USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 7 THR OG1 : rot -54:sc= 1.14 USER MOD Set 1.2: A 9 THR OG1 : rot -28:sc= 0.101 USER MOD Set 1.3: A 11 LYS NZ :NH3+ -111:sc= -1.83 (180deg=-4.23!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 1.21 (180deg=0.118) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 6 LYS NZ :NH3+ -142:sc= -0.0837 (180deg=-0.55) 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 -21:sc= 0.459! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.964 K(o=-0.96,f=-2.4) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= -0.937 (180deg=-0.943) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= -0.954 (180deg=-1.1) USER MOD Single : A 31 GLN :FLIP amide:sc= -1.1 F(o=-2.3!,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 131:sc= -0.128 (180deg=-1.53) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.169 F(o=-0.79,f=-0.17) USER MOD Single : A 41 GLN : amide:sc= -0.03 K(o=-0.03,f=-3.5!) 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) USER MOD Single : A 55 THR OG1 : rot 180:sc=0.000316 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.422 USER MOD Single : A 60 ASN : amide:sc= -0.0425 K(o=-0.042,f=-1.2!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 63 LYS NZ :NH3+ -163:sc=-0.00887 (180deg=-0.201) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0017 USER MOD Single : A 68 HIS : no HD1:sc= -7.06! C(o=-7.1!,f=-17!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.737 24.652 1.289 1.00 0.00 N ATOM 2 CA MET A 1 29.591 25.598 1.378 1.00 0.00 C ATOM 3 C MET A 1 30.016 26.842 2.152 1.00 0.00 C ATOM 4 O MET A 1 31.194 27.211 2.159 1.00 0.00 O ATOM 5 CB MET A 1 28.414 24.914 2.076 1.00 0.00 C ATOM 6 CG MET A 1 28.808 24.535 3.505 1.00 0.00 C ATOM 7 SD MET A 1 27.516 23.492 4.227 1.00 0.00 S ATOM 8 CE MET A 1 28.231 23.355 5.883 1.00 0.00 C ATOM 0 H1 MET A 1 30.400 23.682 1.452 1.00 0.00 H new ATOM 0 H2 MET A 1 31.167 24.715 0.344 1.00 0.00 H new ATOM 0 H3 MET A 1 31.446 24.897 2.009 1.00 0.00 H new ATOM 0 HA MET A 1 29.282 25.894 0.376 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.551 25.580 2.091 1.00 0.00 H new ATOM 0 HB3 MET A 1 28.119 24.023 1.522 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.760 24.005 3.503 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.945 25.433 4.107 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.584 22.741 6.509 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.216 22.894 5.817 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.324 24.348 6.322 1.00 0.00 H new ATOM 20 N GLN A 2 29.052 27.482 2.814 1.00 0.00 N ATOM 21 CA GLN A 2 29.330 28.685 3.593 1.00 0.00 C ATOM 22 C GLN A 2 28.445 28.740 4.837 1.00 0.00 C ATOM 23 O GLN A 2 27.351 28.175 4.862 1.00 0.00 O ATOM 24 CB GLN A 2 29.076 29.923 2.729 1.00 0.00 C ATOM 25 CG GLN A 2 27.606 29.957 2.300 1.00 0.00 C ATOM 26 CD GLN A 2 27.379 31.088 1.303 1.00 0.00 C ATOM 27 OE1 GLN A 2 28.089 31.187 0.302 1.00 0.00 O ATOM 28 NE2 GLN A 2 26.425 31.952 1.519 1.00 0.00 N ATOM 0 H GLN A 2 28.076 27.188 2.826 1.00 0.00 H new ATOM 0 HA GLN A 2 30.373 28.662 3.909 1.00 0.00 H new ATOM 0 HB2 GLN A 2 29.323 30.826 3.288 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.721 29.905 1.851 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.328 29.004 1.850 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.967 30.097 3.172 1.00 0.00 H new ATOM 0 HE21 GLN A 2 25.839 31.867 2.349 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.266 32.712 0.858 1.00 0.00 H new ATOM 37 N ILE A 3 28.933 29.432 5.864 1.00 0.00 N ATOM 38 CA ILE A 3 28.193 29.571 7.114 1.00 0.00 C ATOM 39 C ILE A 3 28.345 30.978 7.687 1.00 0.00 C ATOM 40 O ILE A 3 29.386 31.614 7.531 1.00 0.00 O ATOM 41 CB ILE A 3 28.694 28.552 8.139 1.00 0.00 C ATOM 42 CG1 ILE A 3 30.178 28.799 8.448 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.526 27.135 7.585 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.628 27.870 9.575 1.00 0.00 C ATOM 0 H ILE A 3 29.837 29.904 5.854 1.00 0.00 H new ATOM 0 HA ILE A 3 27.139 29.390 6.901 1.00 0.00 H new ATOM 0 HB ILE A 3 28.111 28.661 9.054 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.780 28.624 7.556 1.00 0.00 H new ATOM 0 HG13 ILE A 3 30.332 29.839 8.737 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.884 26.413 8.319 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.473 26.948 7.376 1.00 0.00 H new ATOM 0 HG23 ILE A 3 29.101 27.033 6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.681 28.046 9.793 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.035 28.067 10.468 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.490 26.833 9.269 1.00 0.00 H new ATOM 56 N PHE A 4 27.290 31.460 8.331 1.00 0.00 N ATOM 57 CA PHE A 4 27.290 32.802 8.916 1.00 0.00 C ATOM 58 C PHE A 4 27.622 32.737 10.400 1.00 0.00 C ATOM 59 O PHE A 4 26.997 31.977 11.139 1.00 0.00 O ATOM 60 CB PHE A 4 25.913 33.440 8.738 1.00 0.00 C ATOM 61 CG PHE A 4 25.530 33.440 7.279 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.818 32.360 6.746 1.00 0.00 C ATOM 63 CD2 PHE A 4 25.877 34.522 6.460 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.453 32.359 5.394 1.00 0.00 C ATOM 65 CE2 PHE A 4 25.514 34.521 5.108 1.00 0.00 C ATOM 66 CZ PHE A 4 24.801 33.440 4.576 1.00 0.00 C ATOM 0 H PHE A 4 26.420 30.944 8.464 1.00 0.00 H new ATOM 0 HA PHE A 4 28.046 33.401 8.408 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.171 32.891 9.317 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.924 34.461 9.120 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.550 31.526 7.378 1.00 0.00 H new ATOM 0 HD2 PHE A 4 26.425 35.357 6.872 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.904 31.525 4.983 1.00 0.00 H new ATOM 0 HE2 PHE A 4 25.784 35.354 4.476 1.00 0.00 H new ATOM 0 HZ PHE A 4 24.519 33.440 3.533 1.00 0.00 H new ATOM 76 N VAL A 5 28.597 33.540 10.845 1.00 0.00 N ATOM 77 CA VAL A 5 28.985 33.562 12.257 1.00 0.00 C ATOM 78 C VAL A 5 28.632 34.902 12.879 1.00 0.00 C ATOM 79 O VAL A 5 29.156 35.948 12.495 1.00 0.00 O ATOM 80 CB VAL A 5 30.489 33.298 12.396 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.952 33.643 13.822 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.757 31.816 12.136 1.00 0.00 C ATOM 0 H VAL A 5 29.127 34.178 10.251 1.00 0.00 H new ATOM 0 HA VAL A 5 28.439 32.777 12.781 1.00 0.00 H new ATOM 0 HB VAL A 5 31.032 33.915 11.680 1.00 0.00 H new ATOM 0 HG11 VAL A 5 32.021 33.453 13.913 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.752 34.695 14.025 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.411 33.026 14.539 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.824 31.617 12.232 1.00 0.00 H new ATOM 0 HG22 VAL A 5 30.209 31.214 12.861 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.429 31.558 11.129 1.00 0.00 H new ATOM 92 N LYS A 6 27.726 34.847 13.833 1.00 0.00 N ATOM 93 CA LYS A 6 27.265 36.043 14.524 1.00 0.00 C ATOM 94 C LYS A 6 28.086 36.290 15.791 1.00 0.00 C ATOM 95 O LYS A 6 27.929 35.586 16.789 1.00 0.00 O ATOM 96 CB LYS A 6 25.793 35.847 14.876 1.00 0.00 C ATOM 97 CG LYS A 6 25.137 37.183 15.205 1.00 0.00 C ATOM 98 CD LYS A 6 23.701 36.912 15.667 1.00 0.00 C ATOM 99 CE LYS A 6 22.974 38.231 15.927 1.00 0.00 C ATOM 100 NZ LYS A 6 23.735 39.026 16.929 1.00 0.00 N ATOM 0 H LYS A 6 27.289 33.982 14.152 1.00 0.00 H new ATOM 0 HA LYS A 6 27.388 36.913 13.879 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.274 35.377 14.041 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.704 35.173 15.728 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.696 37.699 15.986 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.138 37.833 14.330 1.00 0.00 H new ATOM 0 HD2 LYS A 6 23.169 36.338 14.908 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.711 36.308 16.575 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.876 38.794 14.999 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.965 38.037 16.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.070 39.512 17.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 24.344 38.392 17.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 24.324 39.730 16.439 1.00 0.00 H new ATOM 114 N THR A 7 28.963 37.291 15.741 1.00 0.00 N ATOM 115 CA THR A 7 29.801 37.620 16.894 1.00 0.00 C ATOM 116 C THR A 7 28.973 38.325 17.966 1.00 0.00 C ATOM 117 O THR A 7 27.857 38.774 17.701 1.00 0.00 O ATOM 118 CB THR A 7 30.968 38.515 16.465 1.00 0.00 C ATOM 119 OG1 THR A 7 30.471 39.785 16.066 1.00 0.00 O ATOM 120 CG2 THR A 7 31.720 37.864 15.297 1.00 0.00 C ATOM 0 H THR A 7 29.112 37.883 14.924 1.00 0.00 H new ATOM 0 HA THR A 7 30.200 36.694 17.307 1.00 0.00 H new ATOM 0 HB THR A 7 31.652 38.641 17.304 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.787 39.666 15.374 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.549 38.505 14.996 1.00 0.00 H new ATOM 0 HG22 THR A 7 32.106 36.893 15.609 1.00 0.00 H new ATOM 0 HG23 THR A 7 31.040 37.731 14.456 1.00 0.00 H new ATOM 128 N LEU A 8 29.513 38.438 19.178 1.00 0.00 N ATOM 129 CA LEU A 8 28.786 39.096 20.257 1.00 0.00 C ATOM 130 C LEU A 8 28.680 40.599 20.015 1.00 0.00 C ATOM 131 O LEU A 8 27.698 41.228 20.411 1.00 0.00 O ATOM 132 CB LEU A 8 29.497 38.845 21.594 1.00 0.00 C ATOM 133 CG LEU A 8 28.579 39.261 22.765 1.00 0.00 C ATOM 134 CD1 LEU A 8 27.612 38.121 23.112 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.426 39.590 24.001 1.00 0.00 C ATOM 0 H LEU A 8 30.436 38.088 19.433 1.00 0.00 H new ATOM 0 HA LEU A 8 27.780 38.679 20.288 1.00 0.00 H new ATOM 0 HB2 LEU A 8 29.760 37.791 21.684 1.00 0.00 H new ATOM 0 HB3 LEU A 8 30.428 39.410 21.632 1.00 0.00 H new ATOM 0 HG LEU A 8 28.010 40.140 22.463 1.00 0.00 H new ATOM 0 HD11 LEU A 8 26.971 38.427 23.939 1.00 0.00 H new ATOM 0 HD12 LEU A 8 26.997 37.888 22.243 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.180 37.237 23.402 1.00 0.00 H new ATOM 0 HD21 LEU A 8 28.772 39.883 24.823 1.00 0.00 H new ATOM 0 HD22 LEU A 8 30.003 38.712 24.291 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.106 40.410 23.769 1.00 0.00 H new ATOM 147 N THR A 9 29.691 41.175 19.374 1.00 0.00 N ATOM 148 CA THR A 9 29.681 42.608 19.105 1.00 0.00 C ATOM 149 C THR A 9 28.621 42.946 18.060 1.00 0.00 C ATOM 150 O THR A 9 28.510 44.094 17.627 1.00 0.00 O ATOM 151 CB THR A 9 31.056 43.065 18.608 1.00 0.00 C ATOM 152 OG1 THR A 9 31.337 42.447 17.360 1.00 0.00 O ATOM 153 CG2 THR A 9 32.125 42.672 19.628 1.00 0.00 C ATOM 0 H THR A 9 30.516 40.681 19.035 1.00 0.00 H new ATOM 0 HA THR A 9 29.445 43.129 20.033 1.00 0.00 H new ATOM 0 HB THR A 9 31.057 44.148 18.484 1.00 0.00 H new ATOM 0 HG1 THR A 9 30.872 41.586 17.309 1.00 0.00 H new ATOM 0 HG21 THR A 9 33.103 42.997 19.274 1.00 0.00 H new ATOM 0 HG22 THR A 9 31.908 43.149 20.584 1.00 0.00 H new ATOM 0 HG23 THR A 9 32.127 41.589 19.754 1.00 0.00 H new ATOM 161 N GLY A 10 27.842 41.943 17.661 1.00 0.00 N ATOM 162 CA GLY A 10 26.794 42.154 16.672 1.00 0.00 C ATOM 163 C GLY A 10 27.379 42.248 15.270 1.00 0.00 C ATOM 164 O GLY A 10 26.699 42.659 14.330 1.00 0.00 O ATOM 0 H GLY A 10 27.917 40.986 18.005 1.00 0.00 H new ATOM 0 HA2 GLY A 10 26.077 41.335 16.716 1.00 0.00 H new ATOM 0 HA3 GLY A 10 26.248 43.068 16.904 1.00 0.00 H new ATOM 168 N LYS A 11 28.638 41.838 15.126 1.00 0.00 N ATOM 169 CA LYS A 11 29.298 41.851 13.822 1.00 0.00 C ATOM 170 C LYS A 11 29.099 40.508 13.135 1.00 0.00 C ATOM 171 O LYS A 11 29.440 39.463 13.691 1.00 0.00 O ATOM 172 CB LYS A 11 30.794 42.132 13.984 1.00 0.00 C ATOM 173 CG LYS A 11 31.399 42.495 12.621 1.00 0.00 C ATOM 174 CD LYS A 11 32.929 42.501 12.722 1.00 0.00 C ATOM 175 CE LYS A 11 33.375 43.530 13.767 1.00 0.00 C ATOM 176 NZ LYS A 11 33.317 42.914 15.122 1.00 0.00 N ATOM 0 H LYS A 11 29.218 41.495 15.891 1.00 0.00 H new ATOM 0 HA LYS A 11 28.858 42.640 13.213 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.947 42.948 14.690 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.297 41.256 14.395 1.00 0.00 H new ATOM 0 HG2 LYS A 11 31.077 41.777 11.866 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.042 43.474 12.302 1.00 0.00 H new ATOM 0 HD2 LYS A 11 33.289 41.510 12.998 1.00 0.00 H new ATOM 0 HD3 LYS A 11 33.366 42.740 11.753 1.00 0.00 H new ATOM 0 HE2 LYS A 11 34.389 43.868 13.552 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.731 44.409 13.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.551 43.354 15.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.137 41.894 15.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 34.223 43.064 15.611 1.00 0.00 H new ATOM 190 N THR A 12 28.546 40.534 11.931 1.00 0.00 N ATOM 191 CA THR A 12 28.305 39.305 11.181 1.00 0.00 C ATOM 192 C THR A 12 29.409 39.078 10.154 1.00 0.00 C ATOM 193 O THR A 12 29.649 39.927 9.296 1.00 0.00 O ATOM 194 CB THR A 12 26.963 39.404 10.454 1.00 0.00 C ATOM 195 OG1 THR A 12 25.927 39.609 11.406 1.00 0.00 O ATOM 196 CG2 THR A 12 26.698 38.109 9.680 1.00 0.00 C ATOM 0 H THR A 12 28.256 41.387 11.452 1.00 0.00 H new ATOM 0 HA THR A 12 28.292 38.470 11.881 1.00 0.00 H new ATOM 0 HB THR A 12 26.989 40.240 9.756 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.066 39.675 10.943 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.741 38.183 9.163 1.00 0.00 H new ATOM 0 HG22 THR A 12 27.493 37.952 8.951 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.671 37.269 10.374 1.00 0.00 H new ATOM 204 N ILE A 13 30.074 37.927 10.237 1.00 0.00 N ATOM 205 CA ILE A 13 31.145 37.595 9.294 1.00 0.00 C ATOM 206 C ILE A 13 30.919 36.201 8.724 1.00 0.00 C ATOM 207 O ILE A 13 30.664 35.250 9.463 1.00 0.00 O ATOM 208 CB ILE A 13 32.503 37.647 9.997 1.00 0.00 C ATOM 209 CG1 ILE A 13 33.630 37.553 8.953 1.00 0.00 C ATOM 210 CG2 ILE A 13 32.608 36.476 10.978 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.977 37.416 9.663 1.00 0.00 C ATOM 0 H ILE A 13 29.893 37.212 10.942 1.00 0.00 H new ATOM 0 HA ILE A 13 31.136 38.323 8.483 1.00 0.00 H new ATOM 0 HB ILE A 13 32.598 38.587 10.540 1.00 0.00 H new ATOM 0 HG12 ILE A 13 33.463 36.697 8.299 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.629 38.441 8.321 1.00 0.00 H new ATOM 0 HG21 ILE A 13 33.574 36.509 11.482 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.811 36.548 11.718 1.00 0.00 H new ATOM 0 HG23 ILE A 13 32.514 35.536 10.434 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.774 37.350 8.922 1.00 0.00 H new ATOM 0 HD12 ILE A 13 35.144 38.286 10.298 1.00 0.00 H new ATOM 0 HD13 ILE A 13 34.975 36.515 10.276 1.00 0.00 H new ATOM 223 N THR A 14 30.981 36.095 7.408 1.00 0.00 N ATOM 224 CA THR A 14 30.753 34.819 6.736 1.00 0.00 C ATOM 225 C THR A 14 32.025 33.974 6.704 1.00 0.00 C ATOM 226 O THR A 14 33.138 34.493 6.614 1.00 0.00 O ATOM 227 CB THR A 14 30.249 35.068 5.311 1.00 0.00 C ATOM 228 OG1 THR A 14 29.246 36.074 5.343 1.00 0.00 O ATOM 229 CG2 THR A 14 29.655 33.776 4.734 1.00 0.00 C ATOM 0 H THR A 14 31.187 36.873 6.781 1.00 0.00 H new ATOM 0 HA THR A 14 29.999 34.267 7.297 1.00 0.00 H new ATOM 0 HB THR A 14 31.080 35.390 4.684 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.920 36.240 4.434 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.299 33.960 3.721 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.421 33.001 4.714 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.823 33.448 5.357 1.00 0.00 H new ATOM 237 N LEU A 15 31.827 32.663 6.799 1.00 0.00 N ATOM 238 CA LEU A 15 32.926 31.696 6.806 1.00 0.00 C ATOM 239 C LEU A 15 32.726 30.648 5.706 1.00 0.00 C ATOM 240 O LEU A 15 31.627 30.118 5.531 1.00 0.00 O ATOM 241 CB LEU A 15 32.960 31.001 8.193 1.00 0.00 C ATOM 242 CG LEU A 15 34.382 30.996 8.782 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.704 32.377 9.364 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.460 29.944 9.896 1.00 0.00 C ATOM 0 H LEU A 15 30.902 32.239 6.873 1.00 0.00 H new ATOM 0 HA LEU A 15 33.867 32.212 6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 15 32.283 31.514 8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.600 29.977 8.098 1.00 0.00 H new ATOM 0 HG LEU A 15 35.101 30.759 7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.711 32.371 9.780 1.00 0.00 H new ATOM 0 HD12 LEU A 15 34.642 33.127 8.576 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.988 32.616 10.150 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.465 29.935 10.318 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.740 30.188 10.678 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.230 28.961 9.485 1.00 0.00 H new ATOM 256 N GLU A 16 33.802 30.331 4.999 1.00 0.00 N ATOM 257 CA GLU A 16 33.748 29.310 3.949 1.00 0.00 C ATOM 258 C GLU A 16 34.304 28.006 4.506 1.00 0.00 C ATOM 259 O GLU A 16 35.420 27.977 5.024 1.00 0.00 O ATOM 260 CB GLU A 16 34.571 29.744 2.734 1.00 0.00 C ATOM 261 CG GLU A 16 34.365 28.741 1.595 1.00 0.00 C ATOM 262 CD GLU A 16 35.234 29.123 0.401 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.364 29.525 0.624 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.758 29.006 -0.716 1.00 0.00 O ATOM 0 H GLU A 16 34.719 30.759 5.128 1.00 0.00 H new ATOM 0 HA GLU A 16 32.714 29.173 3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.269 30.741 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.627 29.800 2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.619 27.736 1.934 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.316 28.723 1.301 1.00 0.00 H new ATOM 271 N VAL A 17 33.529 26.926 4.402 1.00 0.00 N ATOM 272 CA VAL A 17 33.978 25.628 4.915 1.00 0.00 C ATOM 273 C VAL A 17 33.358 24.485 4.116 1.00 0.00 C ATOM 274 O VAL A 17 32.473 24.687 3.292 1.00 0.00 O ATOM 275 CB VAL A 17 33.621 25.494 6.410 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.116 25.684 6.623 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.029 24.121 6.952 1.00 0.00 C ATOM 0 H VAL A 17 32.603 26.921 3.975 1.00 0.00 H new ATOM 0 HA VAL A 17 35.061 25.571 4.805 1.00 0.00 H new ATOM 0 HB VAL A 17 34.168 26.268 6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 17 31.883 25.586 7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.822 26.675 6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.570 24.926 6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 17 33.766 24.054 8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 17 33.507 23.341 6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.105 23.990 6.837 1.00 0.00 H new ATOM 287 N GLU A 18 33.837 23.291 4.394 1.00 0.00 N ATOM 288 CA GLU A 18 33.343 22.071 3.737 1.00 0.00 C ATOM 289 C GLU A 18 32.393 21.328 4.685 1.00 0.00 C ATOM 290 O GLU A 18 32.562 21.391 5.895 1.00 0.00 O ATOM 291 CB GLU A 18 34.521 21.167 3.367 1.00 0.00 C ATOM 292 CG GLU A 18 35.465 21.917 2.423 1.00 0.00 C ATOM 293 CD GLU A 18 36.719 21.087 2.175 1.00 0.00 C ATOM 294 OE1 GLU A 18 36.585 19.890 1.985 1.00 0.00 O ATOM 295 OE2 GLU A 18 37.795 21.661 2.180 1.00 0.00 O ATOM 0 H GLU A 18 34.577 23.125 5.077 1.00 0.00 H new ATOM 0 HA GLU A 18 32.806 22.342 2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.056 20.863 4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.158 20.257 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.961 22.122 1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 18 35.736 22.880 2.855 1.00 0.00 H new ATOM 302 N PRO A 19 31.402 20.631 4.188 1.00 0.00 N ATOM 303 CA PRO A 19 30.447 19.902 5.075 1.00 0.00 C ATOM 304 C PRO A 19 31.095 18.691 5.750 1.00 0.00 C ATOM 305 O PRO A 19 30.528 18.109 6.675 1.00 0.00 O ATOM 306 CB PRO A 19 29.316 19.481 4.126 1.00 0.00 C ATOM 307 CG PRO A 19 29.958 19.398 2.776 1.00 0.00 C ATOM 308 CD PRO A 19 31.075 20.448 2.761 1.00 0.00 C ATOM 0 HA PRO A 19 30.097 20.521 5.901 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.889 18.522 4.420 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.503 20.207 4.133 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.360 18.401 2.598 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.231 19.593 1.988 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.940 20.105 2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.743 21.380 2.304 1.00 0.00 H new ATOM 316 N SER A 20 32.284 18.319 5.283 1.00 0.00 N ATOM 317 CA SER A 20 33.001 17.175 5.847 1.00 0.00 C ATOM 318 C SER A 20 34.011 17.636 6.891 1.00 0.00 C ATOM 319 O SER A 20 34.590 16.821 7.611 1.00 0.00 O ATOM 320 CB SER A 20 33.720 16.416 4.732 1.00 0.00 C ATOM 321 OG SER A 20 34.550 15.415 5.304 1.00 0.00 O ATOM 0 H SER A 20 32.771 18.789 4.520 1.00 0.00 H new ATOM 0 HA SER A 20 32.279 16.516 6.329 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.993 15.961 4.059 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.319 17.104 4.136 1.00 0.00 H new ATOM 0 HG SER A 20 34.738 15.641 6.239 1.00 0.00 H new ATOM 327 N ASP A 21 34.212 18.949 6.979 1.00 0.00 N ATOM 328 CA ASP A 21 35.139 19.510 7.943 1.00 0.00 C ATOM 329 C ASP A 21 34.623 19.295 9.361 1.00 0.00 C ATOM 330 O ASP A 21 33.413 19.320 9.604 1.00 0.00 O ATOM 331 CB ASP A 21 35.313 21.009 7.672 1.00 0.00 C ATOM 332 CG ASP A 21 36.325 21.233 6.552 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.655 20.271 5.879 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.763 22.358 6.391 1.00 0.00 O ATOM 0 H ASP A 21 33.743 19.639 6.392 1.00 0.00 H new ATOM 0 HA ASP A 21 36.102 19.009 7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.354 21.449 7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 21 35.647 21.513 8.579 1.00 0.00 H new ATOM 339 N THR A 22 35.544 19.106 10.297 1.00 0.00 N ATOM 340 CA THR A 22 35.170 18.915 11.691 1.00 0.00 C ATOM 341 C THR A 22 34.942 20.267 12.366 1.00 0.00 C ATOM 342 O THR A 22 35.155 21.325 11.767 1.00 0.00 O ATOM 343 CB THR A 22 36.269 18.149 12.431 1.00 0.00 C ATOM 344 OG1 THR A 22 37.446 18.943 12.486 1.00 0.00 O ATOM 345 CG2 THR A 22 36.563 16.843 11.693 1.00 0.00 C ATOM 0 H THR A 22 36.548 19.081 10.118 1.00 0.00 H new ATOM 0 HA THR A 22 34.246 18.338 11.727 1.00 0.00 H new ATOM 0 HB THR A 22 35.938 17.925 13.445 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.149 18.453 12.961 1.00 0.00 H new ATOM 0 HG21 THR A 22 37.346 16.296 12.219 1.00 0.00 H new ATOM 0 HG22 THR A 22 35.659 16.235 11.655 1.00 0.00 H new ATOM 0 HG23 THR A 22 36.894 17.065 10.679 1.00 0.00 H new ATOM 353 N ILE A 23 34.531 20.228 13.621 1.00 0.00 N ATOM 354 CA ILE A 23 34.311 21.465 14.358 1.00 0.00 C ATOM 355 C ILE A 23 35.652 22.101 14.706 1.00 0.00 C ATOM 356 O ILE A 23 35.867 23.286 14.454 1.00 0.00 O ATOM 357 CB ILE A 23 33.501 21.190 15.629 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.310 20.280 15.298 1.00 0.00 C ATOM 359 CG2 ILE A 23 32.981 22.508 16.209 1.00 0.00 C ATOM 360 CD1 ILE A 23 31.583 20.791 14.046 1.00 0.00 C ATOM 0 H ILE A 23 34.345 19.373 14.145 1.00 0.00 H new ATOM 0 HA ILE A 23 33.744 22.156 13.734 1.00 0.00 H new ATOM 0 HB ILE A 23 34.144 20.699 16.359 1.00 0.00 H new ATOM 0 HG12 ILE A 23 32.657 19.260 15.135 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.620 20.251 16.141 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.406 22.306 17.113 1.00 0.00 H new ATOM 0 HG22 ILE A 23 33.823 23.156 16.452 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.343 23.002 15.476 1.00 0.00 H new ATOM 0 HD11 ILE A 23 30.740 20.137 13.822 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.219 21.803 14.224 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.272 20.797 13.202 1.00 0.00 H new ATOM 372 N GLU A 24 36.562 21.303 15.256 1.00 0.00 N ATOM 373 CA GLU A 24 37.888 21.806 15.606 1.00 0.00 C ATOM 374 C GLU A 24 38.455 22.611 14.443 1.00 0.00 C ATOM 375 O GLU A 24 39.287 23.496 14.625 1.00 0.00 O ATOM 376 CB GLU A 24 38.828 20.645 15.931 1.00 0.00 C ATOM 377 CG GLU A 24 38.148 19.693 16.916 1.00 0.00 C ATOM 378 CD GLU A 24 37.756 20.445 18.184 1.00 0.00 C ATOM 379 OE1 GLU A 24 38.633 20.694 18.996 1.00 0.00 O ATOM 380 OE2 GLU A 24 36.586 20.762 18.324 1.00 0.00 O ATOM 0 H GLU A 24 36.410 20.317 15.467 1.00 0.00 H new ATOM 0 HA GLU A 24 37.800 22.446 16.484 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.092 20.112 15.018 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.756 21.024 16.358 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.263 19.253 16.457 1.00 0.00 H new ATOM 0 HG3 GLU A 24 38.821 18.872 17.164 1.00 0.00 H new ATOM 387 N ASN A 25 37.973 22.305 13.245 1.00 0.00 N ATOM 388 CA ASN A 25 38.417 23.023 12.057 1.00 0.00 C ATOM 389 C ASN A 25 37.796 24.412 12.050 1.00 0.00 C ATOM 390 O ASN A 25 38.503 25.417 12.102 1.00 0.00 O ATOM 391 CB ASN A 25 38.014 22.275 10.785 1.00 0.00 C ATOM 392 CG ASN A 25 38.656 22.931 9.567 1.00 0.00 C ATOM 393 OD1 ASN A 25 37.973 23.224 8.588 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.937 23.181 9.572 1.00 0.00 N ATOM 0 H ASN A 25 37.283 21.574 13.071 1.00 0.00 H new ATOM 0 HA ASN A 25 39.504 23.100 12.080 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.325 21.232 10.853 1.00 0.00 H new ATOM 0 HB3 ASN A 25 36.929 22.278 10.680 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.374 23.621 8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.501 22.937 10.386 1.00 0.00 H new ATOM 401 N VAL A 26 36.469 24.462 11.976 1.00 0.00 N ATOM 402 CA VAL A 26 35.766 25.741 11.962 1.00 0.00 C ATOM 403 C VAL A 26 36.317 26.662 13.037 1.00 0.00 C ATOM 404 O VAL A 26 36.276 27.887 12.912 1.00 0.00 O ATOM 405 CB VAL A 26 34.275 25.514 12.200 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.549 26.859 12.284 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.719 24.707 11.044 1.00 0.00 C ATOM 0 H VAL A 26 35.865 23.642 11.925 1.00 0.00 H new ATOM 0 HA VAL A 26 35.913 26.208 10.988 1.00 0.00 H new ATOM 0 HB VAL A 26 34.128 24.977 13.137 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.486 26.689 12.454 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.959 27.443 13.108 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.684 27.404 11.350 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.654 24.536 11.199 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.867 25.255 10.113 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.236 23.749 10.987 1.00 0.00 H new ATOM 417 N LYS A 27 36.847 26.054 14.081 1.00 0.00 N ATOM 418 CA LYS A 27 37.427 26.811 15.180 1.00 0.00 C ATOM 419 C LYS A 27 38.723 27.451 14.728 1.00 0.00 C ATOM 420 O LYS A 27 38.950 28.644 14.932 1.00 0.00 O ATOM 421 CB LYS A 27 37.697 25.882 16.369 1.00 0.00 C ATOM 422 CG LYS A 27 36.370 25.377 16.951 1.00 0.00 C ATOM 423 CD LYS A 27 36.583 24.888 18.386 1.00 0.00 C ATOM 424 CE LYS A 27 35.283 24.279 18.915 1.00 0.00 C ATOM 425 NZ LYS A 27 34.270 25.355 19.105 1.00 0.00 N ATOM 0 H LYS A 27 36.889 25.041 14.194 1.00 0.00 H new ATOM 0 HA LYS A 27 36.727 27.588 15.487 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.309 25.038 16.050 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.261 26.413 17.136 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.629 26.176 16.936 1.00 0.00 H new ATOM 0 HG3 LYS A 27 35.978 24.567 16.336 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.382 24.147 18.414 1.00 0.00 H new ATOM 0 HD3 LYS A 27 36.894 25.717 19.022 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.908 23.532 18.216 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.467 23.767 19.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.392 24.943 19.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 34.635 26.061 19.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.074 25.813 18.192 1.00 0.00 H new ATOM 439 N ALA A 28 39.569 26.644 14.112 1.00 0.00 N ATOM 440 CA ALA A 28 40.852 27.120 13.627 1.00 0.00 C ATOM 441 C ALA A 28 40.671 28.354 12.742 1.00 0.00 C ATOM 442 O ALA A 28 41.484 29.277 12.786 1.00 0.00 O ATOM 443 CB ALA A 28 41.531 26.011 12.825 1.00 0.00 C ATOM 0 H ALA A 28 39.390 25.655 13.936 1.00 0.00 H new ATOM 0 HA ALA A 28 41.471 27.394 14.481 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.495 26.365 12.459 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.682 25.141 13.464 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.901 25.735 11.979 1.00 0.00 H new ATOM 449 N LYS A 29 39.593 28.368 11.961 1.00 0.00 N ATOM 450 CA LYS A 29 39.320 29.508 11.095 1.00 0.00 C ATOM 451 C LYS A 29 39.018 30.746 11.940 1.00 0.00 C ATOM 452 O LYS A 29 39.753 31.733 11.898 1.00 0.00 O ATOM 453 CB LYS A 29 38.148 29.199 10.170 1.00 0.00 C ATOM 454 CG LYS A 29 38.618 28.258 9.049 1.00 0.00 C ATOM 455 CD LYS A 29 37.414 27.585 8.391 1.00 0.00 C ATOM 456 CE LYS A 29 37.879 26.370 7.586 1.00 0.00 C ATOM 457 NZ LYS A 29 36.828 25.993 6.600 1.00 0.00 N ATOM 0 H LYS A 29 38.906 27.616 11.911 1.00 0.00 H new ATOM 0 HA LYS A 29 40.201 29.706 10.484 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.338 28.736 10.733 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.753 30.121 9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.183 28.820 8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.290 27.502 9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.697 27.277 9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.902 28.292 7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.811 26.598 7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 29 38.081 25.534 8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.223 25.320 5.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.028 25.551 7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.498 26.844 6.101 1.00 0.00 H new ATOM 471 N ILE A 30 37.923 30.690 12.692 1.00 0.00 N ATOM 472 CA ILE A 30 37.516 31.802 13.532 1.00 0.00 C ATOM 473 C ILE A 30 38.678 32.291 14.399 1.00 0.00 C ATOM 474 O ILE A 30 38.840 33.490 14.603 1.00 0.00 O ATOM 475 CB ILE A 30 36.346 31.346 14.413 1.00 0.00 C ATOM 476 CG1 ILE A 30 35.087 31.191 13.553 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.082 32.380 15.506 1.00 0.00 C ATOM 478 CD1 ILE A 30 34.026 30.413 14.336 1.00 0.00 C ATOM 0 H ILE A 30 37.302 29.882 12.734 1.00 0.00 H new ATOM 0 HA ILE A 30 37.206 32.635 12.902 1.00 0.00 H new ATOM 0 HB ILE A 30 36.599 30.391 14.873 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.702 32.172 13.274 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.328 30.668 12.628 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.250 32.049 16.127 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.973 32.492 16.123 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.834 33.338 15.049 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.130 30.303 13.724 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.414 29.427 14.593 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.778 30.954 15.249 1.00 0.00 H new ATOM 490 N GLN A 31 39.479 31.362 14.908 1.00 0.00 N ATOM 491 CA GLN A 31 40.614 31.732 15.752 1.00 0.00 C ATOM 492 C GLN A 31 41.537 32.695 15.012 1.00 0.00 C ATOM 493 O GLN A 31 41.770 33.820 15.455 1.00 0.00 O ATOM 494 CB GLN A 31 41.402 30.479 16.152 1.00 0.00 C ATOM 495 CG GLN A 31 42.569 30.873 17.067 1.00 0.00 C ATOM 496 CD GLN A 31 43.341 29.632 17.497 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.063 28.479 16.953 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 44.218 29.714 18.357 1.00 0.00 N flip ATOM 0 H GLN A 31 39.368 30.360 14.755 1.00 0.00 H new ATOM 0 HA GLN A 31 40.231 32.222 16.647 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.747 29.774 16.664 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.779 29.975 15.262 1.00 0.00 H new ATOM 0 HG2 GLN A 31 43.234 31.561 16.545 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.192 31.398 17.945 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.434 30.616 18.781 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.729 28.880 18.646 1.00 0.00 H new ATOM 507 N ASP A 32 42.076 32.224 13.904 1.00 0.00 N ATOM 508 CA ASP A 32 43.001 33.027 13.115 1.00 0.00 C ATOM 509 C ASP A 32 42.442 34.423 12.820 1.00 0.00 C ATOM 510 O ASP A 32 43.191 35.399 12.798 1.00 0.00 O ATOM 511 CB ASP A 32 43.322 32.309 11.800 1.00 0.00 C ATOM 512 CG ASP A 32 44.099 31.026 12.081 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.959 31.054 12.946 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.820 30.033 11.429 1.00 0.00 O ATOM 0 H ASP A 32 41.893 31.294 13.528 1.00 0.00 H new ATOM 0 HA ASP A 32 43.911 33.152 13.702 1.00 0.00 H new ATOM 0 HB2 ASP A 32 42.399 32.076 11.269 1.00 0.00 H new ATOM 0 HB3 ASP A 32 43.906 32.963 11.152 1.00 0.00 H new ATOM 519 N LYS A 33 41.137 34.516 12.562 1.00 0.00 N ATOM 520 CA LYS A 33 40.523 35.809 12.236 1.00 0.00 C ATOM 521 C LYS A 33 40.174 36.656 13.469 1.00 0.00 C ATOM 522 O LYS A 33 40.353 37.873 13.450 1.00 0.00 O ATOM 523 CB LYS A 33 39.252 35.594 11.419 1.00 0.00 C ATOM 524 CG LYS A 33 39.548 34.718 10.199 1.00 0.00 C ATOM 525 CD LYS A 33 38.228 34.336 9.522 1.00 0.00 C ATOM 526 CE LYS A 33 38.507 33.484 8.283 1.00 0.00 C ATOM 527 NZ LYS A 33 39.154 32.206 8.694 1.00 0.00 N ATOM 0 H LYS A 33 40.491 33.727 12.571 1.00 0.00 H new ATOM 0 HA LYS A 33 41.272 36.358 11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.489 35.122 12.038 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.851 36.555 11.097 1.00 0.00 H new ATOM 0 HG2 LYS A 33 40.188 35.254 9.498 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.088 33.821 10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.598 33.784 10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.680 35.235 9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.577 33.279 7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 33 39.154 34.026 7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 38.665 31.408 8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 40.152 32.212 8.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.098 32.105 9.728 1.00 0.00 H new ATOM 541 N GLU A 34 39.627 36.032 14.518 1.00 0.00 N ATOM 542 CA GLU A 34 39.209 36.782 15.715 1.00 0.00 C ATOM 543 C GLU A 34 40.176 36.626 16.887 1.00 0.00 C ATOM 544 O GLU A 34 39.976 37.236 17.937 1.00 0.00 O ATOM 545 CB GLU A 34 37.820 36.305 16.160 1.00 0.00 C ATOM 546 CG GLU A 34 36.852 36.341 14.978 1.00 0.00 C ATOM 547 CD GLU A 34 36.761 37.756 14.419 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.565 38.086 13.565 1.00 0.00 O ATOM 549 OE2 GLU A 34 35.890 38.489 14.857 1.00 0.00 O ATOM 0 H GLU A 34 39.464 35.026 14.567 1.00 0.00 H new ATOM 0 HA GLU A 34 39.196 37.835 15.435 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.884 35.292 16.557 1.00 0.00 H new ATOM 0 HB3 GLU A 34 37.449 36.940 16.964 1.00 0.00 H new ATOM 0 HG2 GLU A 34 37.189 35.655 14.201 1.00 0.00 H new ATOM 0 HG3 GLU A 34 35.866 36.003 15.295 1.00 0.00 H new ATOM 556 N GLY A 35 41.247 35.869 16.712 1.00 0.00 N ATOM 557 CA GLY A 35 42.231 35.716 17.779 1.00 0.00 C ATOM 558 C GLY A 35 41.613 35.226 19.092 1.00 0.00 C ATOM 559 O GLY A 35 42.179 35.445 20.162 1.00 0.00 O ATOM 0 H GLY A 35 41.458 35.357 15.856 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.000 35.012 17.460 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.726 36.672 17.950 1.00 0.00 H new ATOM 563 N ILE A 36 40.457 34.564 19.016 1.00 0.00 N ATOM 564 CA ILE A 36 39.792 34.053 20.212 1.00 0.00 C ATOM 565 C ILE A 36 40.190 32.587 20.468 1.00 0.00 C ATOM 566 O ILE A 36 39.806 31.709 19.694 1.00 0.00 O ATOM 567 CB ILE A 36 38.286 34.134 20.010 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.931 35.567 19.631 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.572 33.755 21.307 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.426 35.701 19.468 1.00 0.00 C ATOM 0 H ILE A 36 39.966 34.371 18.143 1.00 0.00 H new ATOM 0 HA ILE A 36 40.094 34.653 21.071 1.00 0.00 H new ATOM 0 HB ILE A 36 37.975 33.447 19.223 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.285 36.254 20.400 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.432 35.842 18.703 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.494 33.814 21.159 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.845 32.738 21.589 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.868 34.443 22.099 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.179 36.728 19.197 1.00 0.00 H new ATOM 0 HD12 ILE A 36 36.084 35.026 18.683 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.934 35.445 20.407 1.00 0.00 H new ATOM 582 N PRO A 37 40.929 32.286 21.524 1.00 0.00 N ATOM 583 CA PRO A 37 41.329 30.880 21.831 1.00 0.00 C ATOM 584 C PRO A 37 40.141 29.905 21.704 1.00 0.00 C ATOM 585 O PRO A 37 39.122 30.085 22.374 1.00 0.00 O ATOM 586 CB PRO A 37 41.821 30.960 23.279 1.00 0.00 C ATOM 587 CG PRO A 37 42.350 32.349 23.419 1.00 0.00 C ATOM 588 CD PRO A 37 41.469 33.229 22.524 1.00 0.00 C ATOM 0 HA PRO A 37 42.082 30.501 21.140 1.00 0.00 H new ATOM 0 HB2 PRO A 37 41.012 30.771 23.984 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.595 30.219 23.476 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.306 32.680 24.456 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.394 32.402 23.111 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.672 33.708 23.094 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.046 34.025 22.053 1.00 0.00 H new ATOM 596 N PRO A 38 40.241 28.891 20.869 1.00 0.00 N ATOM 597 CA PRO A 38 39.144 27.897 20.673 1.00 0.00 C ATOM 598 C PRO A 38 38.521 27.422 21.986 1.00 0.00 C ATOM 599 O PRO A 38 37.309 27.227 22.071 1.00 0.00 O ATOM 600 CB PRO A 38 39.835 26.744 19.943 1.00 0.00 C ATOM 601 CG PRO A 38 40.932 27.394 19.171 1.00 0.00 C ATOM 602 CD PRO A 38 41.398 28.580 20.011 1.00 0.00 C ATOM 0 HA PRO A 38 38.307 28.326 20.122 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.226 26.008 20.645 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.143 26.220 19.284 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.751 26.696 18.995 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.578 27.724 18.194 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.277 28.327 20.604 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.669 29.430 19.385 1.00 0.00 H new ATOM 610 N ASP A 39 39.352 27.230 23.004 1.00 0.00 N ATOM 611 CA ASP A 39 38.860 26.765 24.297 1.00 0.00 C ATOM 612 C ASP A 39 37.847 27.737 24.885 1.00 0.00 C ATOM 613 O ASP A 39 36.925 27.333 25.594 1.00 0.00 O ATOM 614 CB ASP A 39 40.026 26.593 25.273 1.00 0.00 C ATOM 615 CG ASP A 39 39.518 26.039 26.601 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.910 24.980 26.585 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.743 26.682 27.614 1.00 0.00 O ATOM 0 H ASP A 39 40.359 27.387 22.962 1.00 0.00 H new ATOM 0 HA ASP A 39 38.368 25.805 24.140 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.770 25.918 24.849 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.520 27.551 25.434 1.00 0.00 H new ATOM 622 N GLN A 40 38.032 29.020 24.603 1.00 0.00 N ATOM 623 CA GLN A 40 37.135 30.044 25.130 1.00 0.00 C ATOM 624 C GLN A 40 35.893 30.201 24.263 1.00 0.00 C ATOM 625 O GLN A 40 34.964 30.911 24.641 1.00 0.00 O ATOM 626 CB GLN A 40 37.860 31.389 25.207 1.00 0.00 C ATOM 627 CG GLN A 40 38.987 31.296 26.236 1.00 0.00 C ATOM 628 CD GLN A 40 39.638 32.662 26.427 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.898 33.737 26.406 1.00 0.00 O flip ATOM 630 NE2 GLN A 40 40.854 32.752 26.600 1.00 0.00 N flip ATOM 0 H GLN A 40 38.788 29.376 24.018 1.00 0.00 H new ATOM 0 HA GLN A 40 36.826 29.726 26.126 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.265 31.654 24.230 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.161 32.177 25.487 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.593 30.936 27.187 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.732 30.572 25.906 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.430 31.911 26.616 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.285 33.668 26.727 1.00 0.00 H new ATOM 639 N GLN A 41 35.873 29.553 23.097 1.00 0.00 N ATOM 640 CA GLN A 41 34.733 29.653 22.188 1.00 0.00 C ATOM 641 C GLN A 41 33.704 28.558 22.444 1.00 0.00 C ATOM 642 O GLN A 41 34.049 27.391 22.641 1.00 0.00 O ATOM 643 CB GLN A 41 35.223 29.546 20.742 1.00 0.00 C ATOM 644 CG GLN A 41 36.049 30.782 20.386 1.00 0.00 C ATOM 645 CD GLN A 41 36.489 30.713 18.927 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.653 30.751 18.024 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.758 30.614 18.640 1.00 0.00 N ATOM 0 H GLN A 41 36.630 28.957 22.762 1.00 0.00 H new ATOM 0 HA GLN A 41 34.255 30.617 22.362 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.825 28.646 20.617 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.373 29.457 20.065 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.460 31.684 20.555 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.922 30.845 21.035 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.449 30.583 19.389 1.00 0.00 H new ATOM 0 HE22 GLN A 41 38.059 30.568 17.666 1.00 0.00 H new ATOM 656 N ARG A 42 32.432 28.952 22.413 1.00 0.00 N ATOM 657 CA ARG A 42 31.315 28.030 22.608 1.00 0.00 C ATOM 658 C ARG A 42 30.386 28.179 21.409 1.00 0.00 C ATOM 659 O ARG A 42 29.834 29.256 21.180 1.00 0.00 O ATOM 660 CB ARG A 42 30.558 28.384 23.896 1.00 0.00 C ATOM 661 CG ARG A 42 31.433 28.092 25.130 1.00 0.00 C ATOM 662 CD ARG A 42 31.303 26.619 25.537 1.00 0.00 C ATOM 663 NE ARG A 42 31.987 26.381 26.802 1.00 0.00 N ATOM 664 CZ ARG A 42 31.744 25.287 27.519 1.00 0.00 C ATOM 665 NH1 ARG A 42 32.374 25.091 28.645 1.00 0.00 N ATOM 666 NH2 ARG A 42 30.874 24.410 27.097 1.00 0.00 N ATOM 0 H ARG A 42 32.147 29.918 22.252 1.00 0.00 H new ATOM 0 HA ARG A 42 31.676 27.005 22.695 1.00 0.00 H new ATOM 0 HB2 ARG A 42 30.277 29.437 23.882 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.634 27.808 23.953 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.475 28.325 24.909 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.132 28.733 25.958 1.00 0.00 H new ATOM 0 HD2 ARG A 42 30.250 26.352 25.629 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.727 25.982 24.761 1.00 0.00 H new ATOM 0 HE ARG A 42 32.663 27.064 27.143 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.053 25.777 28.976 1.00 0.00 H new ATOM 0 HH12 ARG A 42 32.187 24.252 29.194 1.00 0.00 H new ATOM 0 HH21 ARG A 42 30.381 24.564 26.218 1.00 0.00 H new ATOM 0 HH22 ARG A 42 30.688 23.571 27.647 1.00 0.00 H new ATOM 680 N LEU A 43 30.226 27.114 20.627 1.00 0.00 N ATOM 681 CA LEU A 43 29.372 27.178 19.440 1.00 0.00 C ATOM 682 C LEU A 43 27.969 26.676 19.737 1.00 0.00 C ATOM 683 O LEU A 43 27.763 25.498 20.045 1.00 0.00 O ATOM 684 CB LEU A 43 29.971 26.340 18.319 1.00 0.00 C ATOM 685 CG LEU A 43 31.432 26.727 18.067 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.891 26.067 16.772 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.570 28.247 17.932 1.00 0.00 C ATOM 0 H LEU A 43 30.668 26.209 20.788 1.00 0.00 H new ATOM 0 HA LEU A 43 29.312 28.223 19.135 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.910 25.283 18.578 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.391 26.479 17.406 1.00 0.00 H new ATOM 0 HG LEU A 43 32.042 26.394 18.906 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.930 26.332 16.577 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.804 24.984 16.865 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.268 26.412 15.947 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.614 28.503 17.753 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.963 28.595 17.096 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.231 28.726 18.850 1.00 0.00 H new ATOM 699 N ILE A 44 27.005 27.586 19.637 1.00 0.00 N ATOM 700 CA ILE A 44 25.600 27.259 19.894 1.00 0.00 C ATOM 701 C ILE A 44 24.774 27.275 18.602 1.00 0.00 C ATOM 702 O ILE A 44 24.727 28.285 17.892 1.00 0.00 O ATOM 703 CB ILE A 44 25.006 28.281 20.888 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.354 27.885 22.334 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.473 28.331 20.739 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.860 27.647 22.470 1.00 0.00 C ATOM 0 H ILE A 44 27.168 28.559 19.379 1.00 0.00 H new ATOM 0 HA ILE A 44 25.560 26.254 20.314 1.00 0.00 H new ATOM 0 HB ILE A 44 25.430 29.261 20.668 1.00 0.00 H new ATOM 0 HG12 ILE A 44 25.040 28.672 23.020 1.00 0.00 H new ATOM 0 HG13 ILE A 44 24.809 26.983 22.613 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.062 29.054 21.444 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.216 28.629 19.722 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.055 27.346 20.945 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.093 27.368 23.498 1.00 0.00 H new ATOM 0 HD12 ILE A 44 27.164 26.844 21.798 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.397 28.559 22.211 1.00 0.00 H new ATOM 718 N PHE A 45 24.102 26.158 18.334 1.00 0.00 N ATOM 719 CA PHE A 45 23.240 26.038 17.159 1.00 0.00 C ATOM 720 C PHE A 45 21.922 25.379 17.553 1.00 0.00 C ATOM 721 O PHE A 45 21.898 24.219 17.961 1.00 0.00 O ATOM 722 CB PHE A 45 23.926 25.189 16.093 1.00 0.00 C ATOM 723 CG PHE A 45 23.014 25.012 14.905 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.123 25.862 13.799 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.066 23.985 14.908 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.281 25.684 12.695 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.223 23.806 13.805 1.00 0.00 C ATOM 728 CZ PHE A 45 21.332 24.655 12.697 1.00 0.00 C ATOM 0 H PHE A 45 24.137 25.321 18.916 1.00 0.00 H new ATOM 0 HA PHE A 45 23.048 27.034 16.760 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.855 25.665 15.780 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.190 24.216 16.507 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.856 26.655 13.797 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.984 23.329 15.762 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.364 26.341 11.842 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.489 23.014 13.809 1.00 0.00 H new ATOM 0 HZ PHE A 45 20.684 24.516 11.844 1.00 0.00 H new ATOM 738 N ALA A 46 20.829 26.127 17.442 1.00 0.00 N ATOM 739 CA ALA A 46 19.515 25.600 17.796 1.00 0.00 C ATOM 740 C ALA A 46 19.511 25.058 19.226 1.00 0.00 C ATOM 741 O ALA A 46 18.914 24.017 19.504 1.00 0.00 O ATOM 742 CB ALA A 46 19.125 24.485 16.824 1.00 0.00 C ATOM 0 H ALA A 46 20.826 27.092 17.113 1.00 0.00 H new ATOM 0 HA ALA A 46 18.792 26.413 17.732 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.143 24.095 17.093 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.093 24.882 15.809 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.861 23.683 16.876 1.00 0.00 H new ATOM 748 N GLY A 47 20.167 25.779 20.129 1.00 0.00 N ATOM 749 CA GLY A 47 20.220 25.373 21.533 1.00 0.00 C ATOM 750 C GLY A 47 21.027 24.088 21.734 1.00 0.00 C ATOM 751 O GLY A 47 20.920 23.445 22.778 1.00 0.00 O ATOM 0 H GLY A 47 20.667 26.643 19.918 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.663 26.174 22.125 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.206 25.225 21.905 1.00 0.00 H new ATOM 755 N LYS A 48 21.841 23.718 20.741 1.00 0.00 N ATOM 756 CA LYS A 48 22.667 22.505 20.838 1.00 0.00 C ATOM 757 C LYS A 48 24.141 22.849 20.668 1.00 0.00 C ATOM 758 O LYS A 48 24.533 23.429 19.656 1.00 0.00 O ATOM 759 CB LYS A 48 22.272 21.510 19.749 1.00 0.00 C ATOM 760 CG LYS A 48 20.817 21.075 19.935 1.00 0.00 C ATOM 761 CD LYS A 48 20.429 20.096 18.824 1.00 0.00 C ATOM 762 CE LYS A 48 18.977 19.658 19.011 1.00 0.00 C ATOM 763 NZ LYS A 48 18.576 18.776 17.880 1.00 0.00 N ATOM 0 H LYS A 48 21.947 24.234 19.867 1.00 0.00 H new ATOM 0 HA LYS A 48 22.504 22.064 21.822 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.401 21.964 18.767 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.927 20.640 19.786 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.689 20.604 20.910 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.161 21.945 19.913 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.554 20.568 17.849 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.087 19.227 18.845 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.864 19.128 19.957 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.325 20.531 19.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.588 18.477 18.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.669 19.296 16.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.191 17.938 17.859 1.00 0.00 H new ATOM 777 N GLN A 49 24.965 22.474 21.646 1.00 0.00 N ATOM 778 CA GLN A 49 26.391 22.738 21.559 1.00 0.00 C ATOM 779 C GLN A 49 27.051 21.743 20.616 1.00 0.00 C ATOM 780 O GLN A 49 26.807 20.539 20.703 1.00 0.00 O ATOM 781 CB GLN A 49 27.037 22.643 22.932 1.00 0.00 C ATOM 782 CG GLN A 49 26.490 23.751 23.831 1.00 0.00 C ATOM 783 CD GLN A 49 27.108 23.648 25.222 1.00 0.00 C ATOM 784 OE1 GLN A 49 26.881 22.669 25.933 1.00 0.00 O ATOM 785 NE2 GLN A 49 27.881 24.607 25.653 1.00 0.00 N ATOM 0 H GLN A 49 24.670 21.993 22.495 1.00 0.00 H new ATOM 0 HA GLN A 49 26.529 23.748 21.173 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.834 21.668 23.374 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.120 22.733 22.843 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.712 24.726 23.397 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.405 23.672 23.900 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.067 25.417 25.061 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.299 24.547 26.581 1.00 0.00 H new ATOM 794 N LEU A 50 27.861 22.248 19.703 1.00 0.00 N ATOM 795 CA LEU A 50 28.518 21.381 18.735 1.00 0.00 C ATOM 796 C LEU A 50 29.586 20.523 19.409 1.00 0.00 C ATOM 797 O LEU A 50 30.325 20.992 20.274 1.00 0.00 O ATOM 798 CB LEU A 50 29.139 22.226 17.622 1.00 0.00 C ATOM 799 CG LEU A 50 28.041 22.715 16.668 1.00 0.00 C ATOM 800 CD1 LEU A 50 26.970 23.484 17.445 1.00 0.00 C ATOM 801 CD2 LEU A 50 28.654 23.638 15.616 1.00 0.00 C ATOM 0 H LEU A 50 28.079 23.240 19.609 1.00 0.00 H new ATOM 0 HA LEU A 50 27.772 20.713 18.304 1.00 0.00 H new ATOM 0 HB2 LEU A 50 29.667 23.078 18.051 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.875 21.638 17.074 1.00 0.00 H new ATOM 0 HG LEU A 50 27.584 21.851 16.185 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.197 23.826 16.757 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.525 22.830 18.195 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.424 24.344 17.937 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.874 23.986 14.938 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.115 24.494 16.108 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.410 23.094 15.050 1.00 0.00 H new ATOM 813 N GLU A 51 29.644 19.252 19.008 1.00 0.00 N ATOM 814 CA GLU A 51 30.600 18.308 19.564 1.00 0.00 C ATOM 815 C GLU A 51 32.023 18.626 19.107 1.00 0.00 C ATOM 816 O GLU A 51 32.263 18.914 17.931 1.00 0.00 O ATOM 817 CB GLU A 51 30.217 16.888 19.139 1.00 0.00 C ATOM 818 CG GLU A 51 30.819 15.879 20.109 1.00 0.00 C ATOM 819 CD GLU A 51 30.641 14.468 19.564 1.00 0.00 C ATOM 820 OE1 GLU A 51 29.613 14.216 18.957 1.00 0.00 O ATOM 821 OE2 GLU A 51 31.533 13.660 19.761 1.00 0.00 O ATOM 0 H GLU A 51 29.033 18.856 18.294 1.00 0.00 H new ATOM 0 HA GLU A 51 30.573 18.388 20.651 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.132 16.785 19.119 1.00 0.00 H new ATOM 0 HB3 GLU A 51 30.574 16.692 18.128 1.00 0.00 H new ATOM 0 HG2 GLU A 51 31.878 16.090 20.257 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.338 15.966 21.083 1.00 0.00 H new ATOM 828 N ASP A 52 32.954 18.581 20.050 1.00 0.00 N ATOM 829 CA ASP A 52 34.350 18.878 19.770 1.00 0.00 C ATOM 830 C ASP A 52 34.975 17.928 18.740 1.00 0.00 C ATOM 831 O ASP A 52 36.194 17.930 18.573 1.00 0.00 O ATOM 832 CB ASP A 52 35.161 18.799 21.068 1.00 0.00 C ATOM 833 CG ASP A 52 36.528 19.444 20.866 1.00 0.00 C ATOM 834 OD1 ASP A 52 36.575 20.652 20.709 1.00 0.00 O ATOM 835 OD2 ASP A 52 37.510 18.718 20.870 1.00 0.00 O ATOM 0 H ASP A 52 32.764 18.340 21.023 1.00 0.00 H new ATOM 0 HA ASP A 52 34.377 19.882 19.347 1.00 0.00 H new ATOM 0 HB2 ASP A 52 34.626 19.304 21.872 1.00 0.00 H new ATOM 0 HB3 ASP A 52 35.281 17.758 21.369 1.00 0.00 H new ATOM 840 N GLY A 53 34.170 17.108 18.053 1.00 0.00 N ATOM 841 CA GLY A 53 34.748 16.180 17.072 1.00 0.00 C ATOM 842 C GLY A 53 33.750 15.702 16.013 1.00 0.00 C ATOM 843 O GLY A 53 33.937 14.630 15.434 1.00 0.00 O ATOM 0 H GLY A 53 33.156 17.066 18.151 1.00 0.00 H new ATOM 0 HA2 GLY A 53 35.586 16.667 16.574 1.00 0.00 H new ATOM 0 HA3 GLY A 53 35.149 15.313 17.598 1.00 0.00 H new ATOM 847 N ARG A 54 32.705 16.487 15.738 1.00 0.00 N ATOM 848 CA ARG A 54 31.713 16.095 14.718 1.00 0.00 C ATOM 849 C ARG A 54 31.911 16.879 13.419 1.00 0.00 C ATOM 850 O ARG A 54 32.683 17.838 13.364 1.00 0.00 O ATOM 851 CB ARG A 54 30.285 16.320 15.249 1.00 0.00 C ATOM 852 CG ARG A 54 29.856 15.143 16.149 1.00 0.00 C ATOM 853 CD ARG A 54 29.291 13.991 15.303 1.00 0.00 C ATOM 854 NE ARG A 54 28.758 12.946 16.173 1.00 0.00 N ATOM 855 CZ ARG A 54 27.551 13.054 16.715 1.00 0.00 C ATOM 856 NH1 ARG A 54 27.091 12.104 17.481 1.00 0.00 N ATOM 857 NH2 ARG A 54 26.824 14.113 16.483 1.00 0.00 N ATOM 0 H ARG A 54 32.520 17.381 16.193 1.00 0.00 H new ATOM 0 HA ARG A 54 31.857 15.036 14.504 1.00 0.00 H new ATOM 0 HB2 ARG A 54 30.242 17.252 15.813 1.00 0.00 H new ATOM 0 HB3 ARG A 54 29.591 16.420 14.414 1.00 0.00 H new ATOM 0 HG2 ARG A 54 30.710 14.791 16.728 1.00 0.00 H new ATOM 0 HG3 ARG A 54 29.104 15.480 16.863 1.00 0.00 H new ATOM 0 HD2 ARG A 54 28.506 14.363 14.645 1.00 0.00 H new ATOM 0 HD3 ARG A 54 30.073 13.580 14.665 1.00 0.00 H new ATOM 0 HE ARG A 54 29.323 12.119 16.367 1.00 0.00 H new ATOM 0 HH11 ARG A 54 27.659 11.277 17.664 1.00 0.00 H new ATOM 0 HH12 ARG A 54 26.163 12.188 17.897 1.00 0.00 H new ATOM 0 HH21 ARG A 54 27.183 14.857 15.885 1.00 0.00 H new ATOM 0 HH22 ARG A 54 25.897 14.196 16.899 1.00 0.00 H new ATOM 871 N THR A 55 31.194 16.453 12.377 1.00 0.00 N ATOM 872 CA THR A 55 31.264 17.102 11.066 1.00 0.00 C ATOM 873 C THR A 55 30.032 17.971 10.844 1.00 0.00 C ATOM 874 O THR A 55 28.934 17.651 11.320 1.00 0.00 O ATOM 875 CB THR A 55 31.345 16.042 9.963 1.00 0.00 C ATOM 876 OG1 THR A 55 30.282 15.113 10.122 1.00 0.00 O ATOM 877 CG2 THR A 55 32.686 15.307 10.055 1.00 0.00 C ATOM 0 H THR A 55 30.556 15.658 12.416 1.00 0.00 H new ATOM 0 HA THR A 55 32.155 17.729 11.033 1.00 0.00 H new ATOM 0 HB THR A 55 31.264 16.524 8.989 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.332 14.435 9.416 1.00 0.00 H new ATOM 0 HG21 THR A 55 32.742 14.553 9.270 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.501 16.020 9.932 1.00 0.00 H new ATOM 0 HG23 THR A 55 32.770 14.824 11.028 1.00 0.00 H new ATOM 885 N LEU A 56 30.194 19.056 10.096 1.00 0.00 N ATOM 886 CA LEU A 56 29.067 19.918 9.814 1.00 0.00 C ATOM 887 C LEU A 56 27.970 19.105 9.139 1.00 0.00 C ATOM 888 O LEU A 56 26.792 19.313 9.411 1.00 0.00 O ATOM 889 CB LEU A 56 29.502 21.080 8.920 1.00 0.00 C ATOM 890 CG LEU A 56 30.260 22.132 9.747 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.652 21.603 10.118 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.404 23.403 8.913 1.00 0.00 C ATOM 0 H LEU A 56 31.079 19.351 9.684 1.00 0.00 H new ATOM 0 HA LEU A 56 28.683 20.332 10.746 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.139 20.711 8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.629 21.535 8.452 1.00 0.00 H new ATOM 0 HG LEU A 56 29.708 22.345 10.662 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.182 22.354 10.704 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.550 20.690 10.705 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.214 21.388 9.209 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.940 24.157 9.489 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.959 23.179 8.002 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.415 23.781 8.652 1.00 0.00 H new ATOM 904 N SER A 57 28.353 18.187 8.244 1.00 0.00 N ATOM 905 CA SER A 57 27.375 17.368 7.532 1.00 0.00 C ATOM 906 C SER A 57 26.322 16.810 8.481 1.00 0.00 C ATOM 907 O SER A 57 25.129 16.776 8.151 1.00 0.00 O ATOM 908 CB SER A 57 28.086 16.213 6.826 1.00 0.00 C ATOM 909 OG SER A 57 27.124 15.410 6.156 1.00 0.00 O ATOM 0 H SER A 57 29.325 17.996 8.000 1.00 0.00 H new ATOM 0 HA SER A 57 26.875 18.001 6.800 1.00 0.00 H new ATOM 0 HB2 SER A 57 28.814 16.600 6.113 1.00 0.00 H new ATOM 0 HB3 SER A 57 28.637 15.613 7.550 1.00 0.00 H new ATOM 0 HG SER A 57 27.576 14.669 5.701 1.00 0.00 H new ATOM 915 N ASP A 58 26.752 16.404 9.671 1.00 0.00 N ATOM 916 CA ASP A 58 25.813 15.884 10.653 1.00 0.00 C ATOM 917 C ASP A 58 24.833 16.992 11.004 1.00 0.00 C ATOM 918 O ASP A 58 23.640 16.758 11.219 1.00 0.00 O ATOM 919 CB ASP A 58 26.556 15.423 11.912 1.00 0.00 C ATOM 920 CG ASP A 58 27.289 14.111 11.645 1.00 0.00 C ATOM 921 OD1 ASP A 58 27.683 13.894 10.511 1.00 0.00 O ATOM 922 OD2 ASP A 58 27.445 13.341 12.580 1.00 0.00 O ATOM 0 H ASP A 58 27.726 16.424 9.973 1.00 0.00 H new ATOM 0 HA ASP A 58 25.282 15.026 10.241 1.00 0.00 H new ATOM 0 HB2 ASP A 58 27.267 16.188 12.223 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.850 15.292 12.732 1.00 0.00 H new ATOM 927 N TYR A 59 25.364 18.211 11.043 1.00 0.00 N ATOM 928 CA TYR A 59 24.563 19.390 11.353 1.00 0.00 C ATOM 929 C TYR A 59 23.909 19.971 10.089 1.00 0.00 C ATOM 930 O TYR A 59 23.128 20.920 10.173 1.00 0.00 O ATOM 931 CB TYR A 59 25.456 20.448 12.004 1.00 0.00 C ATOM 932 CG TYR A 59 25.834 20.008 13.401 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.097 19.451 13.641 1.00 0.00 C ATOM 934 CD2 TYR A 59 24.925 20.159 14.456 1.00 0.00 C ATOM 935 CE1 TYR A 59 27.450 19.046 14.934 1.00 0.00 C ATOM 936 CE2 TYR A 59 25.279 19.753 15.750 1.00 0.00 C ATOM 937 CZ TYR A 59 26.542 19.196 15.987 1.00 0.00 C ATOM 938 OH TYR A 59 26.890 18.796 17.262 1.00 0.00 O ATOM 0 H TYR A 59 26.349 18.408 10.863 1.00 0.00 H new ATOM 0 HA TYR A 59 23.768 19.096 12.038 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.354 20.599 11.405 1.00 0.00 H new ATOM 0 HB3 TYR A 59 24.934 21.404 12.042 1.00 0.00 H new ATOM 0 HD1 TYR A 59 27.799 19.334 12.828 1.00 0.00 H new ATOM 0 HD2 TYR A 59 23.951 20.588 14.272 1.00 0.00 H new ATOM 0 HE1 TYR A 59 28.424 18.618 15.118 1.00 0.00 H new ATOM 0 HE2 TYR A 59 24.578 19.870 16.564 1.00 0.00 H new ATOM 0 HH TYR A 59 26.145 18.972 17.875 1.00 0.00 H new ATOM 948 N ASN A 60 24.222 19.405 8.918 1.00 0.00 N ATOM 949 CA ASN A 60 23.642 19.896 7.663 1.00 0.00 C ATOM 950 C ASN A 60 22.267 19.280 7.436 1.00 0.00 C ATOM 951 O ASN A 60 21.378 19.917 6.880 1.00 0.00 O ATOM 952 CB ASN A 60 24.553 19.569 6.479 1.00 0.00 C ATOM 953 CG ASN A 60 24.036 20.265 5.221 1.00 0.00 C ATOM 954 OD1 ASN A 60 23.473 21.357 5.301 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.194 19.695 4.057 1.00 0.00 N ATOM 0 H ASN A 60 24.863 18.619 8.813 1.00 0.00 H new ATOM 0 HA ASN A 60 23.541 20.979 7.740 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.572 19.892 6.692 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.587 18.491 6.321 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.851 20.154 3.213 1.00 0.00 H new ATOM 0 HD22 ASN A 60 24.661 18.790 3.991 1.00 0.00 H new ATOM 962 N ILE A 61 22.092 18.039 7.877 1.00 0.00 N ATOM 963 CA ILE A 61 20.802 17.372 7.723 1.00 0.00 C ATOM 964 C ILE A 61 19.769 18.092 8.587 1.00 0.00 C ATOM 965 O ILE A 61 18.718 18.512 8.103 1.00 0.00 O ATOM 966 CB ILE A 61 20.915 15.904 8.148 1.00 0.00 C ATOM 967 CG1 ILE A 61 22.042 15.238 7.358 1.00 0.00 C ATOM 968 CG2 ILE A 61 19.596 15.183 7.869 1.00 0.00 C ATOM 969 CD1 ILE A 61 22.322 13.848 7.934 1.00 0.00 C ATOM 0 H ILE A 61 22.812 17.482 8.336 1.00 0.00 H new ATOM 0 HA ILE A 61 20.493 17.405 6.678 1.00 0.00 H new ATOM 0 HB ILE A 61 21.133 15.849 9.215 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.765 15.158 6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.943 15.850 7.404 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.680 14.140 8.173 1.00 0.00 H new ATOM 0 HG22 ILE A 61 18.794 15.661 8.432 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.372 15.234 6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.126 13.375 7.369 1.00 0.00 H new ATOM 0 HD12 ILE A 61 22.618 13.940 8.979 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.422 13.237 7.865 1.00 0.00 H new ATOM 981 N GLN A 62 20.091 18.219 9.872 1.00 0.00 N ATOM 982 CA GLN A 62 19.206 18.882 10.820 1.00 0.00 C ATOM 983 C GLN A 62 19.136 20.378 10.505 1.00 0.00 C ATOM 984 O GLN A 62 19.253 21.211 11.403 1.00 0.00 O ATOM 985 CB GLN A 62 19.744 18.683 12.242 1.00 0.00 C ATOM 986 CG GLN A 62 19.469 17.250 12.706 1.00 0.00 C ATOM 987 CD GLN A 62 20.006 17.048 14.120 1.00 0.00 C ATOM 988 OE1 GLN A 62 21.034 17.622 14.482 1.00 0.00 O ATOM 989 NE2 GLN A 62 19.368 16.265 14.947 1.00 0.00 N ATOM 0 H GLN A 62 20.959 17.871 10.279 1.00 0.00 H new ATOM 0 HA GLN A 62 18.207 18.452 10.743 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.815 18.883 12.267 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.271 19.392 12.922 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.398 17.051 12.683 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.940 16.541 12.025 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.517 15.790 14.646 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.721 16.128 15.894 1.00 0.00 H new ATOM 998 N LYS A 63 18.937 20.714 9.222 1.00 0.00 N ATOM 999 CA LYS A 63 18.844 22.112 8.807 1.00 0.00 C ATOM 1000 C LYS A 63 17.482 22.722 9.163 1.00 0.00 C ATOM 1001 O LYS A 63 16.745 23.158 8.277 1.00 0.00 O ATOM 1002 CB LYS A 63 19.090 22.243 7.291 1.00 0.00 C ATOM 1003 CG LYS A 63 19.241 23.727 6.909 1.00 0.00 C ATOM 1004 CD LYS A 63 19.931 23.849 5.546 1.00 0.00 C ATOM 1005 CE LYS A 63 19.921 25.314 5.102 1.00 0.00 C ATOM 1006 NZ LYS A 63 18.550 25.689 4.653 1.00 0.00 N ATOM 0 H LYS A 63 18.839 20.040 8.463 1.00 0.00 H new ATOM 0 HA LYS A 63 19.614 22.661 9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.989 21.694 7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.261 21.800 6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.261 24.204 6.874 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.823 24.249 7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.956 23.484 5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.418 23.230 4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.234 25.956 5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.634 25.464 4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.595 26.564 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.155 24.924 4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.942 25.841 5.483 1.00 0.00 H new ATOM 1020 N GLU A 64 17.160 22.757 10.454 1.00 0.00 N ATOM 1021 CA GLU A 64 15.890 23.329 10.902 1.00 0.00 C ATOM 1022 C GLU A 64 15.766 24.764 10.395 1.00 0.00 C ATOM 1023 O GLU A 64 14.692 25.203 9.990 1.00 0.00 O ATOM 1024 CB GLU A 64 15.832 23.324 12.437 1.00 0.00 C ATOM 1025 CG GLU A 64 15.782 21.885 12.952 1.00 0.00 C ATOM 1026 CD GLU A 64 15.592 21.879 14.466 1.00 0.00 C ATOM 1027 OE1 GLU A 64 16.347 22.559 15.143 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.693 21.194 14.928 1.00 0.00 O ATOM 0 H GLU A 64 17.754 22.400 11.203 1.00 0.00 H new ATOM 0 HA GLU A 64 15.069 22.731 10.506 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.705 23.835 12.844 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.954 23.872 12.778 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.965 21.347 12.472 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.703 21.364 12.691 1.00 0.00 H new HETATM 1035 N SEP A 65 16.881 25.491 10.419 1.00 0.00 N HETATM 1036 CA SEP A 65 16.917 26.880 9.952 1.00 0.00 C HETATM 1037 CB SEP A 65 17.113 27.831 11.130 1.00 0.00 C HETATM 1038 OG SEP A 65 17.027 29.172 10.672 1.00 0.00 O HETATM 1039 C SEP A 65 18.058 27.042 8.958 1.00 0.00 C HETATM 1040 O SEP A 65 18.389 26.112 8.219 1.00 0.00 O HETATM 1041 P SEP A 65 16.919 30.317 11.691 1.00 0.00 P HETATM 1042 O1P SEP A 65 15.522 30.977 11.427 1.00 0.00 O HETATM 1043 O2P SEP A 65 18.124 31.268 11.376 1.00 0.00 O HETATM 1044 O3P SEP A 65 17.024 29.629 13.095 1.00 0.00 O HETATM 0 HB3 SEP A 65 16.355 27.646 11.891 1.00 0.00 H new HETATM 0 HB2 SEP A 65 18.083 27.656 11.596 1.00 0.00 H new HETATM 0 HA SEP A 65 15.971 27.122 9.468 1.00 0.00 H new ATOM 1049 N THR A 66 18.677 28.221 8.947 1.00 0.00 N ATOM 1050 CA THR A 66 19.809 28.478 8.056 1.00 0.00 C ATOM 1051 C THR A 66 21.106 28.171 8.804 1.00 0.00 C ATOM 1052 O THR A 66 21.073 27.828 9.989 1.00 0.00 O ATOM 1053 CB THR A 66 19.802 29.944 7.597 1.00 0.00 C ATOM 1054 OG1 THR A 66 20.645 30.078 6.463 1.00 0.00 O ATOM 1055 CG2 THR A 66 20.313 30.850 8.721 1.00 0.00 C ATOM 0 H THR A 66 18.417 29.009 9.540 1.00 0.00 H new ATOM 0 HA THR A 66 19.731 27.841 7.175 1.00 0.00 H new ATOM 0 HB THR A 66 18.784 30.237 7.342 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.644 31.011 6.163 1.00 0.00 H new ATOM 0 HG21 THR A 66 20.304 31.887 8.385 1.00 0.00 H new ATOM 0 HG22 THR A 66 19.668 30.746 9.594 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.331 30.563 8.985 1.00 0.00 H new ATOM 1063 N LEU A 67 22.248 28.284 8.126 1.00 0.00 N ATOM 1064 CA LEU A 67 23.532 27.989 8.753 1.00 0.00 C ATOM 1065 C LEU A 67 23.999 29.154 9.616 1.00 0.00 C ATOM 1066 O LEU A 67 25.165 29.555 9.573 1.00 0.00 O ATOM 1067 CB LEU A 67 24.572 27.717 7.655 1.00 0.00 C ATOM 1068 CG LEU A 67 24.094 26.569 6.744 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.857 26.600 5.413 1.00 0.00 C ATOM 1070 CD2 LEU A 67 24.339 25.220 7.432 1.00 0.00 C ATOM 0 H LEU A 67 22.309 28.575 7.150 1.00 0.00 H new ATOM 0 HA LEU A 67 23.418 27.114 9.393 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.732 28.618 7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.530 27.458 8.107 1.00 0.00 H new ATOM 0 HG LEU A 67 23.028 26.695 6.554 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.512 25.785 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.678 27.552 4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.924 26.485 5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.999 24.413 6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 67 25.404 25.101 7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.788 25.186 8.372 1.00 0.00 H new ATOM 1082 N HIS A 68 23.074 29.672 10.410 1.00 0.00 N ATOM 1083 CA HIS A 68 23.375 30.776 11.310 1.00 0.00 C ATOM 1084 C HIS A 68 24.020 30.227 12.568 1.00 0.00 C ATOM 1085 O HIS A 68 23.419 29.437 13.297 1.00 0.00 O ATOM 1086 CB HIS A 68 22.087 31.517 11.678 1.00 0.00 C ATOM 1087 CG HIS A 68 21.128 30.558 12.331 1.00 0.00 C ATOM 1088 ND1 HIS A 68 21.210 29.188 12.140 1.00 0.00 N ATOM 1089 CD2 HIS A 68 20.060 30.757 13.172 1.00 0.00 C ATOM 1090 CE1 HIS A 68 20.217 28.620 12.850 1.00 0.00 C ATOM 1091 NE2 HIS A 68 19.488 29.531 13.499 1.00 0.00 N ATOM 0 H HIS A 68 22.108 29.346 10.450 1.00 0.00 H new ATOM 0 HA HIS A 68 24.055 31.471 10.817 1.00 0.00 H new ATOM 0 HB2 HIS A 68 22.310 32.343 12.354 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.635 31.949 10.785 1.00 0.00 H new ATOM 0 HD2 HIS A 68 19.717 31.718 13.525 1.00 0.00 H new ATOM 0 HE1 HIS A 68 20.033 27.557 12.890 1.00 0.00 H new ATOM 0 HE2 HIS A 68 18.684 29.364 14.105 1.00 0.00 H new ATOM 1100 N LEU A 69 25.258 30.639 12.812 1.00 0.00 N ATOM 1101 CA LEU A 69 26.005 30.183 13.970 1.00 0.00 C ATOM 1102 C LEU A 69 26.125 31.297 15.001 1.00 0.00 C ATOM 1103 O LEU A 69 26.460 32.431 14.659 1.00 0.00 O ATOM 1104 CB LEU A 69 27.404 29.737 13.502 1.00 0.00 C ATOM 1105 CG LEU A 69 27.929 28.580 14.371 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.876 28.974 15.856 1.00 0.00 C ATOM 1107 CD2 LEU A 69 27.072 27.315 14.134 1.00 0.00 C ATOM 0 H LEU A 69 25.766 31.293 12.216 1.00 0.00 H new ATOM 0 HA LEU A 69 25.484 29.348 14.438 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.360 29.423 12.459 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.095 30.579 13.553 1.00 0.00 H new ATOM 0 HG LEU A 69 28.962 28.369 14.095 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.249 28.150 16.465 1.00 0.00 H new ATOM 0 HD12 LEU A 69 28.495 29.856 16.021 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.846 29.195 16.137 1.00 0.00 H new ATOM 0 HD21 LEU A 69 27.448 26.500 14.752 1.00 0.00 H new ATOM 0 HD22 LEU A 69 26.035 27.523 14.399 1.00 0.00 H new ATOM 0 HD23 LEU A 69 27.127 27.030 13.083 1.00 0.00 H new ATOM 1119 N VAL A 70 25.887 30.959 16.267 1.00 0.00 N ATOM 1120 CA VAL A 70 26.005 31.935 17.344 1.00 0.00 C ATOM 1121 C VAL A 70 27.308 31.705 18.093 1.00 0.00 C ATOM 1122 O VAL A 70 27.550 30.622 18.627 1.00 0.00 O ATOM 1123 CB VAL A 70 24.816 31.804 18.299 1.00 0.00 C ATOM 1124 CG1 VAL A 70 25.060 32.648 19.554 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.557 32.303 17.593 1.00 0.00 C ATOM 0 H VAL A 70 25.614 30.024 16.569 1.00 0.00 H new ATOM 0 HA VAL A 70 26.006 32.941 16.924 1.00 0.00 H new ATOM 0 HB VAL A 70 24.695 30.760 18.588 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.210 32.550 20.229 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.964 32.301 20.056 1.00 0.00 H new ATOM 0 HG13 VAL A 70 25.180 33.694 19.271 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.703 32.214 18.265 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.688 33.347 17.310 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.379 31.704 16.700 1.00 0.00 H new ATOM 1135 N LEU A 71 28.150 32.736 18.128 1.00 0.00 N ATOM 1136 CA LEU A 71 29.434 32.642 18.812 1.00 0.00 C ATOM 1137 C LEU A 71 29.336 33.177 20.235 1.00 0.00 C ATOM 1138 O LEU A 71 28.990 34.340 20.453 1.00 0.00 O ATOM 1139 CB LEU A 71 30.504 33.425 18.041 1.00 0.00 C ATOM 1140 CG LEU A 71 31.835 33.412 18.815 1.00 0.00 C ATOM 1141 CD1 LEU A 71 32.235 31.968 19.163 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.931 34.048 17.954 1.00 0.00 C ATOM 0 H LEU A 71 27.966 33.640 17.693 1.00 0.00 H new ATOM 0 HA LEU A 71 29.715 31.590 18.855 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.645 32.986 17.053 1.00 0.00 H new ATOM 0 HB3 LEU A 71 30.174 34.453 17.889 1.00 0.00 H new ATOM 0 HG LEU A 71 31.713 33.979 19.738 1.00 0.00 H new ATOM 0 HD11 LEU A 71 33.178 31.973 19.710 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.460 31.514 19.781 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.351 31.391 18.245 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.874 34.040 18.501 1.00 0.00 H new ATOM 0 HD22 LEU A 71 33.042 33.481 17.030 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.658 35.076 17.718 1.00 0.00 H new ATOM 1154 N ARG A 72 29.667 32.322 21.197 1.00 0.00 N ATOM 1155 CA ARG A 72 29.644 32.691 22.612 1.00 0.00 C ATOM 1156 C ARG A 72 31.049 32.533 23.190 1.00 0.00 C ATOM 1157 O ARG A 72 31.820 31.690 22.733 1.00 0.00 O ATOM 1158 CB ARG A 72 28.663 31.777 23.367 1.00 0.00 C ATOM 1159 CG ARG A 72 27.237 32.349 23.298 1.00 0.00 C ATOM 1160 CD ARG A 72 26.298 31.504 24.163 1.00 0.00 C ATOM 1161 NE ARG A 72 24.943 32.045 24.114 1.00 0.00 N ATOM 1162 CZ ARG A 72 24.009 31.642 24.968 1.00 0.00 C ATOM 1163 NH1 ARG A 72 22.805 32.142 24.904 1.00 0.00 N ATOM 1164 NH2 ARG A 72 24.297 30.743 25.870 1.00 0.00 N ATOM 0 H ARG A 72 29.957 31.360 21.022 1.00 0.00 H new ATOM 0 HA ARG A 72 29.319 33.726 22.719 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.682 30.777 22.935 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.973 31.680 24.407 1.00 0.00 H new ATOM 0 HG2 ARG A 72 27.233 33.383 23.643 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.888 32.356 22.266 1.00 0.00 H new ATOM 0 HD2 ARG A 72 26.298 30.472 23.812 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.655 31.490 25.193 1.00 0.00 H new ATOM 0 HE ARG A 72 24.709 32.746 23.411 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.581 32.843 24.198 1.00 0.00 H new ATOM 0 HH12 ARG A 72 22.088 31.832 25.560 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.238 30.352 25.918 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.581 30.432 26.527 1.00 0.00 H new ATOM 1178 N LEU A 73 31.377 33.340 24.199 1.00 0.00 N ATOM 1179 CA LEU A 73 32.697 33.277 24.836 1.00 0.00 C ATOM 1180 C LEU A 73 32.555 33.014 26.335 1.00 0.00 C ATOM 1181 O LEU A 73 31.544 33.358 26.943 1.00 0.00 O ATOM 1182 CB LEU A 73 33.461 34.596 24.603 1.00 0.00 C ATOM 1183 CG LEU A 73 32.473 35.774 24.534 1.00 0.00 C ATOM 1184 CD1 LEU A 73 31.694 35.895 25.854 1.00 0.00 C ATOM 1185 CD2 LEU A 73 33.246 37.071 24.278 1.00 0.00 C ATOM 0 H LEU A 73 30.752 34.043 24.593 1.00 0.00 H new ATOM 0 HA LEU A 73 33.259 32.457 24.389 1.00 0.00 H new ATOM 0 HB2 LEU A 73 34.177 34.758 25.409 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.032 34.536 23.677 1.00 0.00 H new ATOM 0 HG LEU A 73 31.767 35.597 23.722 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.999 36.732 25.791 1.00 0.00 H new ATOM 0 HD12 LEU A 73 31.138 34.975 26.034 1.00 0.00 H new ATOM 0 HD13 LEU A 73 32.392 36.064 26.674 1.00 0.00 H new ATOM 0 HD21 LEU A 73 32.548 37.907 24.229 1.00 0.00 H new ATOM 0 HD22 LEU A 73 33.955 37.238 25.089 1.00 0.00 H new ATOM 0 HD23 LEU A 73 33.786 36.993 23.334 1.00 0.00 H new ATOM 1197 N ARG A 74 33.577 32.402 26.924 1.00 0.00 N ATOM 1198 CA ARG A 74 33.554 32.101 28.353 1.00 0.00 C ATOM 1199 C ARG A 74 33.912 33.339 29.171 1.00 0.00 C ATOM 1200 O ARG A 74 34.424 34.322 28.635 1.00 0.00 O ATOM 1201 CB ARG A 74 34.551 30.980 28.667 1.00 0.00 C ATOM 1202 CG ARG A 74 34.082 29.679 28.012 1.00 0.00 C ATOM 1203 CD ARG A 74 34.996 28.530 28.440 1.00 0.00 C ATOM 1204 NE ARG A 74 34.702 27.333 27.661 1.00 0.00 N ATOM 1205 CZ ARG A 74 35.478 26.255 27.736 1.00 0.00 C ATOM 1206 NH1 ARG A 74 35.187 25.193 27.036 1.00 0.00 N ATOM 1207 NH2 ARG A 74 36.530 26.259 28.507 1.00 0.00 N ATOM 0 H ARG A 74 34.425 32.106 26.440 1.00 0.00 H new ATOM 0 HA ARG A 74 32.546 31.781 28.619 1.00 0.00 H new ATOM 0 HB2 ARG A 74 35.542 31.247 28.300 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.636 30.846 29.745 1.00 0.00 H new ATOM 0 HG2 ARG A 74 33.053 29.465 28.301 1.00 0.00 H new ATOM 0 HG3 ARG A 74 34.094 29.782 26.927 1.00 0.00 H new ATOM 0 HD2 ARG A 74 36.039 28.815 28.302 1.00 0.00 H new ATOM 0 HD3 ARG A 74 34.860 28.324 29.502 1.00 0.00 H new ATOM 0 HE ARG A 74 33.887 27.322 27.048 1.00 0.00 H new ATOM 0 HH11 ARG A 74 34.365 25.190 26.432 1.00 0.00 H new ATOM 0 HH12 ARG A 74 35.781 24.366 27.093 1.00 0.00 H new ATOM 0 HH21 ARG A 74 36.759 27.089 29.053 1.00 0.00 H new ATOM 0 HH22 ARG A 74 37.124 25.432 28.564 1.00 0.00 H new ATOM 1221 N GLY A 75 33.637 33.282 30.470 1.00 0.00 N ATOM 1222 CA GLY A 75 33.935 34.404 31.354 1.00 0.00 C ATOM 1223 C GLY A 75 33.928 33.963 32.815 1.00 0.00 C ATOM 1224 O GLY A 75 34.976 33.905 33.460 1.00 0.00 O ATOM 0 H GLY A 75 33.212 32.478 30.932 1.00 0.00 H new ATOM 0 HA2 GLY A 75 34.909 34.823 31.101 1.00 0.00 H new ATOM 0 HA3 GLY A 75 33.200 35.195 31.205 1.00 0.00 H new ATOM 1228 N GLY A 76 32.744 33.654 33.330 1.00 0.00 N ATOM 1229 CA GLY A 76 32.614 33.220 34.715 1.00 0.00 C ATOM 1230 C GLY A 76 33.047 34.324 35.673 1.00 0.00 C ATOM 1231 O GLY A 76 33.671 35.267 35.216 1.00 0.00 O ATOM 1232 OXT GLY A 76 32.747 34.212 36.851 1.00 0.00 O ATOM 0 H GLY A 76 31.866 33.695 32.813 1.00 0.00 H new ATOM 0 HA2 GLY A 76 31.580 32.942 34.918 1.00 0.00 H new ATOM 0 HA3 GLY A 76 33.222 32.330 34.880 1.00 0.00 H new TER 1236 GLY A 76