USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 576 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 2 GLN : amide:sc= -0.0717 K(o=-0.072,f=-1.8!) USER MOD Single : A 6 LYS NZ :NH3+ -155:sc= -0.0197 (180deg=-0.384) USER MOD Single : A 7 THR OG1 : rot -109:sc= -2.45 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -49:sc= 0.706 USER MOD Single : A 22 THR OG1 : rot 32:sc= 0.177 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.774) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 33 LYS NZ :NH3+ -131:sc= -0.174 (180deg=-1.35) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -2.95 X(o=-2.9,f=-3.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 55 THR OG1 : rot 56:sc= 0.644 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 62 GLN : amide:sc= -0.0337 X(o=-0.034,f=-0.31) USER MOD Single : A 63 LYS NZ :NH3+ -134:sc= -0.0711 (180deg=-0.854) USER MOD Single : A 65 SER OG : rot 87:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 89:sc= 1.07 USER MOD Single : A 68 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -15.111 2.005 0.386 1.00 0.00 N ATOM 21 CA GLN A 2 -14.628 2.813 1.500 1.00 0.00 C ATOM 22 C GLN A 2 -13.498 2.101 2.240 1.00 0.00 C ATOM 23 O GLN A 2 -13.659 0.963 2.683 1.00 0.00 O ATOM 24 CB GLN A 2 -15.772 3.126 2.467 1.00 0.00 C ATOM 25 CG GLN A 2 -16.934 3.860 1.819 1.00 0.00 C ATOM 26 CD GLN A 2 -17.823 4.559 2.831 1.00 0.00 C ATOM 27 OE1 GLN A 2 -17.389 4.870 3.940 1.00 0.00 O ATOM 28 NE2 GLN A 2 -19.076 4.811 2.458 1.00 0.00 N ATOM 0 HA GLN A 2 -14.240 3.748 1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -16.137 2.194 2.898 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -15.386 3.728 3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.546 4.595 1.114 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -17.531 3.151 1.245 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -19.397 4.537 1.529 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -19.715 5.278 3.101 1.00 0.00 H new ATOM 37 N ILE A 3 -12.355 2.772 2.370 1.00 0.00 N ATOM 38 CA ILE A 3 -11.206 2.191 3.054 1.00 0.00 C ATOM 39 C ILE A 3 -10.511 3.227 3.939 1.00 0.00 C ATOM 40 O ILE A 3 -10.579 4.426 3.669 1.00 0.00 O ATOM 41 CB ILE A 3 -10.191 1.616 2.047 1.00 0.00 C ATOM 42 CG1 ILE A 3 -9.057 0.898 2.780 1.00 0.00 C ATOM 43 CG2 ILE A 3 -9.638 2.719 1.156 1.00 0.00 C ATOM 44 CD1 ILE A 3 -8.273 -0.049 1.900 1.00 0.00 C ATOM 0 H ILE A 3 -12.202 3.715 2.012 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.580 1.382 3.681 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.706 0.891 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.377 1.641 3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.473 0.341 3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.923 2.294 0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.455 3.186 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -9.139 3.468 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.485 -0.523 2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.940 -0.814 1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.827 0.506 1.075 1.00 0.00 H new ATOM 56 N PHE A 4 -9.843 2.760 4.994 1.00 0.00 N ATOM 57 CA PHE A 4 -9.142 3.655 5.908 1.00 0.00 C ATOM 58 C PHE A 4 -7.647 3.347 5.928 1.00 0.00 C ATOM 59 O PHE A 4 -7.245 2.202 6.133 1.00 0.00 O ATOM 60 CB PHE A 4 -9.725 3.537 7.319 1.00 0.00 C ATOM 61 CG PHE A 4 -10.300 4.824 7.839 1.00 0.00 C ATOM 62 CD1 PHE A 4 -11.482 5.327 7.323 1.00 0.00 C ATOM 63 CD2 PHE A 4 -9.657 5.527 8.845 1.00 0.00 C ATOM 64 CE1 PHE A 4 -12.013 6.511 7.800 1.00 0.00 C ATOM 65 CE2 PHE A 4 -10.184 6.712 9.326 1.00 0.00 C ATOM 66 CZ PHE A 4 -11.363 7.204 8.803 1.00 0.00 C ATOM 0 H PHE A 4 -9.774 1.771 5.234 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.277 4.677 5.555 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.503 2.774 7.319 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.944 3.196 7.999 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -11.995 4.789 6.540 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.735 5.146 9.258 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -12.935 6.894 7.389 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.674 7.252 10.110 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.776 8.129 9.177 1.00 0.00 H new ATOM 76 N VAL A 5 -6.824 4.373 5.713 1.00 0.00 N ATOM 77 CA VAL A 5 -5.376 4.200 5.704 1.00 0.00 C ATOM 78 C VAL A 5 -4.756 4.665 7.022 1.00 0.00 C ATOM 79 O VAL A 5 -5.168 5.678 7.586 1.00 0.00 O ATOM 80 CB VAL A 5 -4.723 4.976 4.540 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.309 4.476 4.287 1.00 0.00 C ATOM 82 CG2 VAL A 5 -5.568 4.863 3.278 1.00 0.00 C ATOM 0 H VAL A 5 -7.136 5.329 5.543 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.187 3.135 5.572 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.667 6.028 4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.867 5.036 3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.707 4.616 5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.338 3.417 4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.090 5.417 2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.660 3.815 2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.559 5.277 3.465 1.00 0.00 H new ATOM 92 N LYS A 6 -3.761 3.921 7.507 1.00 0.00 N ATOM 93 CA LYS A 6 -3.088 4.265 8.754 1.00 0.00 C ATOM 94 C LYS A 6 -1.691 4.817 8.472 1.00 0.00 C ATOM 95 O LYS A 6 -0.713 4.071 8.449 1.00 0.00 O ATOM 96 CB LYS A 6 -2.996 3.040 9.667 1.00 0.00 C ATOM 97 CG LYS A 6 -3.981 3.070 10.825 1.00 0.00 C ATOM 98 CD LYS A 6 -5.415 3.200 10.335 1.00 0.00 C ATOM 99 CE LYS A 6 -6.198 4.208 11.162 1.00 0.00 C ATOM 100 NZ LYS A 6 -6.095 3.930 12.621 1.00 0.00 N ATOM 0 H LYS A 6 -3.406 3.079 7.054 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.672 5.034 9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.171 2.142 9.075 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.983 2.968 10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.878 2.159 11.415 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.744 3.905 11.484 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.417 3.507 9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.906 2.228 10.383 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.827 5.212 10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.246 4.188 10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.924 4.325 13.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.058 2.902 12.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.231 4.369 12.998 1.00 0.00 H new ATOM 114 N THR A 7 -1.611 6.126 8.244 1.00 0.00 N ATOM 115 CA THR A 7 -0.340 6.774 7.946 1.00 0.00 C ATOM 116 C THR A 7 0.116 7.680 9.101 1.00 0.00 C ATOM 117 O THR A 7 -0.575 8.634 9.460 1.00 0.00 O ATOM 118 CB THR A 7 -0.462 7.604 6.663 1.00 0.00 C ATOM 119 OG1 THR A 7 -1.821 7.728 6.265 1.00 0.00 O ATOM 120 CG2 THR A 7 0.315 7.022 5.499 1.00 0.00 C ATOM 0 H THR A 7 -2.412 6.757 8.260 1.00 0.00 H new ATOM 0 HA THR A 7 0.407 5.992 7.810 1.00 0.00 H new ATOM 0 HB THR A 7 -0.039 8.578 6.908 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.975 7.195 5.458 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.187 7.657 4.622 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.373 6.970 5.757 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.055 6.021 5.279 1.00 0.00 H new ATOM 128 N LEU A 8 1.289 7.383 9.669 1.00 0.00 N ATOM 129 CA LEU A 8 1.854 8.168 10.770 1.00 0.00 C ATOM 130 C LEU A 8 1.885 9.671 10.457 1.00 0.00 C ATOM 131 O LEU A 8 1.962 10.489 11.374 1.00 0.00 O ATOM 132 CB LEU A 8 3.289 7.698 11.048 1.00 0.00 C ATOM 133 CG LEU A 8 3.432 6.677 12.178 1.00 0.00 C ATOM 134 CD1 LEU A 8 4.531 5.676 11.858 1.00 0.00 C ATOM 135 CD2 LEU A 8 3.716 7.381 13.497 1.00 0.00 C ATOM 0 H LEU A 8 1.870 6.596 9.380 1.00 0.00 H new ATOM 0 HA LEU A 8 1.215 8.014 11.639 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.696 7.264 10.134 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.900 8.569 11.287 1.00 0.00 H new ATOM 0 HG LEU A 8 2.492 6.133 12.273 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.618 4.958 12.673 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.286 5.150 10.935 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.478 6.202 11.735 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.815 6.641 14.291 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.642 7.950 13.414 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.895 8.058 13.733 1.00 0.00 H new ATOM 147 N THR A 9 1.831 10.046 9.175 1.00 0.00 N ATOM 148 CA THR A 9 1.862 11.457 8.803 1.00 0.00 C ATOM 149 C THR A 9 0.458 11.986 8.496 1.00 0.00 C ATOM 150 O THR A 9 0.276 12.794 7.585 1.00 0.00 O ATOM 151 CB THR A 9 2.772 11.666 7.591 1.00 0.00 C ATOM 152 OG1 THR A 9 2.327 10.893 6.491 1.00 0.00 O ATOM 153 CG2 THR A 9 4.216 11.300 7.857 1.00 0.00 C ATOM 0 H THR A 9 1.766 9.399 8.389 1.00 0.00 H new ATOM 0 HA THR A 9 2.257 12.015 9.652 1.00 0.00 H new ATOM 0 HB THR A 9 2.720 12.732 7.370 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.920 11.041 5.725 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.807 11.472 6.957 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.604 11.916 8.669 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.279 10.249 8.137 1.00 0.00 H new ATOM 161 N GLY A 10 -0.532 11.537 9.273 1.00 0.00 N ATOM 162 CA GLY A 10 -1.903 11.987 9.080 1.00 0.00 C ATOM 163 C GLY A 10 -2.375 11.912 7.636 1.00 0.00 C ATOM 164 O GLY A 10 -3.220 12.705 7.220 1.00 0.00 O ATOM 0 H GLY A 10 -0.406 10.869 10.033 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.565 11.383 9.701 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.990 13.016 9.428 1.00 0.00 H new ATOM 168 N LYS A 11 -1.846 10.960 6.868 1.00 0.00 N ATOM 169 CA LYS A 11 -2.247 10.805 5.472 1.00 0.00 C ATOM 170 C LYS A 11 -3.512 9.952 5.364 1.00 0.00 C ATOM 171 O LYS A 11 -3.483 8.852 4.814 1.00 0.00 O ATOM 172 CB LYS A 11 -1.116 10.178 4.652 1.00 0.00 C ATOM 173 CG LYS A 11 -1.097 10.628 3.200 1.00 0.00 C ATOM 174 CD LYS A 11 -0.090 11.746 2.973 1.00 0.00 C ATOM 175 CE LYS A 11 -0.781 13.064 2.659 1.00 0.00 C ATOM 176 NZ LYS A 11 -1.291 13.105 1.260 1.00 0.00 N ATOM 0 H LYS A 11 -1.145 10.291 7.186 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.461 11.795 5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.161 10.429 5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.212 9.093 4.686 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.852 9.781 2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.091 10.969 2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.532 11.863 3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.574 11.478 2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.609 13.214 3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.083 13.886 2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.755 14.019 1.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.498 12.988 0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.977 12.336 1.118 1.00 0.00 H new ATOM 190 N THR A 12 -4.624 10.464 5.894 1.00 0.00 N ATOM 191 CA THR A 12 -5.890 9.739 5.853 1.00 0.00 C ATOM 192 C THR A 12 -6.707 10.139 4.626 1.00 0.00 C ATOM 193 O THR A 12 -7.371 11.177 4.619 1.00 0.00 O ATOM 194 CB THR A 12 -6.694 9.995 7.134 1.00 0.00 C ATOM 195 OG1 THR A 12 -7.858 9.182 7.177 1.00 0.00 O ATOM 196 CG2 THR A 12 -7.125 11.438 7.297 1.00 0.00 C ATOM 0 H THR A 12 -4.672 11.373 6.354 1.00 0.00 H new ATOM 0 HA THR A 12 -5.669 8.674 5.784 1.00 0.00 H new ATOM 0 HB THR A 12 -6.016 9.745 7.950 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.353 9.362 8.004 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.689 11.547 8.224 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.244 12.079 7.331 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.753 11.728 6.454 1.00 0.00 H new ATOM 204 N ILE A 13 -6.659 9.308 3.585 1.00 0.00 N ATOM 205 CA ILE A 13 -7.400 9.581 2.358 1.00 0.00 C ATOM 206 C ILE A 13 -8.299 8.404 1.983 1.00 0.00 C ATOM 207 O ILE A 13 -8.232 7.341 2.600 1.00 0.00 O ATOM 208 CB ILE A 13 -6.456 9.890 1.178 1.00 0.00 C ATOM 209 CG1 ILE A 13 -5.249 8.948 1.186 1.00 0.00 C ATOM 210 CG2 ILE A 13 -5.999 11.340 1.234 1.00 0.00 C ATOM 211 CD1 ILE A 13 -5.620 7.487 1.054 1.00 0.00 C ATOM 0 H ILE A 13 -6.117 8.444 3.568 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.016 10.459 2.555 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.004 9.732 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.581 9.220 0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.693 9.091 2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.333 11.544 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.867 11.997 1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.469 11.519 2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.715 6.879 1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.263 7.198 1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.149 7.329 0.114 1.00 0.00 H new ATOM 223 N THR A 14 -9.138 8.597 0.967 1.00 0.00 N ATOM 224 CA THR A 14 -10.042 7.546 0.514 1.00 0.00 C ATOM 225 C THR A 14 -9.549 6.940 -0.798 1.00 0.00 C ATOM 226 O THR A 14 -9.194 7.663 -1.729 1.00 0.00 O ATOM 227 CB THR A 14 -11.457 8.102 0.335 1.00 0.00 C ATOM 228 OG1 THR A 14 -11.664 9.239 1.160 1.00 0.00 O ATOM 229 CG2 THR A 14 -12.541 7.093 0.656 1.00 0.00 C ATOM 0 H THR A 14 -9.209 9.470 0.444 1.00 0.00 H new ATOM 0 HA THR A 14 -10.063 6.763 1.272 1.00 0.00 H new ATOM 0 HB THR A 14 -11.530 8.367 -0.720 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.574 9.578 1.028 1.00 0.00 H new ATOM 0 HG21 THR A 14 -13.519 7.551 0.509 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.441 6.230 -0.002 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.443 6.771 1.693 1.00 0.00 H new ATOM 237 N LEU A 15 -9.526 5.609 -0.869 1.00 0.00 N ATOM 238 CA LEU A 15 -9.071 4.920 -2.072 1.00 0.00 C ATOM 239 C LEU A 15 -10.089 3.874 -2.526 1.00 0.00 C ATOM 240 O LEU A 15 -10.454 2.981 -1.762 1.00 0.00 O ATOM 241 CB LEU A 15 -7.718 4.252 -1.820 1.00 0.00 C ATOM 242 CG LEU A 15 -6.615 5.188 -1.328 1.00 0.00 C ATOM 243 CD1 LEU A 15 -5.374 4.397 -0.946 1.00 0.00 C ATOM 244 CD2 LEU A 15 -6.283 6.224 -2.391 1.00 0.00 C ATOM 0 H LEU A 15 -9.816 4.991 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.964 5.662 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.853 3.458 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.386 3.779 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.975 5.709 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.600 5.081 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.621 3.694 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.010 3.849 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.496 6.882 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.943 5.721 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.173 6.812 -2.616 1.00 0.00 H new ATOM 256 N GLU A 16 -10.538 3.987 -3.775 1.00 0.00 N ATOM 257 CA GLU A 16 -11.506 3.046 -4.324 1.00 0.00 C ATOM 258 C GLU A 16 -10.815 2.019 -5.219 1.00 0.00 C ATOM 259 O GLU A 16 -10.014 2.377 -6.083 1.00 0.00 O ATOM 260 CB GLU A 16 -12.586 3.789 -5.115 1.00 0.00 C ATOM 261 CG GLU A 16 -12.059 4.487 -6.359 1.00 0.00 C ATOM 262 CD GLU A 16 -13.166 5.085 -7.203 1.00 0.00 C ATOM 263 OE1 GLU A 16 -14.164 5.562 -6.623 1.00 0.00 O ATOM 264 OE2 GLU A 16 -13.035 5.077 -8.445 1.00 0.00 O ATOM 0 H GLU A 16 -10.246 4.719 -4.422 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.977 2.521 -3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.362 3.081 -5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.056 4.528 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.366 5.275 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.494 3.774 -6.959 1.00 0.00 H new ATOM 271 N VAL A 17 -11.124 0.741 -5.007 1.00 0.00 N ATOM 272 CA VAL A 17 -10.523 -0.328 -5.800 1.00 0.00 C ATOM 273 C VAL A 17 -11.555 -1.404 -6.137 1.00 0.00 C ATOM 274 O VAL A 17 -12.733 -1.266 -5.808 1.00 0.00 O ATOM 275 CB VAL A 17 -9.324 -0.981 -5.070 1.00 0.00 C ATOM 276 CG1 VAL A 17 -8.141 -1.128 -6.015 1.00 0.00 C ATOM 277 CG2 VAL A 17 -8.926 -0.176 -3.839 1.00 0.00 C ATOM 0 H VAL A 17 -11.783 0.422 -4.297 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.161 0.129 -6.721 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.631 -1.973 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.307 -1.589 -5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.426 -1.756 -6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.841 -0.145 -6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.082 -0.658 -3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.643 0.833 -4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.768 -0.126 -3.149 1.00 0.00 H new ATOM 287 N GLU A 18 -11.112 -2.476 -6.794 1.00 0.00 N ATOM 288 CA GLU A 18 -12.007 -3.564 -7.170 1.00 0.00 C ATOM 289 C GLU A 18 -11.841 -4.756 -6.229 1.00 0.00 C ATOM 290 O GLU A 18 -10.829 -4.874 -5.539 1.00 0.00 O ATOM 291 CB GLU A 18 -11.739 -3.998 -8.611 1.00 0.00 C ATOM 292 CG GLU A 18 -10.350 -4.577 -8.824 1.00 0.00 C ATOM 293 CD GLU A 18 -10.189 -5.223 -10.187 1.00 0.00 C ATOM 294 OE1 GLU A 18 -11.014 -6.093 -10.533 1.00 0.00 O ATOM 295 OE2 GLU A 18 -9.236 -4.857 -10.908 1.00 0.00 O ATOM 0 H GLU A 18 -10.141 -2.612 -7.075 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.032 -3.201 -7.091 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.482 -4.741 -8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.871 -3.140 -9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.609 -3.785 -8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.146 -5.316 -8.049 1.00 0.00 H new ATOM 302 N PRO A 19 -12.837 -5.656 -6.190 1.00 0.00 N ATOM 303 CA PRO A 19 -12.794 -6.841 -5.328 1.00 0.00 C ATOM 304 C PRO A 19 -11.522 -7.661 -5.529 1.00 0.00 C ATOM 305 O PRO A 19 -10.842 -8.011 -4.564 1.00 0.00 O ATOM 306 CB PRO A 19 -14.022 -7.646 -5.762 1.00 0.00 C ATOM 307 CG PRO A 19 -14.951 -6.638 -6.344 1.00 0.00 C ATOM 308 CD PRO A 19 -14.081 -5.591 -6.981 1.00 0.00 C ATOM 0 HA PRO A 19 -12.796 -6.573 -4.271 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.757 -8.409 -6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.477 -8.161 -4.916 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.612 -7.096 -7.080 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.586 -6.201 -5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.900 -5.805 -8.034 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.538 -4.603 -6.931 1.00 0.00 H new ATOM 316 N SER A 20 -11.203 -7.972 -6.787 1.00 0.00 N ATOM 317 CA SER A 20 -10.010 -8.758 -7.104 1.00 0.00 C ATOM 318 C SER A 20 -8.776 -7.877 -7.338 1.00 0.00 C ATOM 319 O SER A 20 -7.908 -8.228 -8.136 1.00 0.00 O ATOM 320 CB SER A 20 -10.262 -9.628 -8.339 1.00 0.00 C ATOM 321 OG SER A 20 -9.200 -10.544 -8.543 1.00 0.00 O ATOM 0 H SER A 20 -11.752 -7.693 -7.600 1.00 0.00 H new ATOM 0 HA SER A 20 -9.806 -9.390 -6.240 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.198 -10.173 -8.219 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.373 -8.993 -9.218 1.00 0.00 H new ATOM 0 HG SER A 20 -8.344 -10.069 -8.493 1.00 0.00 H new ATOM 327 N ASP A 21 -8.688 -6.738 -6.646 1.00 0.00 N ATOM 328 CA ASP A 21 -7.544 -5.843 -6.806 1.00 0.00 C ATOM 329 C ASP A 21 -6.310 -6.401 -6.099 1.00 0.00 C ATOM 330 O ASP A 21 -6.319 -6.598 -4.884 1.00 0.00 O ATOM 331 CB ASP A 21 -7.868 -4.452 -6.258 1.00 0.00 C ATOM 332 CG ASP A 21 -8.177 -4.474 -4.772 1.00 0.00 C ATOM 333 OD1 ASP A 21 -8.755 -5.477 -4.301 1.00 0.00 O ATOM 334 OD2 ASP A 21 -7.842 -3.489 -4.081 1.00 0.00 O ATOM 0 H ASP A 21 -9.388 -6.418 -5.977 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.330 -5.765 -7.872 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.024 -3.787 -6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.721 -4.041 -6.798 1.00 0.00 H new ATOM 339 N THR A 22 -5.247 -6.653 -6.863 1.00 0.00 N ATOM 340 CA THR A 22 -4.012 -7.183 -6.291 1.00 0.00 C ATOM 341 C THR A 22 -3.137 -6.055 -5.749 1.00 0.00 C ATOM 342 O THR A 22 -3.372 -4.882 -6.041 1.00 0.00 O ATOM 343 CB THR A 22 -3.239 -8.001 -7.330 1.00 0.00 C ATOM 344 OG1 THR A 22 -2.128 -8.645 -6.735 1.00 0.00 O ATOM 345 CG2 THR A 22 -2.722 -7.175 -8.489 1.00 0.00 C ATOM 0 H THR A 22 -5.217 -6.500 -7.871 1.00 0.00 H new ATOM 0 HA THR A 22 -4.281 -7.840 -5.464 1.00 0.00 H new ATOM 0 HB THR A 22 -3.958 -8.723 -7.716 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.338 -8.866 -5.804 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.185 -7.820 -9.185 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.560 -6.705 -9.003 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.048 -6.405 -8.115 1.00 0.00 H new ATOM 353 N ILE A 23 -2.130 -6.412 -4.954 1.00 0.00 N ATOM 354 CA ILE A 23 -1.229 -5.421 -4.370 1.00 0.00 C ATOM 355 C ILE A 23 -0.542 -4.579 -5.447 1.00 0.00 C ATOM 356 O ILE A 23 -0.342 -3.378 -5.269 1.00 0.00 O ATOM 357 CB ILE A 23 -0.152 -6.083 -3.484 1.00 0.00 C ATOM 358 CG1 ILE A 23 0.671 -5.017 -2.760 1.00 0.00 C ATOM 359 CG2 ILE A 23 0.749 -6.982 -4.317 1.00 0.00 C ATOM 360 CD1 ILE A 23 -0.149 -4.146 -1.833 1.00 0.00 C ATOM 0 H ILE A 23 -1.918 -7.377 -4.700 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.848 -4.771 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.651 -6.700 -2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.458 -5.505 -2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.162 -4.385 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.501 -7.439 -3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.150 -7.762 -4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.242 -6.389 -5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.500 -3.413 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.919 -3.629 -2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.619 -4.768 -1.071 1.00 0.00 H new ATOM 372 N GLU A 24 -0.178 -5.211 -6.562 1.00 0.00 N ATOM 373 CA GLU A 24 0.492 -4.504 -7.653 1.00 0.00 C ATOM 374 C GLU A 24 -0.412 -3.427 -8.253 1.00 0.00 C ATOM 375 O GLU A 24 0.044 -2.324 -8.556 1.00 0.00 O ATOM 376 CB GLU A 24 0.928 -5.486 -8.745 1.00 0.00 C ATOM 377 CG GLU A 24 2.277 -5.151 -9.361 1.00 0.00 C ATOM 378 CD GLU A 24 3.142 -6.379 -9.574 1.00 0.00 C ATOM 379 OE1 GLU A 24 2.679 -7.321 -10.250 1.00 0.00 O ATOM 380 OE2 GLU A 24 4.282 -6.398 -9.064 1.00 0.00 O ATOM 0 H GLU A 24 -0.334 -6.204 -6.733 1.00 0.00 H new ATOM 0 HA GLU A 24 1.375 -4.019 -7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.970 -6.490 -8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.173 -5.501 -9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.122 -4.650 -10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.803 -4.448 -8.715 1.00 0.00 H new ATOM 387 N ASN A 25 -1.693 -3.751 -8.430 1.00 0.00 N ATOM 388 CA ASN A 25 -2.647 -2.802 -9.002 1.00 0.00 C ATOM 389 C ASN A 25 -2.996 -1.700 -8.002 1.00 0.00 C ATOM 390 O ASN A 25 -2.977 -0.517 -8.341 1.00 0.00 O ATOM 391 CB ASN A 25 -3.923 -3.522 -9.450 1.00 0.00 C ATOM 392 CG ASN A 25 -4.413 -3.042 -10.804 1.00 0.00 C ATOM 393 OD1 ASN A 25 -5.394 -2.305 -10.893 1.00 0.00 O ATOM 394 ND2 ASN A 25 -3.731 -3.456 -11.871 1.00 0.00 N ATOM 0 H ASN A 25 -2.092 -4.658 -8.187 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.175 -2.343 -9.871 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.735 -4.595 -9.494 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.705 -3.365 -8.707 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.017 -3.162 -12.805 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.923 -4.067 -11.754 1.00 0.00 H new ATOM 401 N VAL A 26 -3.316 -2.091 -6.769 1.00 0.00 N ATOM 402 CA VAL A 26 -3.668 -1.123 -5.732 1.00 0.00 C ATOM 403 C VAL A 26 -2.491 -0.203 -5.393 1.00 0.00 C ATOM 404 O VAL A 26 -2.690 0.890 -4.862 1.00 0.00 O ATOM 405 CB VAL A 26 -4.155 -1.817 -4.442 1.00 0.00 C ATOM 406 CG1 VAL A 26 -3.036 -2.629 -3.808 1.00 0.00 C ATOM 407 CG2 VAL A 26 -4.701 -0.792 -3.459 1.00 0.00 C ATOM 0 H VAL A 26 -3.339 -3.065 -6.465 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.482 -0.523 -6.140 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.960 -2.502 -4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.403 -3.108 -2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.697 -3.391 -4.510 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.204 -1.970 -3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.040 -1.299 -2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.917 -0.080 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.538 -0.262 -3.913 1.00 0.00 H new ATOM 417 N LYS A 27 -1.267 -0.640 -5.700 1.00 0.00 N ATOM 418 CA LYS A 27 -0.080 0.167 -5.416 1.00 0.00 C ATOM 419 C LYS A 27 -0.193 1.550 -6.061 1.00 0.00 C ATOM 420 O LYS A 27 0.266 2.542 -5.496 1.00 0.00 O ATOM 421 CB LYS A 27 1.184 -0.536 -5.919 1.00 0.00 C ATOM 422 CG LYS A 27 1.790 -1.497 -4.908 1.00 0.00 C ATOM 423 CD LYS A 27 3.253 -1.180 -4.640 1.00 0.00 C ATOM 424 CE LYS A 27 3.436 -0.460 -3.314 1.00 0.00 C ATOM 425 NZ LYS A 27 2.913 0.934 -3.364 1.00 0.00 N ATOM 0 H LYS A 27 -1.074 -1.539 -6.141 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.012 0.289 -4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.946 -1.084 -6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.927 0.216 -6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.229 -1.445 -3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.700 -2.519 -5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.831 -2.104 -4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.646 -0.562 -5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.923 -1.012 -2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.494 -0.442 -3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.541 1.560 -2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.875 1.255 -4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.958 0.961 -2.954 1.00 0.00 H new ATOM 439 N ALA A 28 -0.813 1.614 -7.241 1.00 0.00 N ATOM 440 CA ALA A 28 -0.982 2.887 -7.940 1.00 0.00 C ATOM 441 C ALA A 28 -1.742 3.889 -7.071 1.00 0.00 C ATOM 442 O ALA A 28 -1.436 5.081 -7.075 1.00 0.00 O ATOM 443 CB ALA A 28 -1.705 2.680 -9.264 1.00 0.00 C ATOM 0 H ALA A 28 -1.203 0.807 -7.728 1.00 0.00 H new ATOM 0 HA ALA A 28 0.009 3.293 -8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.821 3.639 -9.769 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.125 2.006 -9.894 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.688 2.247 -9.078 1.00 0.00 H new ATOM 449 N LYS A 29 -2.731 3.398 -6.322 1.00 0.00 N ATOM 450 CA LYS A 29 -3.521 4.260 -5.447 1.00 0.00 C ATOM 451 C LYS A 29 -2.714 4.671 -4.215 1.00 0.00 C ATOM 452 O LYS A 29 -2.810 5.808 -3.753 1.00 0.00 O ATOM 453 CB LYS A 29 -4.810 3.555 -5.014 1.00 0.00 C ATOM 454 CG LYS A 29 -5.855 3.470 -6.115 1.00 0.00 C ATOM 455 CD LYS A 29 -5.875 2.093 -6.760 1.00 0.00 C ATOM 456 CE LYS A 29 -6.129 2.182 -8.256 1.00 0.00 C ATOM 457 NZ LYS A 29 -6.195 0.836 -8.889 1.00 0.00 N ATOM 0 H LYS A 29 -3.001 2.415 -6.305 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.782 5.157 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.568 2.548 -4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.235 4.084 -4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.839 3.694 -5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.648 4.225 -6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.924 1.592 -6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.649 1.483 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.064 2.713 -8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.336 2.765 -8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.369 0.940 -9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.294 0.338 -8.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.968 0.288 -8.460 1.00 0.00 H new ATOM 471 N ILE A 30 -1.912 3.744 -3.687 1.00 0.00 N ATOM 472 CA ILE A 30 -1.092 4.028 -2.514 1.00 0.00 C ATOM 473 C ILE A 30 -0.044 5.092 -2.835 1.00 0.00 C ATOM 474 O ILE A 30 0.155 6.031 -2.063 1.00 0.00 O ATOM 475 CB ILE A 30 -0.381 2.760 -1.987 1.00 0.00 C ATOM 476 CG1 ILE A 30 -1.395 1.639 -1.738 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.393 3.070 -0.713 1.00 0.00 C ATOM 478 CD1 ILE A 30 -2.560 2.057 -0.866 1.00 0.00 C ATOM 0 H ILE A 30 -1.815 2.797 -4.052 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.765 4.394 -1.738 1.00 0.00 H new ATOM 0 HB ILE A 30 0.326 2.424 -2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.777 1.287 -2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.885 0.797 -1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.886 2.165 -0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.142 3.835 -0.919 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.294 3.432 0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.236 1.213 -0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.189 2.381 0.106 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.095 2.879 -1.343 1.00 0.00 H new ATOM 490 N GLN A 31 0.618 4.946 -3.981 1.00 0.00 N ATOM 491 CA GLN A 31 1.637 5.907 -4.401 1.00 0.00 C ATOM 492 C GLN A 31 1.041 7.309 -4.545 1.00 0.00 C ATOM 493 O GLN A 31 1.750 8.307 -4.405 1.00 0.00 O ATOM 494 CB GLN A 31 2.275 5.474 -5.724 1.00 0.00 C ATOM 495 CG GLN A 31 1.280 5.332 -6.863 1.00 0.00 C ATOM 496 CD GLN A 31 1.957 5.212 -8.218 1.00 0.00 C ATOM 497 OE1 GLN A 31 1.648 5.964 -9.143 1.00 0.00 O ATOM 498 NE2 GLN A 31 2.884 4.266 -8.344 1.00 0.00 N ATOM 0 H GLN A 31 0.469 4.176 -4.633 1.00 0.00 H new ATOM 0 HA GLN A 31 2.407 5.934 -3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.036 6.202 -6.006 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.784 4.522 -5.577 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.660 4.452 -6.691 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.614 6.195 -6.869 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.110 3.664 -7.552 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.369 4.142 -9.233 1.00 0.00 H new ATOM 507 N ASP A 32 -0.263 7.383 -4.823 1.00 0.00 N ATOM 508 CA ASP A 32 -0.942 8.670 -4.981 1.00 0.00 C ATOM 509 C ASP A 32 -0.787 9.549 -3.735 1.00 0.00 C ATOM 510 O ASP A 32 -0.909 10.771 -3.819 1.00 0.00 O ATOM 511 CB ASP A 32 -2.430 8.460 -5.278 1.00 0.00 C ATOM 512 CG ASP A 32 -2.970 9.472 -6.270 1.00 0.00 C ATOM 513 OD1 ASP A 32 -2.765 10.684 -6.052 1.00 0.00 O ATOM 514 OD2 ASP A 32 -3.598 9.051 -7.265 1.00 0.00 O ATOM 0 H ASP A 32 -0.867 6.570 -4.943 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.472 9.182 -5.821 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.581 7.454 -5.670 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.996 8.528 -4.349 1.00 0.00 H new ATOM 519 N LYS A 33 -0.522 8.934 -2.579 1.00 0.00 N ATOM 520 CA LYS A 33 -0.361 9.690 -1.340 1.00 0.00 C ATOM 521 C LYS A 33 0.981 10.416 -1.315 1.00 0.00 C ATOM 522 O LYS A 33 1.069 11.556 -0.856 1.00 0.00 O ATOM 523 CB LYS A 33 -0.471 8.764 -0.125 1.00 0.00 C ATOM 524 CG LYS A 33 -1.861 8.183 0.075 1.00 0.00 C ATOM 525 CD LYS A 33 -1.931 7.320 1.324 1.00 0.00 C ATOM 526 CE LYS A 33 -0.957 6.155 1.253 1.00 0.00 C ATOM 527 NZ LYS A 33 0.345 6.478 1.898 1.00 0.00 N ATOM 0 H LYS A 33 -0.416 7.925 -2.478 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.160 10.430 -1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.242 7.947 -0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.186 9.317 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.587 8.992 0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.136 7.588 -0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.708 7.928 2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.945 6.940 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.397 5.284 1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.788 5.886 0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.123 6.220 1.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.388 7.497 2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.435 5.943 2.785 1.00 0.00 H new ATOM 541 N GLU A 34 2.026 9.759 -1.815 1.00 0.00 N ATOM 542 CA GLU A 34 3.355 10.361 -1.846 1.00 0.00 C ATOM 543 C GLU A 34 4.128 9.933 -3.094 1.00 0.00 C ATOM 544 O GLU A 34 4.698 10.772 -3.792 1.00 0.00 O ATOM 545 CB GLU A 34 4.146 9.995 -0.585 1.00 0.00 C ATOM 546 CG GLU A 34 4.024 8.535 -0.176 1.00 0.00 C ATOM 547 CD GLU A 34 5.283 7.742 -0.466 1.00 0.00 C ATOM 548 OE1 GLU A 34 5.935 8.017 -1.495 1.00 0.00 O ATOM 549 OE2 GLU A 34 5.618 6.845 0.337 1.00 0.00 O ATOM 0 H GLU A 34 1.978 8.816 -2.201 1.00 0.00 H new ATOM 0 HA GLU A 34 3.226 11.443 -1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.198 10.228 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.805 10.622 0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.800 8.477 0.889 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.184 8.083 -0.703 1.00 0.00 H new ATOM 556 N GLY A 35 4.148 8.631 -3.374 1.00 0.00 N ATOM 557 CA GLY A 35 4.860 8.137 -4.536 1.00 0.00 C ATOM 558 C GLY A 35 6.115 7.379 -4.154 1.00 0.00 C ATOM 559 O GLY A 35 7.220 7.791 -4.499 1.00 0.00 O ATOM 0 H GLY A 35 3.684 7.913 -2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.204 7.485 -5.113 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.125 8.974 -5.182 1.00 0.00 H new ATOM 563 N ILE A 36 5.943 6.273 -3.430 1.00 0.00 N ATOM 564 CA ILE A 36 7.077 5.460 -2.990 1.00 0.00 C ATOM 565 C ILE A 36 7.605 4.573 -4.123 1.00 0.00 C ATOM 566 O ILE A 36 6.954 3.607 -4.520 1.00 0.00 O ATOM 567 CB ILE A 36 6.696 4.569 -1.787 1.00 0.00 C ATOM 568 CG1 ILE A 36 7.923 3.815 -1.270 1.00 0.00 C ATOM 569 CG2 ILE A 36 5.589 3.595 -2.166 1.00 0.00 C ATOM 570 CD1 ILE A 36 7.748 3.262 0.127 1.00 0.00 C ATOM 0 H ILE A 36 5.032 5.920 -3.136 1.00 0.00 H new ATOM 0 HA ILE A 36 7.861 6.154 -2.688 1.00 0.00 H new ATOM 0 HB ILE A 36 6.324 5.212 -0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.149 2.995 -1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.783 4.485 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.337 2.978 -1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.708 4.152 -2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.929 2.957 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.656 2.740 0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.552 4.080 0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.909 2.567 0.141 1.00 0.00 H new ATOM 582 N PRO A 37 8.795 4.899 -4.667 1.00 0.00 N ATOM 583 CA PRO A 37 9.403 4.135 -5.767 1.00 0.00 C ATOM 584 C PRO A 37 9.756 2.685 -5.406 1.00 0.00 C ATOM 585 O PRO A 37 9.573 1.785 -6.226 1.00 0.00 O ATOM 586 CB PRO A 37 10.683 4.918 -6.093 1.00 0.00 C ATOM 587 CG PRO A 37 10.487 6.265 -5.488 1.00 0.00 C ATOM 588 CD PRO A 37 9.636 6.046 -4.274 1.00 0.00 C ATOM 0 HA PRO A 37 8.703 4.043 -6.597 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.562 4.425 -5.678 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.837 4.989 -7.170 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.442 6.716 -5.220 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.000 6.942 -6.190 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.238 5.823 -3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.036 6.925 -4.036 1.00 0.00 H new ATOM 596 N PRO A 38 10.292 2.427 -4.193 1.00 0.00 N ATOM 597 CA PRO A 38 10.683 1.071 -3.787 1.00 0.00 C ATOM 598 C PRO A 38 9.496 0.127 -3.588 1.00 0.00 C ATOM 599 O PRO A 38 8.514 0.471 -2.931 1.00 0.00 O ATOM 600 CB PRO A 38 11.426 1.283 -2.466 1.00 0.00 C ATOM 601 CG PRO A 38 10.920 2.580 -1.942 1.00 0.00 C ATOM 602 CD PRO A 38 10.583 3.420 -3.142 1.00 0.00 C ATOM 0 HA PRO A 38 11.283 0.591 -4.560 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.227 0.471 -1.767 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.505 1.314 -2.621 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.042 2.429 -1.314 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.673 3.070 -1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.725 4.065 -2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.413 4.069 -3.423 1.00 0.00 H new ATOM 610 N ASP A 39 9.613 -1.077 -4.155 1.00 0.00 N ATOM 611 CA ASP A 39 8.581 -2.108 -4.048 1.00 0.00 C ATOM 612 C ASP A 39 8.487 -2.699 -2.634 1.00 0.00 C ATOM 613 O ASP A 39 7.865 -3.745 -2.446 1.00 0.00 O ATOM 614 CB ASP A 39 8.841 -3.231 -5.056 1.00 0.00 C ATOM 615 CG ASP A 39 7.638 -4.137 -5.234 1.00 0.00 C ATOM 616 OD1 ASP A 39 6.569 -3.633 -5.640 1.00 0.00 O ATOM 617 OD2 ASP A 39 7.765 -5.351 -4.969 1.00 0.00 O ATOM 0 H ASP A 39 10.426 -1.363 -4.701 1.00 0.00 H new ATOM 0 HA ASP A 39 7.629 -1.625 -4.269 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.111 -2.796 -6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.693 -3.824 -4.724 1.00 0.00 H new ATOM 622 N GLN A 40 9.090 -2.043 -1.640 1.00 0.00 N ATOM 623 CA GLN A 40 9.036 -2.542 -0.273 1.00 0.00 C ATOM 624 C GLN A 40 7.813 -1.985 0.453 1.00 0.00 C ATOM 625 O GLN A 40 7.597 -2.279 1.629 1.00 0.00 O ATOM 626 CB GLN A 40 10.312 -2.167 0.487 1.00 0.00 C ATOM 627 CG GLN A 40 11.563 -2.836 -0.055 1.00 0.00 C ATOM 628 CD GLN A 40 12.811 -2.462 0.727 1.00 0.00 C ATOM 629 OE1 GLN A 40 13.470 -3.323 1.310 1.00 0.00 O ATOM 630 NE2 GLN A 40 13.144 -1.173 0.746 1.00 0.00 N ATOM 0 H GLN A 40 9.614 -1.176 -1.758 1.00 0.00 H new ATOM 0 HA GLN A 40 8.957 -3.628 -0.310 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.443 -1.086 0.448 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.192 -2.436 1.536 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.433 -3.918 -0.028 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.696 -2.557 -1.100 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.571 -0.491 0.250 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.972 -0.868 1.257 1.00 0.00 H new ATOM 639 N GLN A 41 7.004 -1.191 -0.254 1.00 0.00 N ATOM 640 CA GLN A 41 5.797 -0.623 0.341 1.00 0.00 C ATOM 641 C GLN A 41 4.657 -1.638 0.286 1.00 0.00 C ATOM 642 O GLN A 41 4.044 -1.835 -0.763 1.00 0.00 O ATOM 643 CB GLN A 41 5.389 0.662 -0.387 1.00 0.00 C ATOM 644 CG GLN A 41 4.127 1.304 0.168 1.00 0.00 C ATOM 645 CD GLN A 41 4.423 2.479 1.081 1.00 0.00 C ATOM 646 OE1 GLN A 41 5.279 2.392 1.962 1.00 0.00 O ATOM 647 NE2 GLN A 41 3.714 3.590 0.881 1.00 0.00 N ATOM 0 H GLN A 41 7.162 -0.931 -1.227 1.00 0.00 H new ATOM 0 HA GLN A 41 6.008 -0.380 1.382 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.208 1.379 -0.327 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.238 0.439 -1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.501 1.640 -0.659 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.555 0.556 0.718 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.014 3.622 0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.872 4.408 1.469 1.00 0.00 H new ATOM 656 N ARG A 42 4.382 -2.292 1.415 1.00 0.00 N ATOM 657 CA ARG A 42 3.322 -3.293 1.474 1.00 0.00 C ATOM 658 C ARG A 42 2.443 -3.099 2.709 1.00 0.00 C ATOM 659 O ARG A 42 2.687 -2.207 3.521 1.00 0.00 O ATOM 660 CB ARG A 42 3.926 -4.700 1.478 1.00 0.00 C ATOM 661 CG ARG A 42 4.777 -5.001 0.254 1.00 0.00 C ATOM 662 CD ARG A 42 6.255 -5.086 0.606 1.00 0.00 C ATOM 663 NE ARG A 42 6.546 -6.188 1.525 1.00 0.00 N ATOM 664 CZ ARG A 42 7.760 -6.710 1.693 1.00 0.00 C ATOM 665 NH1 ARG A 42 8.795 -6.235 1.010 1.00 0.00 N ATOM 666 NH2 ARG A 42 7.941 -7.708 2.548 1.00 0.00 N ATOM 0 H ARG A 42 4.877 -2.146 2.295 1.00 0.00 H new ATOM 0 HA ARG A 42 2.696 -3.171 0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.536 -4.822 2.373 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.121 -5.432 1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.454 -5.942 -0.192 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.625 -4.224 -0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.837 -5.214 -0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.573 -4.146 1.057 1.00 0.00 H new ATOM 0 HE ARG A 42 5.775 -6.578 2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.663 -5.466 0.353 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.722 -6.639 1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.150 -8.076 3.077 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.871 -8.107 2.676 1.00 0.00 H new ATOM 680 N LEU A 43 1.417 -3.940 2.842 1.00 0.00 N ATOM 681 CA LEU A 43 0.503 -3.857 3.974 1.00 0.00 C ATOM 682 C LEU A 43 0.743 -5.000 4.960 1.00 0.00 C ATOM 683 O LEU A 43 0.857 -6.159 4.561 1.00 0.00 O ATOM 684 CB LEU A 43 -0.945 -3.892 3.482 1.00 0.00 C ATOM 685 CG LEU A 43 -1.951 -3.169 4.377 1.00 0.00 C ATOM 686 CD1 LEU A 43 -1.738 -1.665 4.307 1.00 0.00 C ATOM 687 CD2 LEU A 43 -3.373 -3.529 3.974 1.00 0.00 C ATOM 0 H LEU A 43 1.201 -4.684 2.179 1.00 0.00 H new ATOM 0 HA LEU A 43 0.688 -2.915 4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.985 -3.450 2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.253 -4.933 3.382 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.794 -3.490 5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.462 -1.165 4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.729 -1.424 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.870 -1.326 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.078 -3.006 4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.543 -3.234 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.518 -4.605 4.074 1.00 0.00 H new ATOM 699 N ILE A 44 0.813 -4.669 6.249 1.00 0.00 N ATOM 700 CA ILE A 44 1.034 -5.675 7.283 1.00 0.00 C ATOM 701 C ILE A 44 -0.211 -5.857 8.151 1.00 0.00 C ATOM 702 O ILE A 44 -0.542 -4.995 8.966 1.00 0.00 O ATOM 703 CB ILE A 44 2.232 -5.315 8.186 1.00 0.00 C ATOM 704 CG1 ILE A 44 2.098 -3.886 8.722 1.00 0.00 C ATOM 705 CG2 ILE A 44 3.538 -5.475 7.421 1.00 0.00 C ATOM 706 CD1 ILE A 44 2.487 -3.750 10.178 1.00 0.00 C ATOM 0 H ILE A 44 0.720 -3.716 6.600 1.00 0.00 H new ATOM 0 HA ILE A 44 1.254 -6.609 6.766 1.00 0.00 H new ATOM 0 HB ILE A 44 2.239 -5.999 9.035 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.722 -3.222 8.124 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.067 -3.554 8.597 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.374 -5.217 8.071 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.641 -6.508 7.089 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.535 -4.814 6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.368 -2.713 10.491 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.847 -4.388 10.787 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.527 -4.051 10.306 1.00 0.00 H new ATOM 718 N PHE A 45 -0.900 -6.983 7.975 1.00 0.00 N ATOM 719 CA PHE A 45 -2.108 -7.266 8.747 1.00 0.00 C ATOM 720 C PHE A 45 -2.305 -8.771 8.928 1.00 0.00 C ATOM 721 O PHE A 45 -2.156 -9.542 7.979 1.00 0.00 O ATOM 722 CB PHE A 45 -3.332 -6.660 8.060 1.00 0.00 C ATOM 723 CG PHE A 45 -4.530 -6.546 8.959 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.688 -5.447 9.787 1.00 0.00 C ATOM 725 CD2 PHE A 45 -5.497 -7.538 8.975 1.00 0.00 C ATOM 726 CE1 PHE A 45 -5.789 -5.338 10.615 1.00 0.00 C ATOM 727 CE2 PHE A 45 -6.601 -7.435 9.801 1.00 0.00 C ATOM 728 CZ PHE A 45 -6.746 -6.334 10.622 1.00 0.00 C ATOM 0 H PHE A 45 -0.644 -7.711 7.308 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.990 -6.814 9.732 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.074 -5.670 7.684 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.593 -7.271 7.196 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.942 -4.666 9.786 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.387 -8.401 8.335 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.901 -4.476 11.255 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.349 -8.214 9.804 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.607 -6.252 11.269 1.00 0.00 H new ATOM 738 N ALA A 46 -2.642 -9.185 10.149 1.00 0.00 N ATOM 739 CA ALA A 46 -2.858 -10.598 10.443 1.00 0.00 C ATOM 740 C ALA A 46 -1.643 -11.437 10.048 1.00 0.00 C ATOM 741 O ALA A 46 -1.786 -12.551 9.544 1.00 0.00 O ATOM 742 CB ALA A 46 -4.103 -11.098 9.725 1.00 0.00 C ATOM 0 H ALA A 46 -2.771 -8.563 10.947 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.002 -10.703 11.518 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.254 -12.153 9.951 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.969 -10.527 10.059 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.978 -10.972 8.650 1.00 0.00 H new ATOM 748 N GLY A 47 -0.444 -10.897 10.278 1.00 0.00 N ATOM 749 CA GLY A 47 0.772 -11.613 9.935 1.00 0.00 C ATOM 750 C GLY A 47 0.793 -12.088 8.489 1.00 0.00 C ATOM 751 O GLY A 47 1.421 -13.099 8.176 1.00 0.00 O ATOM 0 H GLY A 47 -0.296 -9.978 10.695 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.631 -10.965 10.112 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.880 -12.473 10.596 1.00 0.00 H new ATOM 755 N LYS A 48 0.110 -11.361 7.602 1.00 0.00 N ATOM 756 CA LYS A 48 0.064 -11.725 6.192 1.00 0.00 C ATOM 757 C LYS A 48 0.844 -10.722 5.345 1.00 0.00 C ATOM 758 O LYS A 48 0.358 -9.627 5.063 1.00 0.00 O ATOM 759 CB LYS A 48 -1.385 -11.802 5.710 1.00 0.00 C ATOM 760 CG LYS A 48 -2.173 -12.944 6.333 1.00 0.00 C ATOM 761 CD LYS A 48 -3.620 -12.552 6.583 1.00 0.00 C ATOM 762 CE LYS A 48 -4.278 -13.469 7.600 1.00 0.00 C ATOM 763 NZ LYS A 48 -4.715 -14.754 6.990 1.00 0.00 N ATOM 0 H LYS A 48 -0.416 -10.520 7.838 1.00 0.00 H new ATOM 0 HA LYS A 48 0.528 -12.705 6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.885 -10.860 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.393 -11.915 4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.139 -13.812 5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.707 -13.238 7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.663 -11.523 6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.175 -12.589 5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.579 -13.672 8.411 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.139 -12.965 8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.159 -15.350 7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.402 -14.563 6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.890 -15.248 6.593 1.00 0.00 H new ATOM 777 N GLN A 49 2.056 -11.099 4.939 1.00 0.00 N ATOM 778 CA GLN A 49 2.891 -10.221 4.123 1.00 0.00 C ATOM 779 C GLN A 49 2.617 -10.436 2.637 1.00 0.00 C ATOM 780 O GLN A 49 3.249 -11.276 1.997 1.00 0.00 O ATOM 781 CB GLN A 49 4.373 -10.462 4.422 1.00 0.00 C ATOM 782 CG GLN A 49 4.869 -9.731 5.660 1.00 0.00 C ATOM 783 CD GLN A 49 6.273 -9.182 5.491 1.00 0.00 C ATOM 784 OE1 GLN A 49 7.158 -9.862 4.970 1.00 0.00 O ATOM 785 NE2 GLN A 49 6.492 -7.944 5.930 1.00 0.00 N ATOM 0 H GLN A 49 2.479 -12.001 5.160 1.00 0.00 H new ATOM 0 HA GLN A 49 2.642 -9.190 4.375 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.540 -11.531 4.550 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.965 -10.147 3.562 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.188 -8.912 5.891 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.849 -10.411 6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.733 -7.412 6.356 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.419 -7.528 5.840 1.00 0.00 H new ATOM 794 N LEU A 50 1.671 -9.672 2.090 1.00 0.00 N ATOM 795 CA LEU A 50 1.320 -9.785 0.676 1.00 0.00 C ATOM 796 C LEU A 50 2.333 -9.050 -0.204 1.00 0.00 C ATOM 797 O LEU A 50 1.997 -8.058 -0.854 1.00 0.00 O ATOM 798 CB LEU A 50 -0.089 -9.233 0.425 1.00 0.00 C ATOM 799 CG LEU A 50 -0.300 -7.776 0.846 1.00 0.00 C ATOM 800 CD1 LEU A 50 -0.967 -6.987 -0.270 1.00 0.00 C ATOM 801 CD2 LEU A 50 -1.129 -7.702 2.120 1.00 0.00 C ATOM 0 H LEU A 50 1.136 -8.971 2.603 1.00 0.00 H new ATOM 0 HA LEU A 50 1.339 -10.842 0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.314 -9.324 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.807 -9.857 0.958 1.00 0.00 H new ATOM 0 HG LEU A 50 0.676 -7.333 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.108 -5.954 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.336 -7.009 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.935 -7.431 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.268 -6.659 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.101 -8.164 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.612 -8.230 2.922 1.00 0.00 H new ATOM 813 N GLU A 51 3.574 -9.538 -0.226 1.00 0.00 N ATOM 814 CA GLU A 51 4.621 -8.919 -1.033 1.00 0.00 C ATOM 815 C GLU A 51 4.658 -9.517 -2.439 1.00 0.00 C ATOM 816 O GLU A 51 4.811 -8.794 -3.424 1.00 0.00 O ATOM 817 CB GLU A 51 5.987 -9.076 -0.356 1.00 0.00 C ATOM 818 CG GLU A 51 6.487 -10.512 -0.305 1.00 0.00 C ATOM 819 CD GLU A 51 7.872 -10.625 0.302 1.00 0.00 C ATOM 820 OE1 GLU A 51 8.741 -9.799 -0.048 1.00 0.00 O ATOM 821 OE2 GLU A 51 8.086 -11.537 1.127 1.00 0.00 O ATOM 0 H GLU A 51 3.876 -10.356 0.304 1.00 0.00 H new ATOM 0 HA GLU A 51 4.392 -7.857 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.717 -8.466 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.925 -8.687 0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.789 -11.116 0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.502 -10.924 -1.314 1.00 0.00 H new ATOM 828 N ASP A 52 4.520 -10.841 -2.530 1.00 0.00 N ATOM 829 CA ASP A 52 4.542 -11.529 -3.823 1.00 0.00 C ATOM 830 C ASP A 52 3.638 -10.829 -4.837 1.00 0.00 C ATOM 831 O ASP A 52 4.117 -10.232 -5.799 1.00 0.00 O ATOM 832 CB ASP A 52 4.111 -12.991 -3.664 1.00 0.00 C ATOM 833 CG ASP A 52 5.174 -13.838 -2.994 1.00 0.00 C ATOM 834 OD1 ASP A 52 5.462 -13.598 -1.802 1.00 0.00 O ATOM 835 OD2 ASP A 52 5.719 -14.743 -3.661 1.00 0.00 O ATOM 0 H ASP A 52 4.392 -11.457 -1.727 1.00 0.00 H new ATOM 0 HA ASP A 52 5.566 -11.499 -4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.193 -13.034 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.883 -13.408 -4.645 1.00 0.00 H new ATOM 840 N GLY A 53 2.326 -10.907 -4.615 1.00 0.00 N ATOM 841 CA GLY A 53 1.384 -10.274 -5.522 1.00 0.00 C ATOM 842 C GLY A 53 -0.007 -10.878 -5.437 1.00 0.00 C ATOM 843 O GLY A 53 -0.550 -11.338 -6.442 1.00 0.00 O ATOM 0 H GLY A 53 1.901 -11.395 -3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.328 -9.209 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.753 -10.364 -6.544 1.00 0.00 H new ATOM 847 N ARG A 54 -0.586 -10.879 -4.237 1.00 0.00 N ATOM 848 CA ARG A 54 -1.920 -11.434 -4.036 1.00 0.00 C ATOM 849 C ARG A 54 -2.949 -10.321 -3.843 1.00 0.00 C ATOM 850 O ARG A 54 -2.599 -9.142 -3.820 1.00 0.00 O ATOM 851 CB ARG A 54 -1.926 -12.368 -2.824 1.00 0.00 C ATOM 852 CG ARG A 54 -0.896 -13.483 -2.910 1.00 0.00 C ATOM 853 CD ARG A 54 -1.088 -14.326 -4.163 1.00 0.00 C ATOM 854 NE ARG A 54 0.060 -14.246 -5.068 1.00 0.00 N ATOM 855 CZ ARG A 54 -0.002 -14.520 -6.371 1.00 0.00 C ATOM 856 NH1 ARG A 54 -1.149 -14.897 -6.923 1.00 0.00 N ATOM 857 NH2 ARG A 54 1.085 -14.419 -7.124 1.00 0.00 N ATOM 0 H ARG A 54 -0.153 -10.503 -3.394 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.190 -12.002 -4.926 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.741 -11.782 -1.924 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.918 -12.808 -2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.106 -13.054 -2.909 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.972 -14.119 -2.028 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.251 -15.365 -3.878 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.985 -13.995 -4.687 1.00 0.00 H new ATOM 0 HE ARG A 54 0.960 -13.964 -4.679 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.989 -14.978 -6.350 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.191 -15.105 -7.921 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.970 -14.131 -6.706 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.036 -14.629 -8.121 1.00 0.00 H new ATOM 871 N THR A 55 -4.218 -10.701 -3.701 1.00 0.00 N ATOM 872 CA THR A 55 -5.286 -9.726 -3.510 1.00 0.00 C ATOM 873 C THR A 55 -5.656 -9.607 -2.033 1.00 0.00 C ATOM 874 O THR A 55 -5.449 -10.539 -1.256 1.00 0.00 O ATOM 875 CB THR A 55 -6.520 -10.111 -4.328 1.00 0.00 C ATOM 876 OG1 THR A 55 -7.553 -9.156 -4.159 1.00 0.00 O ATOM 877 CG2 THR A 55 -7.085 -11.466 -3.961 1.00 0.00 C ATOM 0 H THR A 55 -4.529 -11.672 -3.715 1.00 0.00 H new ATOM 0 HA THR A 55 -4.922 -8.759 -3.856 1.00 0.00 H new ATOM 0 HB THR A 55 -6.179 -10.146 -5.363 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.219 -8.266 -4.398 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.958 -11.676 -4.579 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.329 -12.233 -4.129 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.376 -11.467 -2.910 1.00 0.00 H new ATOM 885 N LEU A 56 -6.201 -8.454 -1.650 1.00 0.00 N ATOM 886 CA LEU A 56 -6.593 -8.219 -0.263 1.00 0.00 C ATOM 887 C LEU A 56 -7.627 -9.246 0.197 1.00 0.00 C ATOM 888 O LEU A 56 -7.507 -9.816 1.282 1.00 0.00 O ATOM 889 CB LEU A 56 -7.158 -6.804 -0.096 1.00 0.00 C ATOM 890 CG LEU A 56 -6.179 -5.674 -0.431 1.00 0.00 C ATOM 891 CD1 LEU A 56 -6.650 -4.902 -1.655 1.00 0.00 C ATOM 892 CD2 LEU A 56 -6.014 -4.737 0.758 1.00 0.00 C ATOM 0 H LEU A 56 -6.380 -7.671 -2.278 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.702 -8.323 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.038 -6.703 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.493 -6.681 0.934 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.210 -6.118 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.941 -4.104 -1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.715 -5.577 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.632 -4.471 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.315 -3.941 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.980 -4.302 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.629 -5.296 1.611 1.00 0.00 H new ATOM 904 N SER A 57 -8.646 -9.474 -0.630 1.00 0.00 N ATOM 905 CA SER A 57 -9.703 -10.430 -0.297 1.00 0.00 C ATOM 906 C SER A 57 -9.126 -11.799 0.066 1.00 0.00 C ATOM 907 O SER A 57 -9.618 -12.465 0.977 1.00 0.00 O ATOM 908 CB SER A 57 -10.685 -10.573 -1.464 1.00 0.00 C ATOM 909 OG SER A 57 -11.478 -11.738 -1.325 1.00 0.00 O ATOM 0 H SER A 57 -8.763 -9.012 -1.532 1.00 0.00 H new ATOM 0 HA SER A 57 -10.233 -10.042 0.573 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.329 -9.695 -1.511 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.134 -10.615 -2.404 1.00 0.00 H new ATOM 0 HG SER A 57 -12.097 -11.805 -2.082 1.00 0.00 H new ATOM 915 N ASP A 58 -8.085 -12.222 -0.652 1.00 0.00 N ATOM 916 CA ASP A 58 -7.457 -13.519 -0.394 1.00 0.00 C ATOM 917 C ASP A 58 -7.044 -13.665 1.073 1.00 0.00 C ATOM 918 O ASP A 58 -7.024 -14.776 1.605 1.00 0.00 O ATOM 919 CB ASP A 58 -6.235 -13.717 -1.299 1.00 0.00 C ATOM 920 CG ASP A 58 -5.567 -15.063 -1.085 1.00 0.00 C ATOM 921 OD1 ASP A 58 -6.219 -15.966 -0.522 1.00 0.00 O ATOM 922 OD2 ASP A 58 -4.392 -15.211 -1.482 1.00 0.00 O ATOM 0 H ASP A 58 -7.661 -11.690 -1.412 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.198 -14.287 -0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.540 -13.628 -2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.513 -12.922 -1.109 1.00 0.00 H new ATOM 927 N TYR A 59 -6.708 -12.551 1.726 1.00 0.00 N ATOM 928 CA TYR A 59 -6.296 -12.589 3.126 1.00 0.00 C ATOM 929 C TYR A 59 -7.425 -12.142 4.058 1.00 0.00 C ATOM 930 O TYR A 59 -7.188 -11.435 5.036 1.00 0.00 O ATOM 931 CB TYR A 59 -5.059 -11.714 3.336 1.00 0.00 C ATOM 932 CG TYR A 59 -3.759 -12.429 3.041 1.00 0.00 C ATOM 933 CD1 TYR A 59 -3.528 -13.714 3.518 1.00 0.00 C ATOM 934 CD2 TYR A 59 -2.765 -11.822 2.283 1.00 0.00 C ATOM 935 CE1 TYR A 59 -2.343 -14.372 3.250 1.00 0.00 C ATOM 936 CE2 TYR A 59 -1.577 -12.476 2.010 1.00 0.00 C ATOM 937 CZ TYR A 59 -1.372 -13.749 2.495 1.00 0.00 C ATOM 938 OH TYR A 59 -0.191 -14.403 2.226 1.00 0.00 O ATOM 0 H TYR A 59 -6.713 -11.620 1.310 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.051 -13.622 3.373 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.134 -10.834 2.698 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.044 -11.360 4.367 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.287 -14.206 4.108 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.922 -10.824 1.901 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.178 -15.369 3.630 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.814 -11.991 1.419 1.00 0.00 H new ATOM 0 HH TYR A 59 0.385 -13.827 1.682 1.00 0.00 H new ATOM 948 N ASN A 60 -8.653 -12.568 3.755 1.00 0.00 N ATOM 949 CA ASN A 60 -9.813 -12.222 4.571 1.00 0.00 C ATOM 950 C ASN A 60 -9.959 -10.707 4.751 1.00 0.00 C ATOM 951 O ASN A 60 -10.521 -10.253 5.748 1.00 0.00 O ATOM 952 CB ASN A 60 -9.711 -12.897 5.940 1.00 0.00 C ATOM 953 CG ASN A 60 -11.047 -13.437 6.420 1.00 0.00 C ATOM 954 OD1 ASN A 60 -11.927 -12.674 6.819 1.00 0.00 O ATOM 955 ND2 ASN A 60 -11.209 -14.758 6.385 1.00 0.00 N ATOM 0 H ASN A 60 -8.867 -13.154 2.948 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.699 -12.581 4.047 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.990 -13.713 5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.329 -12.181 6.668 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.088 -15.172 6.696 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.455 -15.356 6.047 1.00 0.00 H new ATOM 962 N ILE A 61 -9.464 -9.927 3.791 1.00 0.00 N ATOM 963 CA ILE A 61 -9.566 -8.473 3.873 1.00 0.00 C ATOM 964 C ILE A 61 -10.860 -7.981 3.226 1.00 0.00 C ATOM 965 O ILE A 61 -10.956 -7.895 2.003 1.00 0.00 O ATOM 966 CB ILE A 61 -8.365 -7.781 3.201 1.00 0.00 C ATOM 967 CG1 ILE A 61 -7.054 -8.371 3.726 1.00 0.00 C ATOM 968 CG2 ILE A 61 -8.412 -6.280 3.445 1.00 0.00 C ATOM 969 CD1 ILE A 61 -5.857 -8.060 2.855 1.00 0.00 C ATOM 0 H ILE A 61 -8.993 -10.274 2.956 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.569 -8.213 4.932 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.418 -7.955 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.870 -7.990 4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.160 -9.453 3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.557 -5.806 2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.334 -5.873 3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.379 -6.084 4.517 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.964 -8.510 3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.019 -8.465 1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.724 -6.980 2.791 1.00 0.00 H new ATOM 981 N GLN A 62 -11.857 -7.665 4.052 1.00 0.00 N ATOM 982 CA GLN A 62 -13.142 -7.190 3.547 1.00 0.00 C ATOM 983 C GLN A 62 -13.199 -5.664 3.529 1.00 0.00 C ATOM 984 O GLN A 62 -12.359 -4.995 4.131 1.00 0.00 O ATOM 985 CB GLN A 62 -14.288 -7.745 4.397 1.00 0.00 C ATOM 986 CG GLN A 62 -14.885 -9.030 3.848 1.00 0.00 C ATOM 987 CD GLN A 62 -15.231 -10.027 4.940 1.00 0.00 C ATOM 988 OE1 GLN A 62 -14.416 -10.304 5.821 1.00 0.00 O ATOM 989 NE2 GLN A 62 -16.445 -10.574 4.892 1.00 0.00 N ATOM 0 H GLN A 62 -11.799 -7.729 5.068 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.250 -7.548 2.523 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -13.924 -7.926 5.408 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -15.073 -6.992 4.470 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -15.784 -8.794 3.278 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.179 -9.487 3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -17.091 -10.318 4.145 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -16.729 -11.249 5.602 1.00 0.00 H new ATOM 998 N LYS A 63 -14.197 -5.118 2.831 1.00 0.00 N ATOM 999 CA LYS A 63 -14.364 -3.666 2.732 1.00 0.00 C ATOM 1000 C LYS A 63 -14.322 -3.008 4.111 1.00 0.00 C ATOM 1001 O LYS A 63 -14.690 -3.621 5.112 1.00 0.00 O ATOM 1002 CB LYS A 63 -15.683 -3.323 2.034 1.00 0.00 C ATOM 1003 CG LYS A 63 -15.629 -2.032 1.234 1.00 0.00 C ATOM 1004 CD LYS A 63 -16.817 -1.910 0.293 1.00 0.00 C ATOM 1005 CE LYS A 63 -16.661 -2.810 -0.923 1.00 0.00 C ATOM 1006 NZ LYS A 63 -17.458 -4.061 -0.794 1.00 0.00 N ATOM 0 H LYS A 63 -14.900 -5.658 2.327 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.535 -3.278 2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.956 -4.142 1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.471 -3.244 2.783 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.614 -1.181 1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.703 -1.997 0.660 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.732 -2.171 0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.921 -0.874 -0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.975 -2.270 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.609 -3.062 -1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.872 -4.876 -1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.769 -4.174 0.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.290 -4.008 -1.416 1.00 0.00 H new ATOM 1020 N GLU A 64 -13.872 -1.754 4.153 1.00 0.00 N ATOM 1021 CA GLU A 64 -13.785 -1.011 5.407 1.00 0.00 C ATOM 1022 C GLU A 64 -12.809 -1.670 6.386 1.00 0.00 C ATOM 1023 O GLU A 64 -12.895 -1.447 7.594 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.167 -0.897 6.053 1.00 0.00 C ATOM 1025 CG GLU A 64 -16.270 -0.531 5.073 1.00 0.00 C ATOM 1026 CD GLU A 64 -17.075 0.672 5.521 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -17.464 0.717 6.707 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -17.317 1.569 4.686 1.00 0.00 O ATOM 0 H GLU A 64 -13.563 -1.233 3.333 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.410 -0.015 5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.416 -1.846 6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.129 -0.145 6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.830 -0.326 4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.937 -1.384 4.949 1.00 0.00 H new ATOM 1035 N SER A 65 -11.880 -2.476 5.870 1.00 0.00 N ATOM 1036 CA SER A 65 -10.900 -3.147 6.722 1.00 0.00 C ATOM 1037 C SER A 65 -9.823 -2.169 7.184 1.00 0.00 C ATOM 1038 O SER A 65 -9.743 -1.044 6.691 1.00 0.00 O ATOM 1039 CB SER A 65 -10.256 -4.321 5.979 1.00 0.00 C ATOM 1040 OG SER A 65 -10.952 -5.529 6.232 1.00 0.00 O ATOM 0 H SER A 65 -11.786 -2.678 4.875 1.00 0.00 H new ATOM 0 HA SER A 65 -11.422 -3.529 7.599 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.251 -4.118 4.908 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.216 -4.425 6.289 1.00 0.00 H new ATOM 0 HG SER A 65 -11.693 -5.619 5.597 1.00 0.00 H new ATOM 1046 N THR A 66 -8.990 -2.605 8.127 1.00 0.00 N ATOM 1047 CA THR A 66 -7.915 -1.764 8.640 1.00 0.00 C ATOM 1048 C THR A 66 -6.602 -2.089 7.933 1.00 0.00 C ATOM 1049 O THR A 66 -6.049 -3.176 8.104 1.00 0.00 O ATOM 1050 CB THR A 66 -7.759 -1.957 10.151 1.00 0.00 C ATOM 1051 OG1 THR A 66 -8.216 -3.239 10.544 1.00 0.00 O ATOM 1052 CG2 THR A 66 -8.518 -0.930 10.965 1.00 0.00 C ATOM 0 H THR A 66 -9.040 -3.532 8.549 1.00 0.00 H new ATOM 0 HA THR A 66 -8.171 -0.723 8.445 1.00 0.00 H new ATOM 0 HB THR A 66 -6.693 -1.841 10.349 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.479 -3.882 10.481 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.366 -1.123 12.027 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.154 0.068 10.722 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.581 -0.995 10.733 1.00 0.00 H new ATOM 1060 N LEU A 67 -6.109 -1.149 7.127 1.00 0.00 N ATOM 1061 CA LEU A 67 -4.867 -1.358 6.391 1.00 0.00 C ATOM 1062 C LEU A 67 -3.680 -0.702 7.096 1.00 0.00 C ATOM 1063 O LEU A 67 -3.628 0.520 7.238 1.00 0.00 O ATOM 1064 CB LEU A 67 -4.996 -0.813 4.965 1.00 0.00 C ATOM 1065 CG LEU A 67 -4.976 0.712 4.844 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -3.594 1.198 4.435 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -6.023 1.181 3.846 1.00 0.00 C ATOM 0 H LEU A 67 -6.549 -0.242 6.969 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.683 -2.432 6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.183 -1.219 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.927 -1.183 4.535 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.215 1.137 5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.600 2.285 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.864 0.894 5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.326 0.764 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.995 2.268 3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.815 0.746 2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.011 0.866 4.180 1.00 0.00 H new ATOM 1079 N HIS A 68 -2.723 -1.522 7.530 1.00 0.00 N ATOM 1080 CA HIS A 68 -1.535 -1.018 8.209 1.00 0.00 C ATOM 1081 C HIS A 68 -0.312 -1.119 7.298 1.00 0.00 C ATOM 1082 O HIS A 68 0.169 -2.216 7.013 1.00 0.00 O ATOM 1083 CB HIS A 68 -1.292 -1.798 9.505 1.00 0.00 C ATOM 1084 CG HIS A 68 -1.442 -0.966 10.741 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -2.635 -0.385 11.116 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -0.542 -0.618 11.690 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -2.461 0.284 12.242 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -1.201 0.158 12.611 1.00 0.00 N ATOM 0 H HIS A 68 -2.749 -2.536 7.423 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.699 0.031 8.455 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.990 -2.634 9.553 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.288 -2.222 9.482 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.501 -0.899 11.718 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.221 0.840 12.771 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.784 0.570 13.445 1.00 0.00 H new ATOM 1097 N LEU A 69 0.186 0.028 6.838 1.00 0.00 N ATOM 1098 CA LEU A 69 1.351 0.052 5.957 1.00 0.00 C ATOM 1099 C LEU A 69 2.638 0.241 6.758 1.00 0.00 C ATOM 1100 O LEU A 69 2.603 0.358 7.984 1.00 0.00 O ATOM 1101 CB LEU A 69 1.210 1.171 4.918 1.00 0.00 C ATOM 1102 CG LEU A 69 1.011 0.693 3.477 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -0.458 0.753 3.092 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.851 1.525 2.519 1.00 0.00 C ATOM 0 H LEU A 69 -0.197 0.947 7.059 1.00 0.00 H new ATOM 0 HA LEU A 69 1.405 -0.907 5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.365 1.801 5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.101 1.798 4.958 1.00 0.00 H new ATOM 0 HG LEU A 69 1.340 -0.344 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.579 0.410 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.035 0.113 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.814 1.780 3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.697 1.172 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.554 2.571 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.905 1.429 2.781 1.00 0.00 H new ATOM 1116 N VAL A 70 3.773 0.273 6.060 1.00 0.00 N ATOM 1117 CA VAL A 70 5.066 0.450 6.715 1.00 0.00 C ATOM 1118 C VAL A 70 5.639 1.834 6.410 1.00 0.00 C ATOM 1119 O VAL A 70 5.003 2.636 5.724 1.00 0.00 O ATOM 1120 CB VAL A 70 6.089 -0.631 6.287 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.869 -1.135 7.492 1.00 0.00 C ATOM 1122 CG2 VAL A 70 5.403 -1.789 5.574 1.00 0.00 C ATOM 0 H VAL A 70 3.822 0.179 5.046 1.00 0.00 H new ATOM 0 HA VAL A 70 4.892 0.350 7.786 1.00 0.00 H new ATOM 0 HB VAL A 70 6.787 -0.172 5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.583 -1.894 7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.404 -0.304 7.952 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.179 -1.568 8.217 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.147 -2.531 5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.674 -2.247 6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.896 -1.419 4.683 1.00 0.00 H new ATOM 1132 N LEU A 71 6.838 2.115 6.918 1.00 0.00 N ATOM 1133 CA LEU A 71 7.477 3.408 6.686 1.00 0.00 C ATOM 1134 C LEU A 71 8.060 3.479 5.277 1.00 0.00 C ATOM 1135 O LEU A 71 8.704 2.537 4.816 1.00 0.00 O ATOM 1136 CB LEU A 71 8.578 3.660 7.721 1.00 0.00 C ATOM 1137 CG LEU A 71 8.127 4.404 8.978 1.00 0.00 C ATOM 1138 CD1 LEU A 71 8.949 3.968 10.181 1.00 0.00 C ATOM 1139 CD2 LEU A 71 8.235 5.907 8.773 1.00 0.00 C ATOM 0 H LEU A 71 7.383 1.469 7.489 1.00 0.00 H new ATOM 0 HA LEU A 71 6.716 4.182 6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.003 2.701 8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.377 4.230 7.247 1.00 0.00 H new ATOM 0 HG LEU A 71 7.083 4.156 9.169 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.613 4.508 11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.822 2.897 10.340 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.002 4.186 10.001 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.910 6.422 9.677 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.270 6.171 8.557 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.602 6.207 7.938 1.00 0.00 H new