.694 0.034 4.992 1.00 0.00 C ATOM 477 O LYS A 34 2.439 0.040 6.197 1.00 0.00 O ATOM 478 CB LYS A 34 4.795 1.391 5.045 1.00 0.00 C ATOM 479 CG LYS A 34 5.634 0.127 5.117 1.00 0.00 C ATOM 480 CD LYS A 34 7.120 0.444 5.149 1.00 0.00 C ATOM 481 CE LYS A 34 7.551 0.959 6.513 1.00 0.00 C ATOM 482 NZ LYS A 34 8.982 1.368 6.525 1.00 0.00 N ATOM 0 H LYS A 34 2.741 2.928 5.290 1.00 0.00 H new ATOM 0 HA LYS A 34 3.619 0.954 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.358 2.161 4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.621 1.760 6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.363 -0.440 6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.415 -0.506 4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.689 -0.452 4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.350 1.190 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.928 1.808 6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.389 0.184 7.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.237 1.713 7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.578 0.551 6.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.132 2.126 5.829 1.00 0.00 H new ATOM 496 N LEU A 35 2.342 -0.959 4.183 1.00 0.00 N ATOM 497 CA LEU A 35 1.619 -2.127 4.675 1.00 0.00 C ATOM 498 C LEU A 35 2.473 -2.921 5.658 1.00 0.00 C ATOM 499 O LEU A 35 3.595 -3.321 5.341 1.00 0.00 O ATOM 500 CB LEU A 35 1.200 -3.021 3.507 1.00 0.00 C ATOM 501 CG LEU A 35 0.135 -2.448 2.572 1.00 0.00 C ATOM 502 CD1 LEU A 35 -0.273 -3.480 1.532 1.00 0.00 C ATOM 503 CD2 LEU A 35 -1.076 -1.980 3.366 1.00 0.00 C ATOM 0 H LEU A 35 2.545 -0.979 3.184 1.00 0.00 H new ATOM 0 HA LEU A 35 0.727 -1.779 5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.087 -3.253 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.831 -3.964 3.911 1.00 0.00 H new ATOM 0 HG LEU A 35 0.559 -1.588 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.032 -3.054 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.598 -3.766 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.678 -4.360 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.824 -1.575 2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.501 -2.822 3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.772 -1.207 4.072 1.00 0.00 H new ATOM 515 N LEU A 36 1.935 -3.150 6.851 1.00 0.00 N ATOM 516 CA LEU A 36 2.647 -3.900 7.881 1.00 0.00 C ATOM 517 C LEU A 36 2.044 -5.289 8.057 1.00 0.00 C ATOM 518 O LEU A 36 0.845 -5.500 7.875 1.00 0.00 O ATOM 519 CB LEU A 36 2.608 -3.142 9.209 1.00 0.00 C ATOM 520 CG LEU A 36 3.326 -1.792 9.234 1.00 0.00 C ATOM 521 CD1 LEU A 36 3.025 -1.051 10.527 1.00 0.00 C ATOM 522 CD2 LEU A 36 4.826 -1.983 9.063 1.00 0.00 C ATOM 0 H LEU A 36 1.008 -2.827 7.129 1.00 0.00 H new ATOM 0 HA LEU A 36 3.684 -4.012 7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.565 -2.981 9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.045 -3.777 9.980 1.00 0.00 H new ATOM 0 HG LEU A 36 2.959 -1.191 8.402 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.545 -0.093 10.527 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.951 -0.882 10.608 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.363 -1.647 11.375 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.321 -1.012 9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.209 -2.602 9.874 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.024 -2.472 8.109 1.00 0.00 H new ATOM 534 N PRO A 37 2.893 -6.261 8.422 1.00 0.00 N ATOM 535 CA PRO A 37 2.466 -7.648 8.633 1.00 0.00 C ATOM 536 C PRO A 37 1.599 -7.803 9.878 1.00 0.00 C ATOM 537 O PRO A 37 2.099 -7.777 11.003 1.00 0.00 O ATOM 538 CB PRO A 37 3.786 -8.403 8.803 1.00 0.00 C ATOM 539 CG PRO A 37 4.749 -7.378 9.295 1.00 0.00 C ATOM 540 CD PRO A 37 4.336 -6.082 8.656 1.00 0.00 C ATOM 0 HA PRO A 37 1.852 -8.016 7.811 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.684 -9.223 9.513 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.118 -8.837 7.860 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.719 -7.304 10.382 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.771 -7.640 9.021 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.535 -5.231 9.308 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.875 -5.903 7.725 1.00 0.00 H new ATOM 548 N VAL A 38 0.296 -7.966 9.670 1.00 0.00 N ATOM 549 CA VAL A 38 -0.641 -8.128 10.775 1.00 0.00 C ATOM 550 C VAL A 38 -1.323 -9.490 10.722 1.00 0.00 C ATOM 551 O VAL A 38 -1.784 -9.924 9.667 1.00 0.00 O ATOM 552 CB VAL A 38 -1.717 -7.026 10.765 1.00 0.00 C ATOM 553 CG1 VAL A 38 -2.449 -7.008 9.432 1.00 0.00 C ATOM 554 CG2 VAL A 38 -2.692 -7.223 11.916 1.00 0.00 C ATOM 0 H VAL A 38 -0.135 -7.989 8.746 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.062 -8.051 11.695 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.227 -6.061 10.896 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.206 -6.223 9.443 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.738 -6.815 8.629 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.929 -7.973 9.268 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.445 -6.436 11.894 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.179 -8.194 11.819 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.152 -7.181 12.862 1.00 0.00 H new ATOM 564 N ALA A 39 -1.384 -10.160 11.868 1.00 0.00 N ATOM 565 CA ALA A 39 -2.013 -11.472 11.954 1.00 0.00 C ATOM 566 C ALA A 39 -3.454 -11.424 11.458 1.00 0.00 C ATOM 567 O ALA A 39 -3.810 -12.089 10.484 1.00 0.00 O ATOM 568 CB ALA A 39 -1.961 -11.990 13.383 1.00 0.00 C ATOM 0 H ALA A 39 -1.005 -9.815 12.750 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.458 -12.156 11.312 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.434 -12.971 13.432 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.922 -12.072 13.703 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.489 -11.299 14.040 1.00 0.00 H new ATOM 574 N THR A 40 -4.281 -10.633 12.134 1.00 0.00 N ATOM 575 CA THR A 40 -5.684 -10.499 11.763 1.00 0.00 C ATOM 576 C THR A 40 -6.063 -9.036 11.563 1.00 0.00 C ATOM 577 O THR A 40 -5.356 -8.134 12.013 1.00 0.00 O ATOM 578 CB THR A 40 -6.609 -11.116 12.831 1.00 0.00 C ATOM 579 OG1 THR A 40 -7.945 -11.211 12.325 1.00 0.00 O ATOM 580 CG2 THR A 40 -6.600 -10.280 14.102 1.00 0.00 C ATOM 0 H THR A 40 -4.003 -10.075 12.942 1.00 0.00 H new ATOM 0 HA THR A 40 -5.815 -11.037 10.824 1.00 0.00 H new ATOM 0 HB THR A 40 -6.240 -12.113 13.069 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.526 -11.605 13.008 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.260 -10.735 14.841 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.586 -10.234 14.500 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.948 -9.272 13.877 1.00 0.00 H new ATOM 588 N LEU A 41 -7.184 -8.807 10.887 1.00 0.00 N ATOM 589 CA LEU A 41 -7.658 -7.452 10.627 1.00 0.00 C ATOM 590 C LEU A 41 -9.179 -7.419 10.520 1.00 0.00 C ATOM 591 O LEU A 41 -9.841 -8.449 10.636 1.00 0.00 O ATOM 592 CB LEU A 41 -7.032 -6.910 9.341 1.00 0.00 C ATOM 593 CG LEU A 41 -5.685 -6.203 9.496 1.00 0.00 C ATOM 594 CD1 LEU A 41 -5.065 -5.931 8.134 1.00 0.00 C ATOM 595 CD2 LEU A 41 -5.848 -4.908 10.278 1.00 0.00 C ATOM 0 H LEU A 41 -7.781 -9.542 10.509 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.358 -6.821 11.463 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.907 -7.739 8.644 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.735 -6.213 8.884 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.015 -6.858 10.053 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.107 -5.427 8.264 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.911 -6.874 7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.732 -5.296 7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.879 -4.419 10.378 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.535 -4.247 9.749 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.247 -5.129 11.268 1.00 0.00 H new ATOM 607 N GLU A 42 -9.725 -6.227 10.297 1.00 0.00 N ATOM 608 CA GLU A 42 -11.168 -6.061 10.173 1.00 0.00 C ATOM 609 C GLU A 42 -11.588 -6.030 8.706 1.00 0.00 C ATOM 610 O GLU A 42 -10.810 -5.682 7.819 1.00 0.00 O ATOM 611 CB GLU A 42 -11.618 -4.775 10.871 1.00 0.00 C ATOM 612 CG GLU A 42 -11.926 -4.960 12.347 1.00 0.00 C ATOM 613 CD GLU A 42 -12.465 -3.698 12.993 1.00 0.00 C ATOM 614 OE1 GLU A 42 -13.197 -2.949 12.312 1.00 0.00 O ATOM 615 OE2 GLU A 42 -12.155 -3.460 14.179 1.00 0.00 O ATOM 0 H GLU A 42 -9.190 -5.364 10.199 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.649 -6.914 10.653 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.838 -4.021 10.763 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.506 -4.390 10.369 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.653 -5.763 12.465 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.020 -5.272 12.867 1.00 0.00 H new ATOM 622 N PRO A 43 -12.850 -6.404 8.445 1.00 0.00 N ATOM 623 CA PRO A 43 -13.403 -6.428 7.087 1.00 0.00 C ATOM 624 C PRO A 43 -13.595 -5.028 6.515 1.00 0.00 C ATOM 625 O PRO A 43 -14.675 -4.448 6.615 1.00 0.00 O ATOM 626 CB PRO A 43 -14.755 -7.122 7.267 1.00 0.00 C ATOM 627 CG PRO A 43 -15.127 -6.865 8.687 1.00 0.00 C ATOM 628 CD PRO A 43 -13.833 -6.831 9.454 1.00 0.00 C ATOM 0 HA PRO A 43 -12.739 -6.933 6.385 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.501 -6.718 6.583 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.682 -8.190 7.064 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -15.664 -5.922 8.785 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.785 -7.647 9.066 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.880 -6.133 10.290 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -13.585 -7.808 9.868 1.00 0.00 H new ATOM 636 N GLY A 44 -12.539 -4.489 5.913 1.00 0.00 N ATOM 637 CA GLY A 44 -12.613 -3.161 5.332 1.00 0.00 C ATOM 638 C GLY A 44 -11.623 -2.199 5.959 1.00 0.00 C ATOM 639 O GLY A 44 -11.692 -0.991 5.730 1.00 0.00 O ATOM 0 H GLY A 44 -11.633 -4.948 5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.424 -3.225 4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.623 -2.770 5.455 1.00 0.00 H new ATOM 643 N TRP A 45 -10.702 -2.733 6.752 1.00 0.00 N ATOM 644 CA TRP A 45 -9.695 -1.913 7.415 1.00 0.00 C ATOM 645 C TRP A 45 -8.290 -2.340 7.007 1.00 0.00 C ATOM 646 O TRP A 45 -8.082 -3.462 6.548 1.00 0.00 O ATOM 647 CB TRP A 45 -9.849 -2.008 8.934 1.00 0.00 C ATOM 648 CG TRP A 45 -10.974 -1.175 9.470 1.00 0.00 C ATOM 649 CD1 TRP A 45 -12.256 -1.583 9.705 1.00 0.00 C ATOM 650 CD2 TRP A 45 -10.918 0.207 9.837 1.00 0.00 C ATOM 651 NE1 TRP A 45 -13.001 -0.537 10.195 1.00 0.00 N ATOM 652 CE2 TRP A 45 -12.202 0.572 10.286 1.00 0.00 C ATOM 653 CE3 TRP A 45 -9.907 1.173 9.831 1.00 0.00 C ATOM 654 CZ2 TRP A 45 -12.500 1.860 10.723 1.00 0.00 C ATOM 655 CZ3 TRP A 45 -10.204 2.451 10.265 1.00 0.00 C ATOM 656 CH2 TRP A 45 -11.491 2.785 10.706 1.00 0.00 C ATOM 0 H TRP A 45 -10.631 -3.731 6.952 1.00 0.00 H new ATOM 0 HA TRP A 45 -9.844 -0.879 7.106 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -10.013 -3.049 9.211 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -8.918 -1.696 9.407 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -12.630 -2.581 9.531 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -13.988 -0.580 10.449 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -8.912 0.925 9.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -13.492 2.120 11.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -9.431 3.205 10.264 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -11.691 3.793 11.039 1.00 0.00 H new ATOM 667 N GLN A 46 -7.329 -1.437 7.177 1.00 0.00 N ATOM 668 CA GLN A 46 -5.943 -1.722 6.825 1.00 0.00 C ATOM 669 C GLN A 46 -4.994 -1.247 7.920 1.00 0.00 C ATOM 670 O GLN A 46 -5.214 -0.204 8.537 1.00 0.00 O ATOM 671 CB GLN A 46 -5.584 -1.053 5.497 1.00 0.00 C ATOM 672 CG GLN A 46 -5.859 -1.925 4.283 1.00 0.00 C ATOM 673 CD GLN A 46 -4.876 -3.072 4.152 1.00 0.00 C ATOM 674 OE1 GLN A 46 -4.687 -3.853 5.085 1.00 0.00 O ATOM 675 NE2 GLN A 46 -4.242 -3.179 2.990 1.00 0.00 N ATOM 0 H GLN A 46 -7.485 -0.503 7.556 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.836 -2.802 6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -6.148 -0.125 5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.528 -0.784 5.509 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.871 -2.325 4.350 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.817 -1.311 3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.429 -2.510 2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.568 -3.931 2.844 1.00 0.00 H new ATOM 684 N PHE A 47 -3.939 -2.019 8.159 1.00 0.00 N ATOM 685 CA PHE A 47 -2.956 -1.677 9.181 1.00 0.00 C ATOM 686 C PHE A 47 -1.597 -1.384 8.553 1.00 0.00 C ATOM 687 O PHE A 47 -1.044 -2.211 7.829 1.00 0.00 O ATOM 688 CB PHE A 47 -2.828 -2.815 10.195 1.00 0.00 C ATOM 689 CG PHE A 47 -1.873 -2.515 11.315 1.00 0.00 C ATOM 690 CD1 PHE A 47 -2.114 -1.465 12.187 1.00 0.00 C ATOM 691 CD2 PHE A 47 -0.734 -3.283 11.496 1.00 0.00 C ATOM 692 CE1 PHE A 47 -1.236 -1.186 13.217 1.00 0.00 C ATOM 693 CE2 PHE A 47 0.148 -3.009 12.525 1.00 0.00 C ATOM 694 CZ PHE A 47 -0.105 -1.960 13.388 1.00 0.00 C ATOM 0 H PHE A 47 -3.743 -2.886 7.659 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.299 -0.779 9.694 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.811 -3.030 10.614 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.498 -3.716 9.678 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.998 -0.858 12.060 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.533 -4.105 10.825 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.434 -0.363 13.888 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.033 -3.614 12.654 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.580 -1.746 14.195 1.00 0.00 H new ATOM 704 N GLY A 48 -1.064 -0.199 8.835 1.00 0.00 N ATOM 705 CA GLY A 48 0.225 0.184 8.290 1.00 0.00 C ATOM 706 C GLY A 48 0.765 1.455 8.915 1.00 0.00 C ATOM 707 O GLY A 48 0.089 2.094 9.721 1.00 0.00 O ATOM 0 H GLY A 48 -1.502 0.503 9.431 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.938 -0.626 8.448 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.134 0.323 7.213 1.00 0.00 H new ATOM 711 N SER A 49 1.988 1.822 8.544 1.00 0.00 N ATOM 712 CA SER A 49 2.620 3.022 9.079 1.00 0.00 C ATOM 713 C SER A 49 2.668 4.125 8.026 1.00 0.00 C ATOM 714 O SER A 49 3.057 3.890 6.882 1.00 0.00 O ATOM 715 CB SER A 49 4.035 2.705 9.566 1.00 0.00 C ATOM 716 OG SER A 49 4.753 3.892 9.855 1.00 0.00 O ATOM 0 H SER A 49 2.560 1.306 7.876 1.00 0.00 H new ATOM 0 HA SER A 49 2.024 3.372 9.921 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.985 2.081 10.458 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.565 2.132 8.805 1.00 0.00 H new ATOM 0 HG SER A 49 5.653 3.662 10.166 1.00 0.00 H new ATOM 722 N ALA A 50 2.270 5.330 8.421 1.00 0.00 N ATOM 723 CA ALA A 50 2.269 6.470 7.514 1.00 0.00 C ATOM 724 C ALA A 50 2.599 7.762 8.254 1.00 0.00 C ATOM 725 O ALA A 50 2.031 8.047 9.308 1.00 0.00 O ATOM 726 CB ALA A 50 0.922 6.589 6.816 1.00 0.00 C ATOM 0 H ALA A 50 1.944 5.541 9.364 1.00 0.00 H new ATOM 0 HA ALA A 50 3.042 6.305 6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.936 7.445 6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.726 5.681 6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.137 6.726 7.560 1.00 0.00 H new ATOM 732 N GLY A 51 3.521 8.541 7.696 1.00 0.00 N ATOM 733 CA GLY A 51 3.911 9.792 8.319 1.00 0.00 C ATOM 734 C GLY A 51 4.379 9.608 9.749 1.00 0.00 C ATOM 735 O GLY A 51 3.776 10.140 10.680 1.00 0.00 O ATOM 0 H GLY A 51 4.005 8.328 6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.709 10.251 7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.067 10.481 8.302 1.00 0.00 H new ATOM 739 N GLY A 52 5.457 8.850 9.924 1.00 0.00 N ATOM 740 CA GLY A 52 5.986 8.609 11.254 1.00 0.00 C ATOM 741 C GLY A 52 4.896 8.331 12.270 1.00 0.00 C ATOM 742 O GLY A 52 5.005 8.725 13.431 1.00 0.00 O ATOM 0 H GLY A 52 5.973 8.399 9.169 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.672 7.763 11.221 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.564 9.476 11.574 1.00 0.00 H new ATOM 746 N ARG A 53 3.840 7.653 11.832 1.00 0.00 N ATOM 747 CA ARG A 53 2.724 7.326 12.711 1.00 0.00 C ATOM 748 C ARG A 53 2.069 6.012 12.293 1.00 0.00 C ATOM 749 O ARG A 53 2.182 5.590 11.143 1.00 0.00 O ATOM 750 CB ARG A 53 1.688 8.452 12.696 1.00 0.00 C ATOM 751 CG ARG A 53 2.057 9.630 13.583 1.00 0.00 C ATOM 752 CD ARG A 53 1.198 10.847 13.277 1.00 0.00 C ATOM 753 NE ARG A 53 1.381 11.907 14.265 1.00 0.00 N ATOM 754 CZ ARG A 53 0.904 13.139 14.117 1.00 0.00 C ATOM 755 NH1 ARG A 53 0.220 13.462 13.029 1.00 0.00 N ATOM 756 NH2 ARG A 53 1.112 14.049 15.060 1.00 0.00 N ATOM 0 H ARG A 53 3.734 7.320 10.874 1.00 0.00 H new ATOM 0 HA ARG A 53 3.113 7.213 13.723 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.561 8.804 11.672 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.726 8.053 13.017 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.935 9.351 14.630 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.108 9.880 13.440 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.448 11.227 12.286 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.149 10.553 13.251 1.00 0.00 H new ATOM 0 HE ARG A 53 1.903 11.690 15.114 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.058 12.765 12.302 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.145 14.408 12.918 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.638 13.803 15.899 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.746 14.994 14.946 1.00 0.00 H new ATOM 770 N SER A 54 1.386 5.372 13.236 1.00 0.00 N ATOM 771 CA SER A 54 0.717 4.104 12.967 1.00 0.00 C ATOM 772 C SER A 54 -0.780 4.209 13.247 1.00 0.00 C ATOM 773 O SER A 54 -1.215 5.025 14.059 1.00 0.00 O ATOM 774 CB SER A 54 1.329 2.989 13.818 1.00 0.00 C ATOM 775 OG SER A 54 2.691 2.784 13.486 1.00 0.00 O ATOM 0 H SER A 54 1.281 5.710 14.193 1.00 0.00 H new ATOM 0 HA SER A 54 0.856 3.865 11.913 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.243 3.245 14.874 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.772 2.065 13.667 1.00 0.00 H new ATOM 0 HG SER A 54 3.060 2.068 14.044 1.00 0.00 H new ATOM 781 N GLY A 55 -1.563 3.378 12.566 1.00 0.00 N ATOM 782 CA GLY A 55 -3.001 3.393 12.754 1.00 0.00 C ATOM 783 C GLY A 55 -3.726 2.510 11.757 1.00 0.00 C ATOM 784 O GLY A 55 -3.101 1.725 11.042 1.00 0.00 O ATOM 0 H GLY A 55 -1.227 2.695 11.887 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.235 3.062 13.766 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.366 4.416 12.661 1.00 0.00 H new ATOM 788 N LEU A 56 -5.047 2.636 11.709 1.00 0.00 N ATOM 789 CA LEU A 56 -5.858 1.842 10.792 1.00 0.00 C ATOM 790 C LEU A 56 -6.596 2.738 9.802 1.00 0.00 C ATOM 791 O LEU A 56 -7.014 3.845 10.142 1.00 0.00 O ATOM 792 CB LEU A 56 -6.862 0.992 11.574 1.00 0.00 C ATOM 793 CG LEU A 56 -6.265 -0.053 12.517 1.00 0.00 C ATOM 794 CD1 LEU A 56 -7.217 -0.339 13.667 1.00 0.00 C ATOM 795 CD2 LEU A 56 -5.940 -1.332 11.760 1.00 0.00 C ATOM 0 H LEU A 56 -5.580 3.280 12.294 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.192 1.185 10.233 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.496 1.659 12.158 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.509 0.481 10.861 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.338 0.346 12.930 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.776 -1.085 14.328 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.399 0.579 14.226 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.161 -0.716 13.273 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.516 -2.064 12.447 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.851 -1.735 11.318 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.219 -1.115 10.971 1.00 0.00 H new ATOM 807 N PHE A 57 -6.755 2.251 8.576 1.00 0.00 N ATOM 808 CA PHE A 57 -7.443 3.007 7.536 1.00 0.00 C ATOM 809 C PHE A 57 -8.220 2.075 6.610 1.00 0.00 C ATOM 810 O PHE A 57 -7.826 0.935 6.361 1.00 0.00 O ATOM 811 CB PHE A 57 -6.440 3.830 6.725 1.00 0.00 C ATOM 812 CG PHE A 57 -5.437 2.992 5.985 1.00 0.00 C ATOM 813 CD1 PHE A 57 -4.329 2.476 6.639 1.00 0.00 C ATOM 814 CD2 PHE A 57 -5.600 2.721 4.637 1.00 0.00 C ATOM 815 CE1 PHE A 57 -3.404 1.706 5.961 1.00 0.00 C ATOM 816 CE2 PHE A 57 -4.678 1.951 3.953 1.00 0.00 C ATOM 817 CZ PHE A 57 -3.579 1.442 4.616 1.00 0.00 C ATOM 0 H PHE A 57 -6.417 1.336 8.278 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.149 3.682 8.020 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.983 4.448 6.010 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.911 4.508 7.396 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.187 2.678 7.690 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.458 3.116 4.114 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.545 1.311 6.482 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.817 1.748 2.901 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.858 0.839 4.085 1.00 0.00 H new ATOM 827 N PRO A 58 -9.352 2.570 6.088 1.00 0.00 N ATOM 828 CA PRO A 58 -10.208 1.799 5.182 1.00 0.00 C ATOM 829 C PRO A 58 -9.560 1.578 3.819 1.00 0.00 C ATOM 830 O PRO A 58 -9.123 2.527 3.168 1.00 0.00 O ATOM 831 CB PRO A 58 -11.457 2.673 5.044 1.00 0.00 C ATOM 832 CG PRO A 58 -10.983 4.057 5.326 1.00 0.00 C ATOM 833 CD PRO A 58 -9.883 3.920 6.341 1.00 0.00 C ATOM 0 HA PRO A 58 -10.411 0.799 5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.885 2.597 4.044 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.233 2.369 5.747 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.618 4.537 4.418 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.794 4.676 5.710 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.117 4.684 6.209 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.261 4.019 7.359 1.00 0.00 H new ATOM 841 N ALA A 59 -9.502 0.320 3.394 1.00 0.00 N ATOM 842 CA ALA A 59 -8.909 -0.024 2.107 1.00 0.00 C ATOM 843 C ALA A 59 -9.862 0.297 0.960 1.00 0.00 C ATOM 844 O ALA A 59 -10.108 -0.540 0.092 1.00 0.00 O ATOM 845 CB ALA A 59 -8.525 -1.496 2.080 1.00 0.00 C ATOM 0 H ALA A 59 -9.858 -0.477 3.921 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.010 0.578 1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.084 -1.739 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.802 -1.698 2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.414 -2.107 2.237 1.00 0.00 H new ATOM 851 N ASP A 60 -10.395 1.514 0.964 1.00 0.00 N ATOM 852 CA ASP A 60 -11.321 1.945 -0.077 1.00 0.00 C ATOM 853 C ASP A 60 -10.909 3.300 -0.643 1.00 0.00 C ATOM 854 O ASP A 60 -11.126 3.584 -1.822 1.00 0.00 O ATOM 855 CB ASP A 60 -12.745 2.022 0.477 1.00 0.00 C ATOM 856 CG ASP A 60 -13.419 0.666 0.532 1.00 0.00 C ATOM 857 OD1 ASP A 60 -13.142 -0.097 1.482 1.00 0.00 O ATOM 858 OD2 ASP A 60 -14.223 0.366 -0.375 1.00 0.00 O ATOM 0 H ASP A 60 -10.202 2.219 1.676 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.292 1.210 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.719 2.453 1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.337 2.694 -0.144 1.00 0.00 H new ATOM 863 N ILE A 61 -10.313 4.133 0.203 1.00 0.00 N ATOM 864 CA ILE A 61 -9.870 5.458 -0.213 1.00 0.00 C ATOM 865 C ILE A 61 -8.382 5.461 -0.546 1.00 0.00 C ATOM 866 O ILE A 61 -7.733 6.507 -0.528 1.00 0.00 O ATOM 867 CB ILE A 61 -10.143 6.511 0.877 1.00 0.00 C ATOM 868 CG1 ILE A 61 -9.134 6.368 2.019 1.00 0.00 C ATOM 869 CG2 ILE A 61 -11.565 6.377 1.400 1.00 0.00 C ATOM 870 CD1 ILE A 61 -9.523 7.128 3.267 1.00 0.00 C ATOM 0 H ILE A 61 -10.126 3.914 1.181 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.440 5.715 -1.106 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.030 7.503 0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.024 5.312 2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.160 6.719 1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.742 7.128 2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.269 6.524 0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.704 5.383 1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.763 6.981 4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.605 8.190 3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.482 6.761 3.632 1.00 0.00 H new ATOM 882 N VAL A 62 -7.848 4.283 -0.854 1.00 0.00 N ATOM 883 CA VAL A 62 -6.437 4.150 -1.195 1.00 0.00 C ATOM 884 C VAL A 62 -6.255 3.340 -2.473 1.00 0.00 C ATOM 885 O VAL A 62 -6.976 2.372 -2.714 1.00 0.00 O ATOM 886 CB VAL A 62 -5.646 3.477 -0.057 1.00 0.00 C ATOM 887 CG1 VAL A 62 -5.734 4.304 1.217 1.00 0.00 C ATOM 888 CG2 VAL A 62 -6.153 2.063 0.180 1.00 0.00 C ATOM 0 H VAL A 62 -8.371 3.408 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.052 5.158 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.598 3.418 -0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.169 3.813 2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.319 5.296 1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.777 4.397 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.583 1.603 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.208 2.096 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.032 1.476 -0.730 1.00 0.00 H new ATOM 898 N GLN A 63 -5.286 3.742 -3.289 1.00 0.00 N ATOM 899 CA GLN A 63 -5.009 3.053 -4.544 1.00 0.00 C ATOM 900 C GLN A 63 -3.599 2.472 -4.547 1.00 0.00 C ATOM 901 O GLN A 63 -2.680 3.007 -3.926 1.00 0.00 O ATOM 902 CB GLN A 63 -5.182 4.010 -5.725 1.00 0.00 C ATOM 903 CG GLN A 63 -3.927 4.802 -6.054 1.00 0.00 C ATOM 904 CD GLN A 63 -3.052 4.109 -7.081 1.00 0.00 C ATOM 905 OE1 GLN A 63 -3.503 3.211 -7.792 1.00 0.00 O ATOM 906 NE2 GLN A 63 -1.794 4.525 -7.164 1.00 0.00 N ATOM 0 H GLN A 63 -4.680 4.541 -3.104 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.720 2.233 -4.643 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.482 3.439 -6.604 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.992 4.704 -5.504 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.210 5.786 -6.428 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.353 4.961 -5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.463 5.273 -6.554 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.159 4.097 -7.837 1.00 0.00 H new ATOM 915 N PRO A 64 -3.421 1.351 -5.262 1.00 0.00 N ATOM 916 CA PRO A 64 -2.125 0.674 -5.363 1.00 0.00 C ATOM 917 C PRO A 64 -1.116 1.472 -6.181 1.00 0.00 C ATOM 918 O PRO A 64 -1.470 2.099 -7.179 1.00 0.00 O ATOM 919 CB PRO A 64 -2.467 -0.641 -6.069 1.00 0.00 C ATOM 920 CG PRO A 64 -3.705 -0.345 -6.842 1.00 0.00 C ATOM 921 CD PRO A 64 -4.472 0.659 -6.027 1.00 0.00 C ATOM 0 HA PRO A 64 -1.657 0.541 -4.388 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.657 -0.960 -6.725 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.631 -1.445 -5.351 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.464 0.055 -7.827 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.292 -1.250 -7.000 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.029 1.350 -6.660 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.195 0.175 -5.370 1.00 0.00 H new ATOM 929 N ALA A 65 0.141 1.443 -5.752 1.00 0.00 N ATOM 930 CA ALA A 65 1.202 2.162 -6.447 1.00 0.00 C ATOM 931 C ALA A 65 2.476 1.327 -6.517 1.00 0.00 C ATOM 932 O ALA A 65 2.611 0.322 -5.819 1.00 0.00 O ATOM 933 CB ALA A 65 1.477 3.491 -5.759 1.00 0.00 C ATOM 0 H ALA A 65 0.450 0.929 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 65 0.869 2.355 -7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.271 4.017 -6.288 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.572 4.098 -5.766 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.785 3.311 -4.729 1.00 0.00 H new ATOM 939 N ALA A 66 3.408 1.749 -7.365 1.00 0.00 N ATOM 940 CA ALA A 66 4.672 1.041 -7.526 1.00 0.00 C ATOM 941 C ALA A 66 5.571 1.238 -6.310 1.00 0.00 C ATOM 942 O ALA A 66 5.606 2.319 -5.722 1.00 0.00 O ATOM 943 CB ALA A 66 5.381 1.505 -8.789 1.00 0.00 C ATOM 0 H ALA A 66 3.311 2.578 -7.951 1.00 0.00 H new ATOM 0 HA ALA A 66 4.454 -0.023 -7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.323 0.967 -8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.750 1.306 -9.655 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.579 2.575 -8.723 1.00 0.00 H new ATOM 949 N ALA A 67 6.295 0.188 -5.938 1.00 0.00 N ATOM 950 CA ALA A 67 7.194 0.247 -4.793 1.00 0.00 C ATOM 951 C ALA A 67 8.248 1.334 -4.978 1.00 0.00 C ATOM 952 O ALA A 67 8.728 1.585 -6.083 1.00 0.00 O ATOM 953 CB ALA A 67 7.860 -1.104 -4.574 1.00 0.00 C ATOM 0 H ALA A 67 6.276 -0.714 -6.413 1.00 0.00 H new ATOM 0 HA ALA A 67 6.603 0.496 -3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.529 -1.045 -3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.097 -1.860 -4.388 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.432 -1.376 -5.461 1.00 0.00 H new