USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 THR OG1 : rot -62:sc= 0.788 USER MOD Set 1.2: A 41 GLN :FLIP amide:sc= -1.12 F(o=-2.2!,f=-0.33) USER MOD Single : A 1 MET CE :methyl -168:sc= -0.903 (180deg=-1.7!) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.226 (180deg=-0.795) USER MOD Single : A 2 GLN : amide:sc= -0.0343 K(o=-0.034,f=-2.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -121:sc= -1.44 (180deg=-3.72!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 8:sc= 0.0862 USER MOD Single : A 14 THR OG1 : rot 49:sc= 1.16 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.006) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc=-0.00453 K(o=-0.0045,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= -0.0757 (180deg=-0.641) USER MOD Single : A 40 GLN : amide:sc= -0.369 K(o=-0.37,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0272 K(o=-0.027,f=-1.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00485 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.135 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.288 F(o=-2,f=-0.29) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -93:sc= 1.14 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -4.93! C(o=-4.9!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.819 23.757 2.239 1.00 0.00 N ATOM 2 CA MET A 1 24.991 24.810 2.892 1.00 0.00 C ATOM 3 C MET A 1 25.885 25.691 3.763 1.00 0.00 C ATOM 4 O MET A 1 26.538 25.208 4.689 1.00 0.00 O ATOM 5 CB MET A 1 23.907 24.144 3.748 1.00 0.00 C ATOM 6 CG MET A 1 24.489 22.907 4.442 1.00 0.00 C ATOM 7 SD MET A 1 23.267 22.216 5.585 1.00 0.00 S ATOM 8 CE MET A 1 23.221 23.599 6.753 1.00 0.00 C ATOM 0 H1 MET A 1 25.199 23.014 1.858 1.00 0.00 H new ATOM 0 H2 MET A 1 26.370 24.179 1.464 1.00 0.00 H new ATOM 0 H3 MET A 1 26.467 23.342 2.938 1.00 0.00 H new ATOM 0 HA MET A 1 24.514 25.430 2.133 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.532 24.848 4.491 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.060 23.859 3.124 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.770 22.160 3.699 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.396 23.175 4.983 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.688 23.297 7.654 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.239 23.889 7.014 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.709 24.445 6.295 1.00 0.00 H new ATOM 18 N GLN A 2 25.907 26.985 3.458 1.00 0.00 N ATOM 19 CA GLN A 2 26.721 27.934 4.217 1.00 0.00 C ATOM 20 C GLN A 2 25.925 28.512 5.382 1.00 0.00 C ATOM 21 O GLN A 2 24.726 28.266 5.513 1.00 0.00 O ATOM 22 CB GLN A 2 27.181 29.072 3.302 1.00 0.00 C ATOM 23 CG GLN A 2 28.265 28.561 2.351 1.00 0.00 C ATOM 24 CD GLN A 2 28.708 29.682 1.418 1.00 0.00 C ATOM 25 OE1 GLN A 2 28.126 30.766 1.430 1.00 0.00 O ATOM 26 NE2 GLN A 2 29.713 29.488 0.609 1.00 0.00 N ATOM 0 H GLN A 2 25.374 27.401 2.694 1.00 0.00 H new ATOM 0 HA GLN A 2 27.589 27.406 4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.336 29.458 2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 2 27.567 29.898 3.899 1.00 0.00 H new ATOM 0 HG2 GLN A 2 29.118 28.193 2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.884 27.721 1.770 1.00 0.00 H new ATOM 0 HE21 GLN A 2 30.194 28.589 0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 2 30.017 30.236 -0.015 1.00 0.00 H new ATOM 35 N ILE A 3 26.602 29.295 6.221 1.00 0.00 N ATOM 36 CA ILE A 3 25.959 29.924 7.374 1.00 0.00 C ATOM 37 C ILE A 3 26.571 31.296 7.619 1.00 0.00 C ATOM 38 O ILE A 3 27.770 31.493 7.426 1.00 0.00 O ATOM 39 CB ILE A 3 26.130 29.053 8.621 1.00 0.00 C ATOM 40 CG1 ILE A 3 27.613 28.707 8.804 1.00 0.00 C ATOM 41 CG2 ILE A 3 25.315 27.769 8.461 1.00 0.00 C ATOM 42 CD1 ILE A 3 27.819 28.024 10.158 1.00 0.00 C ATOM 0 H ILE A 3 27.595 29.509 6.124 1.00 0.00 H new ATOM 0 HA ILE A 3 24.895 30.033 7.165 1.00 0.00 H new ATOM 0 HB ILE A 3 25.777 29.597 9.497 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.945 28.050 8.000 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.218 29.612 8.746 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.436 27.148 9.349 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.262 28.020 8.335 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.665 27.222 7.585 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.874 27.779 10.285 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.503 28.696 10.956 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.227 27.110 10.198 1.00 0.00 H new ATOM 54 N PHE A 4 25.741 32.251 8.031 1.00 0.00 N ATOM 55 CA PHE A 4 26.215 33.612 8.285 1.00 0.00 C ATOM 56 C PHE A 4 26.436 33.844 9.775 1.00 0.00 C ATOM 57 O PHE A 4 25.493 33.864 10.566 1.00 0.00 O ATOM 58 CB PHE A 4 25.200 34.628 7.747 1.00 0.00 C ATOM 59 CG PHE A 4 24.665 34.204 6.384 1.00 0.00 C ATOM 60 CD1 PHE A 4 25.445 33.438 5.493 1.00 0.00 C ATOM 61 CD2 PHE A 4 23.375 34.600 6.005 1.00 0.00 C ATOM 62 CE1 PHE A 4 24.931 33.078 4.243 1.00 0.00 C ATOM 63 CE2 PHE A 4 22.866 34.235 4.752 1.00 0.00 C ATOM 64 CZ PHE A 4 23.644 33.475 3.873 1.00 0.00 C ATOM 0 H PHE A 4 24.744 32.111 8.196 1.00 0.00 H new ATOM 0 HA PHE A 4 27.168 33.743 7.771 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.373 34.727 8.450 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.670 35.608 7.667 1.00 0.00 H new ATOM 0 HD1 PHE A 4 26.440 33.129 5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 4 22.772 35.188 6.681 1.00 0.00 H new ATOM 0 HE1 PHE A 4 25.531 32.492 3.562 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.871 34.541 4.464 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.249 33.195 2.907 1.00 0.00 H new ATOM 74 N VAL A 5 27.700 34.029 10.138 1.00 0.00 N ATOM 75 CA VAL A 5 28.081 34.274 11.526 1.00 0.00 C ATOM 76 C VAL A 5 27.908 35.757 11.851 1.00 0.00 C ATOM 77 O VAL A 5 28.406 36.620 11.130 1.00 0.00 O ATOM 78 CB VAL A 5 29.560 33.853 11.754 1.00 0.00 C ATOM 79 CG1 VAL A 5 29.633 32.466 12.403 1.00 0.00 C ATOM 80 CG2 VAL A 5 30.292 33.815 10.408 1.00 0.00 C ATOM 0 H VAL A 5 28.484 34.014 9.486 1.00 0.00 H new ATOM 0 HA VAL A 5 27.441 33.684 12.182 1.00 0.00 H new ATOM 0 HB VAL A 5 30.030 34.579 12.417 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.676 32.190 12.554 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.120 32.487 13.365 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.154 31.734 11.752 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.329 33.520 10.566 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.806 33.095 9.750 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.262 34.803 9.949 1.00 0.00 H new ATOM 90 N LYS A 6 27.210 36.046 12.943 1.00 0.00 N ATOM 91 CA LYS A 6 26.996 37.430 13.355 1.00 0.00 C ATOM 92 C LYS A 6 28.185 37.918 14.176 1.00 0.00 C ATOM 93 O LYS A 6 28.266 37.668 15.378 1.00 0.00 O ATOM 94 CB LYS A 6 25.716 37.539 14.184 1.00 0.00 C ATOM 95 CG LYS A 6 25.432 39.011 14.492 1.00 0.00 C ATOM 96 CD LYS A 6 24.148 39.125 15.314 1.00 0.00 C ATOM 97 CE LYS A 6 23.888 40.594 15.651 1.00 0.00 C ATOM 98 NZ LYS A 6 22.744 40.691 16.600 1.00 0.00 N1+ ATOM 0 H LYS A 6 26.786 35.349 13.555 1.00 0.00 H new ATOM 0 HA LYS A 6 26.897 38.051 12.465 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.879 37.102 13.639 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.821 36.976 15.111 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.267 39.446 15.041 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.333 39.574 13.564 1.00 0.00 H new ATOM 0 HD2 LYS A 6 23.307 38.715 14.754 1.00 0.00 H new ATOM 0 HD3 LYS A 6 24.237 38.541 16.230 1.00 0.00 H new ATOM 0 HE2 LYS A 6 24.779 41.040 16.092 1.00 0.00 H new ATOM 0 HE3 LYS A 6 23.668 41.153 14.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.567 41.690 16.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.894 40.280 16.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.971 40.171 17.471 1.00 0.00 H new ATOM 112 N GLY A 7 29.109 38.608 13.516 1.00 0.00 N ATOM 113 CA GLY A 7 30.296 39.117 14.192 1.00 0.00 C ATOM 114 C GLY A 7 29.952 40.299 15.090 1.00 0.00 C ATOM 115 O GLY A 7 28.886 40.901 14.962 1.00 0.00 O ATOM 0 H GLY A 7 29.060 38.826 12.521 1.00 0.00 H new ATOM 0 HA2 GLY A 7 30.748 38.323 14.787 1.00 0.00 H new ATOM 0 HA3 GLY A 7 31.037 39.422 13.453 1.00 0.00 H new ATOM 119 N LEU A 8 30.865 40.622 16.000 1.00 0.00 N ATOM 120 CA LEU A 8 30.660 41.732 16.924 1.00 0.00 C ATOM 121 C LEU A 8 30.593 43.059 16.171 1.00 0.00 C ATOM 122 O LEU A 8 29.759 43.912 16.473 1.00 0.00 O ATOM 123 CB LEU A 8 31.809 41.779 17.937 1.00 0.00 C ATOM 124 CG LEU A 8 31.756 40.541 18.860 1.00 0.00 C ATOM 125 CD1 LEU A 8 33.156 40.241 19.402 1.00 0.00 C ATOM 126 CD2 LEU A 8 30.814 40.804 20.044 1.00 0.00 C ATOM 0 H LEU A 8 31.752 40.132 16.118 1.00 0.00 H new ATOM 0 HA LEU A 8 29.715 41.577 17.444 1.00 0.00 H new ATOM 0 HB2 LEU A 8 32.764 41.811 17.413 1.00 0.00 H new ATOM 0 HB3 LEU A 8 31.742 42.689 18.533 1.00 0.00 H new ATOM 0 HG LEU A 8 31.389 39.692 18.283 1.00 0.00 H new ATOM 0 HD11 LEU A 8 33.115 39.367 20.053 1.00 0.00 H new ATOM 0 HD12 LEU A 8 33.833 40.043 18.571 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.518 41.099 19.969 1.00 0.00 H new ATOM 0 HD21 LEU A 8 30.784 39.925 20.688 1.00 0.00 H new ATOM 0 HD22 LEU A 8 31.176 41.659 20.614 1.00 0.00 H new ATOM 0 HD23 LEU A 8 29.812 41.015 19.672 1.00 0.00 H new ATOM 138 N THR A 9 31.480 43.228 15.196 1.00 0.00 N ATOM 139 CA THR A 9 31.511 44.459 14.413 1.00 0.00 C ATOM 140 C THR A 9 30.188 44.666 13.685 1.00 0.00 C ATOM 141 O THR A 9 29.592 45.741 13.751 1.00 0.00 O ATOM 142 CB THR A 9 32.656 44.405 13.396 1.00 0.00 C ATOM 143 OG1 THR A 9 33.869 44.097 14.068 1.00 0.00 O ATOM 144 CG2 THR A 9 32.790 45.759 12.696 1.00 0.00 C ATOM 0 H THR A 9 32.181 42.536 14.930 1.00 0.00 H new ATOM 0 HA THR A 9 31.671 45.295 15.094 1.00 0.00 H new ATOM 0 HB THR A 9 32.444 43.636 12.653 1.00 0.00 H new ATOM 0 HG1 THR A 9 34.602 44.060 13.419 1.00 0.00 H new ATOM 0 HG21 THR A 9 33.605 45.716 11.974 1.00 0.00 H new ATOM 0 HG22 THR A 9 31.860 45.995 12.179 1.00 0.00 H new ATOM 0 HG23 THR A 9 33.001 46.532 13.435 1.00 0.00 H new ATOM 152 N GLY A 10 29.734 43.627 12.988 1.00 0.00 N ATOM 153 CA GLY A 10 28.478 43.692 12.241 1.00 0.00 C ATOM 154 C GLY A 10 28.618 42.972 10.907 1.00 0.00 C ATOM 155 O GLY A 10 27.635 42.502 10.334 1.00 0.00 O ATOM 0 H GLY A 10 30.216 42.730 12.924 1.00 0.00 H new ATOM 0 HA2 GLY A 10 27.676 43.239 12.824 1.00 0.00 H new ATOM 0 HA3 GLY A 10 28.201 44.733 12.073 1.00 0.00 H new ATOM 159 N LYS A 11 29.852 42.885 10.423 1.00 0.00 N ATOM 160 CA LYS A 11 30.122 42.216 9.158 1.00 0.00 C ATOM 161 C LYS A 11 30.022 40.704 9.330 1.00 0.00 C ATOM 162 O LYS A 11 30.737 40.113 10.139 1.00 0.00 O ATOM 163 CB LYS A 11 31.522 42.583 8.665 1.00 0.00 C ATOM 164 CG LYS A 11 31.769 41.941 7.299 1.00 0.00 C ATOM 165 CD LYS A 11 33.121 42.411 6.749 1.00 0.00 C ATOM 166 CE LYS A 11 34.257 41.950 7.675 1.00 0.00 C ATOM 167 NZ LYS A 11 34.460 42.964 8.748 1.00 0.00 N1+ ATOM 0 H LYS A 11 30.677 43.268 10.885 1.00 0.00 H new ATOM 0 HA LYS A 11 29.383 42.541 8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.621 43.666 8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 11 32.271 42.242 9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 11 31.759 40.855 7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.970 42.211 6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 11 33.273 42.011 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 11 33.130 43.498 6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 11 34.014 40.983 8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 11 35.176 41.819 7.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 35.436 43.320 8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.797 43.754 8.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 34.288 42.527 9.676 1.00 0.00 H new ATOM 181 N THR A 12 29.127 40.085 8.565 1.00 0.00 N ATOM 182 CA THR A 12 28.939 38.640 8.642 1.00 0.00 C ATOM 183 C THR A 12 29.961 37.917 7.771 1.00 0.00 C ATOM 184 O THR A 12 30.659 38.539 6.971 1.00 0.00 O ATOM 185 CB THR A 12 27.524 38.278 8.183 1.00 0.00 C ATOM 186 OG1 THR A 12 27.335 38.717 6.844 1.00 0.00 O ATOM 187 CG2 THR A 12 26.501 38.959 9.093 1.00 0.00 C ATOM 0 H THR A 12 28.525 40.557 7.890 1.00 0.00 H new ATOM 0 HA THR A 12 29.079 38.327 9.677 1.00 0.00 H new ATOM 0 HB THR A 12 27.391 37.197 8.234 1.00 0.00 H new ATOM 0 HG1 THR A 12 26.430 38.484 6.548 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.494 38.701 8.766 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.646 38.622 10.120 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.633 40.040 9.043 1.00 0.00 H new ATOM 195 N THR A 13 30.042 36.597 7.932 1.00 0.00 N ATOM 196 CA THR A 13 30.979 35.788 7.154 1.00 0.00 C ATOM 197 C THR A 13 30.349 34.440 6.808 1.00 0.00 C ATOM 198 O THR A 13 29.855 33.730 7.682 1.00 0.00 O ATOM 199 CB THR A 13 32.286 35.595 7.944 1.00 0.00 C ATOM 200 OG1 THR A 13 33.043 36.795 7.892 1.00 0.00 O ATOM 201 CG2 THR A 13 33.114 34.451 7.349 1.00 0.00 C ATOM 0 H THR A 13 29.473 36.067 8.591 1.00 0.00 H new ATOM 0 HA THR A 13 31.211 36.305 6.223 1.00 0.00 H new ATOM 0 HB THR A 13 32.039 35.348 8.977 1.00 0.00 H new ATOM 0 HG1 THR A 13 32.509 37.501 7.471 1.00 0.00 H new ATOM 0 HG21 THR A 13 34.034 34.331 7.922 1.00 0.00 H new ATOM 0 HG22 THR A 13 32.538 33.526 7.389 1.00 0.00 H new ATOM 0 HG23 THR A 13 33.360 34.681 6.312 1.00 0.00 H new ATOM 209 N THR A 14 30.366 34.099 5.522 1.00 0.00 N ATOM 210 CA THR A 14 29.793 32.837 5.063 1.00 0.00 C ATOM 211 C THR A 14 30.797 31.701 5.240 1.00 0.00 C ATOM 212 O THR A 14 31.739 31.566 4.459 1.00 0.00 O ATOM 213 CB THR A 14 29.402 32.950 3.588 1.00 0.00 C ATOM 214 OG1 THR A 14 30.568 33.180 2.808 1.00 0.00 O ATOM 215 CG2 THR A 14 28.425 34.114 3.401 1.00 0.00 C ATOM 0 H THR A 14 30.768 34.676 4.783 1.00 0.00 H new ATOM 0 HA THR A 14 28.906 32.621 5.659 1.00 0.00 H new ATOM 0 HB THR A 14 28.924 32.024 3.268 1.00 0.00 H new ATOM 0 HG1 THR A 14 31.260 32.532 3.055 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.149 34.192 2.349 1.00 0.00 H new ATOM 0 HG22 THR A 14 27.531 33.938 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.899 35.042 3.721 1.00 0.00 H new ATOM 223 N LEU A 15 30.589 30.888 6.273 1.00 0.00 N ATOM 224 CA LEU A 15 31.481 29.764 6.551 1.00 0.00 C ATOM 225 C LEU A 15 31.030 28.516 5.803 1.00 0.00 C ATOM 226 O LEU A 15 29.854 28.155 5.835 1.00 0.00 O ATOM 227 CB LEU A 15 31.484 29.454 8.049 1.00 0.00 C ATOM 228 CG LEU A 15 32.042 30.645 8.844 1.00 0.00 C ATOM 229 CD1 LEU A 15 31.676 30.474 10.321 1.00 0.00 C ATOM 230 CD2 LEU A 15 33.570 30.712 8.713 1.00 0.00 C ATOM 0 H LEU A 15 29.814 30.985 6.929 1.00 0.00 H new ATOM 0 HA LEU A 15 32.482 30.044 6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.471 29.230 8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.087 28.566 8.241 1.00 0.00 H new ATOM 0 HG LEU A 15 31.613 31.566 8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.068 31.315 10.893 1.00 0.00 H new ATOM 0 HD12 LEU A 15 30.592 30.438 10.425 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.107 29.547 10.698 1.00 0.00 H new ATOM 0 HD21 LEU A 15 33.947 31.561 9.282 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.009 29.792 9.100 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.840 30.830 7.664 1.00 0.00 H new ATOM 242 N GLU A 16 31.975 27.848 5.149 1.00 0.00 N ATOM 243 CA GLU A 16 31.663 26.626 4.421 1.00 0.00 C ATOM 244 C GLU A 16 31.466 25.484 5.410 1.00 0.00 C ATOM 245 O GLU A 16 32.390 25.120 6.137 1.00 0.00 O ATOM 246 CB GLU A 16 32.807 26.286 3.463 1.00 0.00 C ATOM 247 CG GLU A 16 32.356 25.205 2.479 1.00 0.00 C ATOM 248 CD GLU A 16 31.444 25.811 1.417 1.00 0.00 C ATOM 249 OE1 GLU A 16 31.280 27.020 1.424 1.00 0.00 O ATOM 250 OE2 GLU A 16 30.923 25.057 0.611 1.00 0.00 O1- ATOM 0 H GLU A 16 32.954 28.130 5.109 1.00 0.00 H new ATOM 0 HA GLU A 16 30.748 26.772 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.116 27.179 2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.674 25.939 4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 16 33.225 24.748 2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.830 24.413 3.012 1.00 0.00 H new ATOM 257 N VAL A 17 30.257 24.925 5.449 1.00 0.00 N ATOM 258 CA VAL A 17 29.960 23.830 6.376 1.00 0.00 C ATOM 259 C VAL A 17 29.065 22.784 5.725 1.00 0.00 C ATOM 260 O VAL A 17 28.515 22.999 4.645 1.00 0.00 O ATOM 261 CB VAL A 17 29.259 24.380 7.621 1.00 0.00 C ATOM 262 CG1 VAL A 17 30.144 25.438 8.284 1.00 0.00 C ATOM 263 CG2 VAL A 17 27.922 25.009 7.216 1.00 0.00 C ATOM 0 H VAL A 17 29.475 25.207 4.858 1.00 0.00 H new ATOM 0 HA VAL A 17 30.904 23.360 6.653 1.00 0.00 H new ATOM 0 HB VAL A 17 29.080 23.568 8.326 1.00 0.00 H new ATOM 0 HG11 VAL A 17 29.643 25.828 9.170 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.094 24.989 8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 17 30.326 26.252 7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.421 25.401 8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 17 28.101 25.821 6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.291 24.253 6.748 1.00 0.00 H new ATOM 273 N GLU A 18 28.921 21.651 6.407 1.00 0.00 N ATOM 274 CA GLU A 18 28.085 20.558 5.917 1.00 0.00 C ATOM 275 C GLU A 18 27.505 19.787 7.107 1.00 0.00 C ATOM 276 O GLU A 18 28.128 19.729 8.166 1.00 0.00 O ATOM 277 CB GLU A 18 28.920 19.609 5.050 1.00 0.00 C ATOM 278 CG GLU A 18 29.208 20.265 3.697 1.00 0.00 C ATOM 279 CD GLU A 18 29.908 19.271 2.776 1.00 0.00 C ATOM 280 OE1 GLU A 18 29.649 18.086 2.908 1.00 0.00 O ATOM 281 OE2 GLU A 18 30.693 19.709 1.951 1.00 0.00 O1- ATOM 0 H GLU A 18 29.373 21.465 7.302 1.00 0.00 H new ATOM 0 HA GLU A 18 27.274 20.969 5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.856 19.368 5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 18 28.386 18.670 4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 18 28.277 20.603 3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.833 21.147 3.836 1.00 0.00 H new ATOM 288 N PRO A 19 26.339 19.196 6.970 1.00 0.00 N ATOM 289 CA PRO A 19 25.708 18.426 8.078 1.00 0.00 C ATOM 290 C PRO A 19 26.731 17.619 8.879 1.00 0.00 C ATOM 291 O PRO A 19 26.725 17.638 10.110 1.00 0.00 O ATOM 292 CB PRO A 19 24.728 17.506 7.346 1.00 0.00 C ATOM 293 CG PRO A 19 24.310 18.278 6.132 1.00 0.00 C ATOM 294 CD PRO A 19 25.493 19.190 5.759 1.00 0.00 C ATOM 0 HA PRO A 19 25.231 19.072 8.815 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.201 16.563 7.071 1.00 0.00 H new ATOM 0 HB3 PRO A 19 23.871 17.262 7.974 1.00 0.00 H new ATOM 0 HG2 PRO A 19 24.066 17.605 5.310 1.00 0.00 H new ATOM 0 HG3 PRO A 19 23.416 18.868 6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 19 26.036 18.806 4.895 1.00 0.00 H new ATOM 0 HD3 PRO A 19 25.157 20.195 5.503 1.00 0.00 H new ATOM 302 N SER A 20 27.601 16.908 8.170 1.00 0.00 N ATOM 303 CA SER A 20 28.620 16.094 8.824 1.00 0.00 C ATOM 304 C SER A 20 29.628 16.971 9.564 1.00 0.00 C ATOM 305 O SER A 20 30.123 16.598 10.627 1.00 0.00 O ATOM 306 CB SER A 20 29.350 15.242 7.786 1.00 0.00 C ATOM 307 OG SER A 20 28.421 14.366 7.161 1.00 0.00 O ATOM 0 H SER A 20 27.622 16.878 7.151 1.00 0.00 H new ATOM 0 HA SER A 20 28.125 15.447 9.548 1.00 0.00 H new ATOM 0 HB2 SER A 20 29.822 15.882 7.041 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.144 14.668 8.263 1.00 0.00 H new ATOM 0 HG SER A 20 28.885 13.819 6.493 1.00 0.00 H new ATOM 313 N ASP A 21 29.930 18.133 8.995 1.00 0.00 N ATOM 314 CA ASP A 21 30.884 19.047 9.612 1.00 0.00 C ATOM 315 C ASP A 21 30.544 19.272 11.078 1.00 0.00 C ATOM 316 O ASP A 21 29.465 19.766 11.408 1.00 0.00 O ATOM 317 CB ASP A 21 30.878 20.388 8.875 1.00 0.00 C ATOM 318 CG ASP A 21 32.102 21.205 9.275 1.00 0.00 C ATOM 319 OD1 ASP A 21 33.204 20.732 9.050 1.00 0.00 O1- ATOM 320 OD2 ASP A 21 31.921 22.292 9.800 1.00 0.00 O ATOM 0 H ASP A 21 29.532 18.462 8.115 1.00 0.00 H new ATOM 0 HA ASP A 21 31.876 18.600 9.546 1.00 0.00 H new ATOM 0 HB2 ASP A 21 30.877 20.221 7.798 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.968 20.939 9.112 1.00 0.00 H new ATOM 325 N THR A 22 31.474 18.910 11.955 1.00 0.00 N ATOM 326 CA THR A 22 31.267 19.078 13.387 1.00 0.00 C ATOM 327 C THR A 22 31.554 20.515 13.798 1.00 0.00 C ATOM 328 O THR A 22 32.178 21.270 13.054 1.00 0.00 O ATOM 329 CB THR A 22 32.184 18.133 14.162 1.00 0.00 C ATOM 330 OG1 THR A 22 33.538 18.490 13.926 1.00 0.00 O ATOM 331 CG2 THR A 22 31.945 16.696 13.698 1.00 0.00 C ATOM 0 H THR A 22 32.373 18.501 11.701 1.00 0.00 H new ATOM 0 HA THR A 22 30.228 18.843 13.617 1.00 0.00 H new ATOM 0 HB THR A 22 31.969 18.209 15.228 1.00 0.00 H new ATOM 0 HG1 THR A 22 34.127 17.886 14.424 1.00 0.00 H new ATOM 0 HG21 THR A 22 32.599 16.022 14.251 1.00 0.00 H new ATOM 0 HG22 THR A 22 30.905 16.423 13.880 1.00 0.00 H new ATOM 0 HG23 THR A 22 32.160 16.617 12.632 1.00 0.00 H new ATOM 339 N ILE A 23 31.093 20.883 14.984 1.00 0.00 N ATOM 340 CA ILE A 23 31.299 22.233 15.489 1.00 0.00 C ATOM 341 C ILE A 23 32.788 22.522 15.644 1.00 0.00 C ATOM 342 O ILE A 23 33.255 23.609 15.310 1.00 0.00 O ATOM 343 CB ILE A 23 30.599 22.386 16.837 1.00 0.00 C ATOM 344 CG1 ILE A 23 29.175 21.823 16.730 1.00 0.00 C ATOM 345 CG2 ILE A 23 30.548 23.867 17.225 1.00 0.00 C ATOM 346 CD1 ILE A 23 28.432 22.472 15.556 1.00 0.00 C ATOM 0 H ILE A 23 30.576 20.269 15.613 1.00 0.00 H new ATOM 0 HA ILE A 23 30.879 22.944 14.778 1.00 0.00 H new ATOM 0 HB ILE A 23 31.149 21.839 17.603 1.00 0.00 H new ATOM 0 HG12 ILE A 23 29.213 20.742 16.592 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.633 22.007 17.658 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.048 23.974 18.188 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.562 24.259 17.298 1.00 0.00 H new ATOM 0 HG23 ILE A 23 29.997 24.423 16.466 1.00 0.00 H new ATOM 0 HD11 ILE A 23 27.424 22.063 15.493 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.377 23.550 15.711 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.966 22.266 14.629 1.00 0.00 H new ATOM 358 N GLU A 24 33.525 21.539 16.148 1.00 0.00 N ATOM 359 CA GLU A 24 34.961 21.698 16.338 1.00 0.00 C ATOM 360 C GLU A 24 35.598 22.286 15.083 1.00 0.00 C ATOM 361 O GLU A 24 36.427 23.193 15.162 1.00 0.00 O ATOM 362 CB GLU A 24 35.599 20.344 16.653 1.00 0.00 C ATOM 363 CG GLU A 24 37.016 20.559 17.188 1.00 0.00 C ATOM 364 CD GLU A 24 36.956 21.146 18.594 1.00 0.00 C ATOM 365 OE1 GLU A 24 35.931 20.988 19.236 1.00 0.00 O ATOM 366 OE2 GLU A 24 37.935 21.746 19.006 1.00 0.00 O1- ATOM 0 H GLU A 24 33.156 20.631 16.430 1.00 0.00 H new ATOM 0 HA GLU A 24 35.129 22.378 17.173 1.00 0.00 H new ATOM 0 HB2 GLU A 24 34.998 19.810 17.389 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.628 19.726 15.756 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.556 19.612 17.202 1.00 0.00 H new ATOM 0 HG3 GLU A 24 37.566 21.230 16.528 1.00 0.00 H new ATOM 373 N ASN A 25 35.199 21.768 13.926 1.00 0.00 N ATOM 374 CA ASN A 25 35.733 22.256 12.660 1.00 0.00 C ATOM 375 C ASN A 25 35.316 23.703 12.432 1.00 0.00 C ATOM 376 O ASN A 25 36.123 24.535 12.017 1.00 0.00 O ATOM 377 CB ASN A 25 35.225 21.391 11.505 1.00 0.00 C ATOM 378 CG ASN A 25 35.842 21.863 10.192 1.00 0.00 C ATOM 379 OD1 ASN A 25 36.966 21.484 9.864 1.00 0.00 O ATOM 380 ND2 ASN A 25 35.172 22.672 9.420 1.00 0.00 N ATOM 0 H ASN A 25 34.514 21.017 13.839 1.00 0.00 H new ATOM 0 HA ASN A 25 36.821 22.200 12.701 1.00 0.00 H new ATOM 0 HB2 ASN A 25 35.480 20.346 11.682 1.00 0.00 H new ATOM 0 HB3 ASN A 25 34.138 21.448 11.447 1.00 0.00 H new ATOM 0 HD21 ASN A 25 35.579 22.993 8.541 1.00 0.00 H new ATOM 0 HD22 ASN A 25 34.241 22.984 9.695 1.00 0.00 H new ATOM 387 N VAL A 26 34.048 23.997 12.705 1.00 0.00 N ATOM 388 CA VAL A 26 33.533 25.348 12.523 1.00 0.00 C ATOM 389 C VAL A 26 34.385 26.343 13.302 1.00 0.00 C ATOM 390 O VAL A 26 34.757 27.395 12.781 1.00 0.00 O ATOM 391 CB VAL A 26 32.081 25.426 12.997 1.00 0.00 C ATOM 392 CG1 VAL A 26 31.536 26.832 12.738 1.00 0.00 C ATOM 393 CG2 VAL A 26 31.237 24.402 12.232 1.00 0.00 C ATOM 0 H VAL A 26 33.364 23.323 13.050 1.00 0.00 H new ATOM 0 HA VAL A 26 33.574 25.598 11.463 1.00 0.00 H new ATOM 0 HB VAL A 26 32.035 25.209 14.064 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.501 26.889 13.075 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.136 27.561 13.283 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.582 27.049 11.671 1.00 0.00 H new ATOM 0 HG21 VAL A 26 30.202 24.458 12.570 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.282 24.618 11.165 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.625 23.400 12.416 1.00 0.00 H new ATOM 403 N LYS A 27 34.703 25.998 14.545 1.00 0.00 N ATOM 404 CA LYS A 27 35.528 26.867 15.378 1.00 0.00 C ATOM 405 C LYS A 27 36.927 26.984 14.784 1.00 0.00 C ATOM 406 O LYS A 27 37.560 28.034 14.870 1.00 0.00 O ATOM 407 CB LYS A 27 35.626 26.304 16.799 1.00 0.00 C ATOM 408 CG LYS A 27 34.304 26.524 17.536 1.00 0.00 C ATOM 409 CD LYS A 27 34.427 25.990 18.964 1.00 0.00 C ATOM 410 CE LYS A 27 33.110 26.212 19.712 1.00 0.00 C ATOM 411 NZ LYS A 27 33.224 25.665 21.093 1.00 0.00 N1+ ATOM 0 H LYS A 27 34.406 25.132 14.995 1.00 0.00 H new ATOM 0 HA LYS A 27 35.065 27.853 15.414 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.860 25.240 16.763 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.439 26.791 17.338 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.056 27.585 17.552 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.494 26.015 17.014 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.672 24.928 18.946 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.241 26.496 19.483 1.00 0.00 H new ATOM 0 HE2 LYS A 27 32.876 27.276 19.749 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.292 25.724 19.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.329 25.816 21.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 33.429 24.646 21.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.994 26.150 21.596 1.00 0.00 H new ATOM 425 N ALA A 28 37.401 25.901 14.173 1.00 0.00 N ATOM 426 CA ALA A 28 38.726 25.903 13.562 1.00 0.00 C ATOM 427 C ALA A 28 38.752 26.874 12.390 1.00 0.00 C ATOM 428 O ALA A 28 39.709 27.629 12.216 1.00 0.00 O ATOM 429 CB ALA A 28 39.087 24.498 13.079 1.00 0.00 C ATOM 0 H ALA A 28 36.893 25.020 14.088 1.00 0.00 H new ATOM 0 HA ALA A 28 39.457 26.218 14.307 1.00 0.00 H new ATOM 0 HB1 ALA A 28 40.078 24.513 12.625 1.00 0.00 H new ATOM 0 HB2 ALA A 28 39.086 23.811 13.925 1.00 0.00 H new ATOM 0 HB3 ALA A 28 38.355 24.167 12.342 1.00 0.00 H new ATOM 435 N LYS A 29 37.685 26.860 11.600 1.00 0.00 N ATOM 436 CA LYS A 29 37.585 27.757 10.457 1.00 0.00 C ATOM 437 C LYS A 29 37.600 29.197 10.947 1.00 0.00 C ATOM 438 O LYS A 29 38.231 30.067 10.350 1.00 0.00 O ATOM 439 CB LYS A 29 36.285 27.483 9.693 1.00 0.00 C ATOM 440 CG LYS A 29 36.345 26.102 9.017 1.00 0.00 C ATOM 441 CD LYS A 29 37.054 26.201 7.659 1.00 0.00 C ATOM 442 CE LYS A 29 37.007 24.841 6.960 1.00 0.00 C ATOM 443 NZ LYS A 29 37.721 24.928 5.655 1.00 0.00 N1+ ATOM 0 H LYS A 29 36.883 26.243 11.729 1.00 0.00 H new ATOM 0 HA LYS A 29 38.430 27.590 9.789 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.437 27.524 10.377 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.126 28.257 8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.874 25.398 9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.336 25.713 8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.572 26.957 7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 29 38.088 26.515 7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 29 37.469 24.081 7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 29 35.972 24.537 6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.689 24.004 5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.261 25.642 5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.712 25.199 5.819 1.00 0.00 H new ATOM 457 N ILE A 30 36.897 29.433 12.046 1.00 0.00 N ATOM 458 CA ILE A 30 36.824 30.762 12.633 1.00 0.00 C ATOM 459 C ILE A 30 38.183 31.172 13.203 1.00 0.00 C ATOM 460 O ILE A 30 38.640 32.293 12.994 1.00 0.00 O ATOM 461 CB ILE A 30 35.759 30.762 13.736 1.00 0.00 C ATOM 462 CG1 ILE A 30 34.374 30.596 13.097 1.00 0.00 C ATOM 463 CG2 ILE A 30 35.803 32.078 14.516 1.00 0.00 C ATOM 464 CD1 ILE A 30 33.354 30.191 14.164 1.00 0.00 C ATOM 0 H ILE A 30 36.369 28.720 12.549 1.00 0.00 H new ATOM 0 HA ILE A 30 36.551 31.484 11.863 1.00 0.00 H new ATOM 0 HB ILE A 30 35.956 29.938 14.422 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.068 31.529 12.624 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.414 29.839 12.313 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.042 32.064 15.296 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.786 32.199 14.971 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.613 32.910 13.838 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.373 30.075 13.704 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.657 29.247 14.617 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.305 30.963 14.932 1.00 0.00 H new ATOM 476 N GLN A 31 38.822 30.257 13.927 1.00 0.00 N ATOM 477 CA GLN A 31 40.125 30.534 14.527 1.00 0.00 C ATOM 478 C GLN A 31 41.121 31.032 13.482 1.00 0.00 C ATOM 479 O GLN A 31 42.200 31.512 13.822 1.00 0.00 O ATOM 480 CB GLN A 31 40.667 29.263 15.190 1.00 0.00 C ATOM 481 CG GLN A 31 42.070 29.523 15.746 1.00 0.00 C ATOM 482 CD GLN A 31 42.460 28.416 16.718 1.00 0.00 C ATOM 483 OE1 GLN A 31 41.727 27.439 16.876 1.00 0.00 O ATOM 484 NE2 GLN A 31 43.578 28.511 17.383 1.00 0.00 N ATOM 0 H GLN A 31 38.461 29.321 14.112 1.00 0.00 H new ATOM 0 HA GLN A 31 39.996 31.316 15.275 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.001 28.949 15.993 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.699 28.449 14.465 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.790 29.571 14.929 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.096 30.488 16.252 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.183 29.321 17.250 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.847 27.775 18.036 1.00 0.00 H new ATOM 493 N ASP A 32 40.751 30.929 12.209 1.00 0.00 N ATOM 494 CA ASP A 32 41.628 31.383 11.128 1.00 0.00 C ATOM 495 C ASP A 32 41.308 32.828 10.751 1.00 0.00 C ATOM 496 O ASP A 32 42.203 33.606 10.423 1.00 0.00 O ATOM 497 CB ASP A 32 41.457 30.485 9.899 1.00 0.00 C ATOM 498 CG ASP A 32 41.943 29.074 10.212 1.00 0.00 C ATOM 499 OD1 ASP A 32 42.521 28.889 11.269 1.00 0.00 O ATOM 500 OD2 ASP A 32 41.728 28.198 9.389 1.00 0.00 O1- ATOM 0 H ASP A 32 39.860 30.540 11.900 1.00 0.00 H new ATOM 0 HA ASP A 32 42.659 31.327 11.476 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.409 30.460 9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.018 30.894 9.059 1.00 0.00 H new ATOM 505 N LYS A 33 40.022 33.175 10.790 1.00 0.00 N ATOM 506 CA LYS A 33 39.587 34.528 10.438 1.00 0.00 C ATOM 507 C LYS A 33 39.581 35.453 11.655 1.00 0.00 C ATOM 508 O LYS A 33 39.629 36.675 11.508 1.00 0.00 O ATOM 509 CB LYS A 33 38.181 34.475 9.837 1.00 0.00 C ATOM 510 CG LYS A 33 38.212 33.662 8.543 1.00 0.00 C ATOM 511 CD LYS A 33 36.816 33.639 7.918 1.00 0.00 C ATOM 512 CE LYS A 33 36.797 32.654 6.748 1.00 0.00 C ATOM 513 NZ LYS A 33 37.977 32.900 5.872 1.00 0.00 N1+ ATOM 0 H LYS A 33 39.267 32.544 11.060 1.00 0.00 H new ATOM 0 HA LYS A 33 40.294 34.927 9.711 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.487 34.024 10.546 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.821 35.484 9.637 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.927 34.098 7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.546 32.645 8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.077 33.348 8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.544 34.636 7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 33 36.815 31.630 7.121 1.00 0.00 H new ATOM 0 HE3 LYS A 33 35.876 32.769 6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.802 32.492 4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 38.135 33.924 5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.819 32.456 6.291 1.00 0.00 H new ATOM 527 N THR A 34 39.520 34.876 12.857 1.00 0.00 N ATOM 528 CA THR A 34 39.504 35.673 14.092 1.00 0.00 C ATOM 529 C THR A 34 40.835 35.557 14.828 1.00 0.00 C ATOM 530 O THR A 34 41.291 36.513 15.454 1.00 0.00 O ATOM 531 CB THR A 34 38.375 35.195 15.009 1.00 0.00 C ATOM 532 OG1 THR A 34 38.573 33.825 15.329 1.00 0.00 O ATOM 533 CG2 THR A 34 37.028 35.368 14.304 1.00 0.00 C ATOM 0 H THR A 34 39.481 33.867 13.004 1.00 0.00 H new ATOM 0 HA THR A 34 39.340 36.716 13.822 1.00 0.00 H new ATOM 0 HB THR A 34 38.379 35.786 15.925 1.00 0.00 H new ATOM 0 HG1 THR A 34 38.546 33.290 14.508 1.00 0.00 H new ATOM 0 HG21 THR A 34 36.227 35.027 14.960 1.00 0.00 H new ATOM 0 HG22 THR A 34 36.876 36.420 14.063 1.00 0.00 H new ATOM 0 HG23 THR A 34 37.020 34.781 13.386 1.00 0.00 H new ATOM 541 N GLY A 35 41.456 34.386 14.743 1.00 0.00 N ATOM 542 CA GLY A 35 42.739 34.164 15.403 1.00 0.00 C ATOM 543 C GLY A 35 42.573 34.006 16.912 1.00 0.00 C ATOM 544 O GLY A 35 43.559 33.902 17.643 1.00 0.00 O ATOM 0 H GLY A 35 41.097 33.582 14.229 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.211 33.271 14.993 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.406 35.001 15.195 1.00 0.00 H new ATOM 548 N LEU A 36 41.327 33.988 17.380 1.00 0.00 N ATOM 549 CA LEU A 36 41.068 33.842 18.811 1.00 0.00 C ATOM 550 C LEU A 36 41.217 32.375 19.233 1.00 0.00 C ATOM 551 O LEU A 36 40.931 31.472 18.448 1.00 0.00 O ATOM 552 CB LEU A 36 39.650 34.320 19.139 1.00 0.00 C ATOM 553 CG LEU A 36 39.546 35.842 18.955 1.00 0.00 C ATOM 554 CD1 LEU A 36 38.068 36.243 18.927 1.00 0.00 C ATOM 555 CD2 LEU A 36 40.256 36.578 20.108 1.00 0.00 C ATOM 0 H LEU A 36 40.492 34.071 16.800 1.00 0.00 H new ATOM 0 HA LEU A 36 41.792 34.448 19.356 1.00 0.00 H new ATOM 0 HB2 LEU A 36 38.931 33.818 18.492 1.00 0.00 H new ATOM 0 HB3 LEU A 36 39.397 34.052 20.165 1.00 0.00 H new ATOM 0 HG LEU A 36 40.028 36.119 18.017 1.00 0.00 H new ATOM 0 HD11 LEU A 36 37.986 37.322 18.797 1.00 0.00 H new ATOM 0 HD12 LEU A 36 37.570 35.739 18.099 1.00 0.00 H new ATOM 0 HD13 LEU A 36 37.595 35.954 19.865 1.00 0.00 H new ATOM 0 HD21 LEU A 36 40.171 37.654 19.959 1.00 0.00 H new ATOM 0 HD22 LEU A 36 39.791 36.305 21.055 1.00 0.00 H new ATOM 0 HD23 LEU A 36 41.309 36.296 20.126 1.00 0.00 H new ATOM 567 N PRO A 37 41.648 32.112 20.449 1.00 0.00 N ATOM 568 CA PRO A 37 41.819 30.713 20.950 1.00 0.00 C ATOM 569 C PRO A 37 40.471 30.045 21.238 1.00 0.00 C ATOM 570 O PRO A 37 39.456 30.723 21.396 1.00 0.00 O ATOM 571 CB PRO A 37 42.637 30.895 22.237 1.00 0.00 C ATOM 572 CG PRO A 37 42.272 32.257 22.729 1.00 0.00 C ATOM 573 CD PRO A 37 42.019 33.105 21.479 1.00 0.00 C ATOM 0 HA PRO A 37 42.305 30.063 20.223 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.392 30.129 22.973 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.706 30.818 22.041 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.384 32.219 23.360 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.074 32.682 23.332 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.221 33.830 21.642 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.907 33.668 21.191 1.00 0.00 H new ATOM 581 N PRO A 38 40.445 28.738 21.314 1.00 0.00 N ATOM 582 CA PRO A 38 39.190 27.972 21.593 1.00 0.00 C ATOM 583 C PRO A 38 38.630 28.275 22.986 1.00 0.00 C ATOM 584 O PRO A 38 37.422 28.196 23.208 1.00 0.00 O ATOM 585 CB PRO A 38 39.624 26.498 21.470 1.00 0.00 C ATOM 586 CG PRO A 38 41.102 26.509 21.694 1.00 0.00 C ATOM 587 CD PRO A 38 41.600 27.842 21.140 1.00 0.00 C ATOM 0 HA PRO A 38 38.385 28.235 20.907 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.118 25.875 22.207 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.377 26.095 20.488 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.337 26.415 22.754 1.00 0.00 H new ATOM 0 HG3 PRO A 38 41.580 25.672 21.186 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.473 28.202 21.684 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.889 27.759 20.092 1.00 0.00 H new ATOM 595 N ASP A 39 39.515 28.617 23.917 1.00 0.00 N ATOM 596 CA ASP A 39 39.089 28.920 25.280 1.00 0.00 C ATOM 597 C ASP A 39 38.265 30.204 25.310 1.00 0.00 C ATOM 598 O ASP A 39 37.646 30.532 26.323 1.00 0.00 O ATOM 599 CB ASP A 39 40.308 29.077 26.193 1.00 0.00 C ATOM 600 CG ASP A 39 40.987 27.728 26.402 1.00 0.00 C ATOM 601 OD1 ASP A 39 40.387 26.725 26.055 1.00 0.00 O ATOM 602 OD2 ASP A 39 42.097 27.719 26.908 1.00 0.00 O1- ATOM 0 H ASP A 39 40.520 28.691 23.757 1.00 0.00 H new ATOM 0 HA ASP A 39 38.474 28.094 25.637 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.013 29.783 25.753 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.001 29.490 27.154 1.00 0.00 H new ATOM 607 N GLN A 40 38.263 30.928 24.192 1.00 0.00 N ATOM 608 CA GLN A 40 37.514 32.184 24.085 1.00 0.00 C ATOM 609 C GLN A 40 36.280 32.001 23.206 1.00 0.00 C ATOM 610 O GLN A 40 35.149 32.076 23.685 1.00 0.00 O ATOM 611 CB GLN A 40 38.416 33.265 23.480 1.00 0.00 C ATOM 612 CG GLN A 40 39.420 33.747 24.529 1.00 0.00 C ATOM 613 CD GLN A 40 38.711 34.580 25.590 1.00 0.00 C ATOM 614 OE1 GLN A 40 37.590 35.038 25.375 1.00 0.00 O ATOM 615 NE2 GLN A 40 39.303 34.805 26.732 1.00 0.00 N ATOM 0 H GLN A 40 38.771 30.669 23.346 1.00 0.00 H new ATOM 0 HA GLN A 40 37.191 32.485 25.082 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.944 32.868 22.613 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.812 34.102 23.130 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.910 32.892 24.995 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.200 34.340 24.051 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.233 34.424 26.908 1.00 0.00 H new ATOM 0 HE22 GLN A 40 38.836 35.362 27.448 1.00 0.00 H new ATOM 624 N GLN A 41 36.518 31.777 21.913 1.00 0.00 N ATOM 625 CA GLN A 41 35.438 31.596 20.938 1.00 0.00 C ATOM 626 C GLN A 41 34.213 30.927 21.558 1.00 0.00 C ATOM 627 O GLN A 41 34.332 30.080 22.444 1.00 0.00 O ATOM 628 CB GLN A 41 35.939 30.747 19.770 1.00 0.00 C ATOM 629 CG GLN A 41 37.103 31.461 19.082 1.00 0.00 C ATOM 630 CD GLN A 41 37.630 30.615 17.928 1.00 0.00 C ATOM 631 OE1 GLN A 41 38.155 31.204 16.888 1.00 0.00 O flip ATOM 632 NE2 GLN A 41 37.562 29.387 17.974 1.00 0.00 N flip ATOM 0 H GLN A 41 37.455 31.716 21.513 1.00 0.00 H new ATOM 0 HA GLN A 41 35.140 32.585 20.589 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.260 29.769 20.129 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.131 30.576 19.058 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.775 32.432 18.711 1.00 0.00 H new ATOM 0 HG3 GLN A 41 37.901 31.647 19.801 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.151 28.929 18.788 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.916 28.827 17.198 1.00 0.00 H new ATOM 641 N ARG A 42 33.033 31.315 21.077 1.00 0.00 N ATOM 642 CA ARG A 42 31.779 30.754 21.575 1.00 0.00 C ATOM 643 C ARG A 42 30.712 30.800 20.484 1.00 0.00 C ATOM 644 O ARG A 42 30.455 31.851 19.898 1.00 0.00 O ATOM 645 CB ARG A 42 31.299 31.547 22.796 1.00 0.00 C ATOM 646 CG ARG A 42 30.112 30.827 23.442 1.00 0.00 C ATOM 647 CD ARG A 42 29.510 31.709 24.537 1.00 0.00 C ATOM 648 NE ARG A 42 30.450 31.860 25.640 1.00 0.00 N ATOM 649 CZ ARG A 42 30.607 30.899 26.543 1.00 0.00 C ATOM 650 NH1 ARG A 42 29.929 29.789 26.438 1.00 0.00 N ATOM 651 NH2 ARG A 42 31.441 31.064 27.534 1.00 0.00 N1+ ATOM 0 H ARG A 42 32.919 32.015 20.344 1.00 0.00 H new ATOM 0 HA ARG A 42 31.950 29.717 21.863 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.110 31.651 23.517 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.008 32.554 22.497 1.00 0.00 H new ATOM 0 HG2 ARG A 42 29.358 30.600 22.689 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.437 29.876 23.865 1.00 0.00 H new ATOM 0 HD2 ARG A 42 29.259 32.688 24.128 1.00 0.00 H new ATOM 0 HD3 ARG A 42 28.582 31.267 24.899 1.00 0.00 H new ATOM 0 HE ARG A 42 30.996 32.718 25.720 1.00 0.00 H new ATOM 0 HH11 ARG A 42 29.279 29.660 25.663 1.00 0.00 H new ATOM 0 HH12 ARG A 42 30.049 29.050 27.131 1.00 0.00 H new ATOM 0 HH21 ARG A 42 31.972 31.931 27.615 1.00 0.00 H new ATOM 0 HH22 ARG A 42 31.561 30.326 28.227 1.00 0.00 H new ATOM 665 N LEU A 43 30.090 29.651 20.219 1.00 0.00 N ATOM 666 CA LEU A 43 29.044 29.557 19.197 1.00 0.00 C ATOM 667 C LEU A 43 27.699 29.245 19.843 1.00 0.00 C ATOM 668 O LEU A 43 27.575 28.301 20.623 1.00 0.00 O ATOM 669 CB LEU A 43 29.386 28.451 18.193 1.00 0.00 C ATOM 670 CG LEU A 43 30.762 28.711 17.567 1.00 0.00 C ATOM 671 CD1 LEU A 43 31.125 27.537 16.652 1.00 0.00 C ATOM 672 CD2 LEU A 43 30.731 30.011 16.746 1.00 0.00 C ATOM 0 H LEU A 43 30.291 28.772 20.697 1.00 0.00 H new ATOM 0 HA LEU A 43 28.983 30.514 18.680 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.383 27.482 18.693 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.626 28.410 17.413 1.00 0.00 H new ATOM 0 HG LEU A 43 31.506 28.810 18.358 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.102 27.714 16.203 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.155 26.617 17.235 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.376 27.443 15.866 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.713 30.187 16.306 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.988 29.923 15.953 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.470 30.846 17.396 1.00 0.00 H new ATOM 684 N ILE A 44 26.688 30.045 19.506 1.00 0.00 N ATOM 685 CA ILE A 44 25.340 29.856 20.046 1.00 0.00 C ATOM 686 C ILE A 44 24.305 30.033 18.940 1.00 0.00 C ATOM 687 O ILE A 44 24.321 31.029 18.217 1.00 0.00 O ATOM 688 CB ILE A 44 25.072 30.868 21.169 1.00 0.00 C ATOM 689 CG1 ILE A 44 25.961 30.549 22.375 1.00 0.00 C ATOM 690 CG2 ILE A 44 23.602 30.791 21.594 1.00 0.00 C ATOM 691 CD1 ILE A 44 25.931 31.721 23.358 1.00 0.00 C ATOM 0 H ILE A 44 26.776 30.831 18.861 1.00 0.00 H new ATOM 0 HA ILE A 44 25.265 28.847 20.451 1.00 0.00 H new ATOM 0 HB ILE A 44 25.296 31.871 20.805 1.00 0.00 H new ATOM 0 HG12 ILE A 44 25.613 29.640 22.866 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.984 30.362 22.047 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.416 31.511 22.391 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.964 31.021 20.741 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.379 29.786 21.953 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.564 31.493 24.216 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.300 32.620 22.864 1.00 0.00 H new ATOM 0 HD13 ILE A 44 24.908 31.886 23.696 1.00 0.00 H new ATOM 703 N PHE A 45 23.402 29.061 18.819 1.00 0.00 N ATOM 704 CA PHE A 45 22.347 29.109 17.803 1.00 0.00 C ATOM 705 C PHE A 45 20.977 29.062 18.469 1.00 0.00 C ATOM 706 O PHE A 45 20.677 28.139 19.226 1.00 0.00 O ATOM 707 CB PHE A 45 22.489 27.921 16.846 1.00 0.00 C ATOM 708 CG PHE A 45 21.502 28.067 15.706 1.00 0.00 C ATOM 709 CD1 PHE A 45 21.627 29.131 14.803 1.00 0.00 C ATOM 710 CD2 PHE A 45 20.465 27.140 15.551 1.00 0.00 C ATOM 711 CE1 PHE A 45 20.715 29.267 13.750 1.00 0.00 C ATOM 712 CE2 PHE A 45 19.553 27.277 14.497 1.00 0.00 C ATOM 713 CZ PHE A 45 19.680 28.340 13.596 1.00 0.00 C ATOM 0 H PHE A 45 23.378 28.230 19.411 1.00 0.00 H new ATOM 0 HA PHE A 45 22.443 30.039 17.243 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.506 27.874 16.456 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.309 26.988 17.379 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.427 29.847 14.920 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.368 26.318 16.245 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.811 30.089 13.056 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.752 26.562 14.380 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.978 28.444 12.782 1.00 0.00 H new ATOM 723 N ALA A 46 20.153 30.065 18.186 1.00 0.00 N ATOM 724 CA ALA A 46 18.817 30.132 18.767 1.00 0.00 C ATOM 725 C ALA A 46 18.890 30.148 20.292 1.00 0.00 C ATOM 726 O ALA A 46 17.871 30.032 20.972 1.00 0.00 O ATOM 727 CB ALA A 46 17.981 28.937 18.301 1.00 0.00 C ATOM 0 H ALA A 46 20.384 30.838 17.562 1.00 0.00 H new ATOM 0 HA ALA A 46 18.344 31.055 18.432 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.985 28.996 18.740 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.900 28.952 17.214 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.462 28.011 18.616 1.00 0.00 H new ATOM 733 N GLY A 47 20.105 30.301 20.825 1.00 0.00 N ATOM 734 CA GLY A 47 20.311 30.343 22.278 1.00 0.00 C ATOM 735 C GLY A 47 21.027 29.090 22.778 1.00 0.00 C ATOM 736 O GLY A 47 21.665 29.112 23.831 1.00 0.00 O ATOM 0 H GLY A 47 20.959 30.398 20.276 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.895 31.226 22.538 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.348 30.438 22.780 1.00 0.00 H new ATOM 740 N LYS A 48 20.917 28.005 22.025 1.00 0.00 N ATOM 741 CA LYS A 48 21.560 26.752 22.413 1.00 0.00 C ATOM 742 C LYS A 48 23.072 26.834 22.219 1.00 0.00 C ATOM 743 O LYS A 48 23.552 27.346 21.208 1.00 0.00 O ATOM 744 CB LYS A 48 20.992 25.597 21.587 1.00 0.00 C ATOM 745 CG LYS A 48 19.536 25.354 21.992 1.00 0.00 C ATOM 746 CD LYS A 48 18.963 24.193 21.180 1.00 0.00 C ATOM 747 CE LYS A 48 17.532 23.909 21.639 1.00 0.00 C ATOM 748 NZ LYS A 48 16.954 22.809 20.815 1.00 0.00 N1+ ATOM 0 H LYS A 48 20.395 27.963 21.150 1.00 0.00 H new ATOM 0 HA LYS A 48 21.357 26.575 23.469 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.052 25.831 20.524 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.582 24.695 21.748 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.477 25.130 23.057 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.946 26.255 21.823 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.974 24.437 20.118 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.581 23.305 21.309 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.525 23.630 22.693 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.923 24.808 21.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.981 22.616 21.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.947 23.092 19.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.531 21.951 20.928 1.00 0.00 H new ATOM 762 N GLN A 49 23.818 26.321 23.198 1.00 0.00 N ATOM 763 CA GLN A 49 25.279 26.335 23.129 1.00 0.00 C ATOM 764 C GLN A 49 25.790 25.115 22.373 1.00 0.00 C ATOM 765 O GLN A 49 25.365 23.988 22.628 1.00 0.00 O ATOM 766 CB GLN A 49 25.873 26.346 24.541 1.00 0.00 C ATOM 767 CG GLN A 49 27.401 26.320 24.452 1.00 0.00 C ATOM 768 CD GLN A 49 28.007 26.580 25.826 1.00 0.00 C ATOM 769 OE1 GLN A 49 27.327 27.082 26.721 1.00 0.00 O ATOM 770 NE2 GLN A 49 29.254 26.265 26.050 1.00 0.00 N ATOM 0 H GLN A 49 23.438 25.893 24.042 1.00 0.00 H new ATOM 0 HA GLN A 49 25.588 27.236 22.599 1.00 0.00 H new ATOM 0 HB2 GLN A 49 25.544 27.236 25.078 1.00 0.00 H new ATOM 0 HB3 GLN A 49 25.516 25.484 25.104 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.735 25.353 24.075 1.00 0.00 H new ATOM 0 HG3 GLN A 49 27.745 27.075 23.745 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.816 25.849 25.308 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.666 26.435 26.968 1.00 0.00 H new ATOM 779 N LEU A 50 26.706 25.350 21.438 1.00 0.00 N ATOM 780 CA LEU A 50 27.279 24.269 20.638 1.00 0.00 C ATOM 781 C LEU A 50 28.545 23.725 21.294 1.00 0.00 C ATOM 782 O LEU A 50 29.382 24.487 21.778 1.00 0.00 O ATOM 783 CB LEU A 50 27.614 24.789 19.239 1.00 0.00 C ATOM 784 CG LEU A 50 26.440 25.607 18.692 1.00 0.00 C ATOM 785 CD1 LEU A 50 26.711 25.968 17.229 1.00 0.00 C ATOM 786 CD2 LEU A 50 25.145 24.788 18.789 1.00 0.00 C ATOM 0 H LEU A 50 27.068 26.277 21.215 1.00 0.00 H new ATOM 0 HA LEU A 50 26.548 23.464 20.568 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.512 25.406 19.276 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.828 23.953 18.573 1.00 0.00 H new ATOM 0 HG LEU A 50 26.330 26.519 19.279 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.877 26.550 16.837 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.627 26.556 17.163 1.00 0.00 H new ATOM 0 HD13 LEU A 50 26.823 25.055 16.644 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.313 25.375 18.399 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.249 23.873 18.206 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.952 24.534 19.831 1.00 0.00 H new ATOM 798 N GLU A 51 28.678 22.398 21.308 1.00 0.00 N ATOM 799 CA GLU A 51 29.847 21.747 21.909 1.00 0.00 C ATOM 800 C GLU A 51 30.341 20.607 21.022 1.00 0.00 C ATOM 801 O GLU A 51 29.583 20.049 20.231 1.00 0.00 O ATOM 802 CB GLU A 51 29.479 21.196 23.288 1.00 0.00 C ATOM 803 CG GLU A 51 29.179 22.359 24.233 1.00 0.00 C ATOM 804 CD GLU A 51 28.694 21.829 25.578 1.00 0.00 C ATOM 805 OE1 GLU A 51 28.647 20.620 25.733 1.00 0.00 O ATOM 806 OE2 GLU A 51 28.374 22.639 26.431 1.00 0.00 O1- ATOM 0 H GLU A 51 27.994 21.753 20.912 1.00 0.00 H new ATOM 0 HA GLU A 51 30.642 22.486 22.009 1.00 0.00 H new ATOM 0 HB2 GLU A 51 28.611 20.542 23.211 1.00 0.00 H new ATOM 0 HB3 GLU A 51 30.298 20.594 23.682 1.00 0.00 H new ATOM 0 HG2 GLU A 51 30.075 22.964 24.373 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.421 23.008 23.794 1.00 0.00 H new ATOM 813 N ASP A 52 31.621 20.268 21.160 1.00 0.00 N ATOM 814 CA ASP A 52 32.207 19.195 20.364 1.00 0.00 C ATOM 815 C ASP A 52 31.447 17.889 20.576 1.00 0.00 C ATOM 816 O ASP A 52 30.754 17.718 21.580 1.00 0.00 O ATOM 817 CB ASP A 52 33.676 19.001 20.747 1.00 0.00 C ATOM 818 CG ASP A 52 34.317 17.957 19.836 1.00 0.00 C ATOM 819 OD1 ASP A 52 34.096 18.032 18.638 1.00 0.00 O1- ATOM 820 OD2 ASP A 52 35.015 17.100 20.350 1.00 0.00 O ATOM 0 H ASP A 52 32.266 20.717 21.810 1.00 0.00 H new ATOM 0 HA ASP A 52 32.139 19.473 19.312 1.00 0.00 H new ATOM 0 HB2 ASP A 52 34.211 19.947 20.663 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.751 18.684 21.787 1.00 0.00 H new ATOM 825 N GLY A 53 31.580 16.972 19.621 1.00 0.00 N ATOM 826 CA GLY A 53 30.900 15.682 19.709 1.00 0.00 C ATOM 827 C GLY A 53 29.462 15.792 19.213 1.00 0.00 C ATOM 828 O GLY A 53 28.681 14.848 19.329 1.00 0.00 O ATOM 0 H GLY A 53 32.148 17.096 18.783 1.00 0.00 H new ATOM 0 HA2 GLY A 53 31.438 14.941 19.117 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.908 15.332 20.741 1.00 0.00 H new ATOM 832 N ARG A 54 29.119 16.954 18.658 1.00 0.00 N ATOM 833 CA ARG A 54 27.768 17.197 18.142 1.00 0.00 C ATOM 834 C ARG A 54 27.830 17.720 16.708 1.00 0.00 C ATOM 835 O ARG A 54 28.755 18.445 16.341 1.00 0.00 O ATOM 836 CB ARG A 54 27.059 18.227 19.028 1.00 0.00 C ATOM 837 CG ARG A 54 26.773 17.629 20.417 1.00 0.00 C ATOM 838 CD ARG A 54 25.481 16.799 20.395 1.00 0.00 C ATOM 839 NE ARG A 54 25.077 16.463 21.757 1.00 0.00 N ATOM 840 CZ ARG A 54 25.542 15.380 22.376 1.00 0.00 C ATOM 841 NH1 ARG A 54 26.376 14.584 21.764 1.00 0.00 N ATOM 842 NH2 ARG A 54 25.161 15.113 23.596 1.00 0.00 N1+ ATOM 0 H ARG A 54 29.757 17.743 18.553 1.00 0.00 H new ATOM 0 HA ARG A 54 27.215 16.258 18.152 1.00 0.00 H new ATOM 0 HB2 ARG A 54 27.678 19.118 19.129 1.00 0.00 H new ATOM 0 HB3 ARG A 54 26.126 18.539 18.559 1.00 0.00 H new ATOM 0 HG2 ARG A 54 27.609 17.002 20.728 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.685 18.429 21.152 1.00 0.00 H new ATOM 0 HD2 ARG A 54 24.688 17.360 19.900 1.00 0.00 H new ATOM 0 HD3 ARG A 54 25.635 15.887 19.818 1.00 0.00 H new ATOM 0 HE ARG A 54 24.422 17.073 22.246 1.00 0.00 H new ATOM 0 HH11 ARG A 54 26.672 14.791 20.810 1.00 0.00 H new ATOM 0 HH12 ARG A 54 26.731 13.755 22.240 1.00 0.00 H new ATOM 0 HH21 ARG A 54 24.508 15.734 24.074 1.00 0.00 H new ATOM 0 HH22 ARG A 54 25.517 14.284 24.071 1.00 0.00 H new ATOM 856 N THR A 55 26.839 17.342 15.898 1.00 0.00 N ATOM 857 CA THR A 55 26.778 17.771 14.496 1.00 0.00 C ATOM 858 C THR A 55 25.665 18.799 14.298 1.00 0.00 C ATOM 859 O THR A 55 24.821 18.993 15.172 1.00 0.00 O ATOM 860 CB THR A 55 26.518 16.560 13.596 1.00 0.00 C ATOM 861 OG1 THR A 55 25.476 15.773 14.154 1.00 0.00 O ATOM 862 CG2 THR A 55 27.791 15.718 13.484 1.00 0.00 C ATOM 0 H THR A 55 26.068 16.740 16.187 1.00 0.00 H new ATOM 0 HA THR A 55 27.731 18.228 14.231 1.00 0.00 H new ATOM 0 HB THR A 55 26.225 16.903 12.604 1.00 0.00 H new ATOM 0 HG1 THR A 55 25.307 14.998 13.578 1.00 0.00 H new ATOM 0 HG21 THR A 55 27.602 14.857 12.843 1.00 0.00 H new ATOM 0 HG22 THR A 55 28.590 16.322 13.055 1.00 0.00 H new ATOM 0 HG23 THR A 55 28.088 15.374 14.475 1.00 0.00 H new ATOM 870 N LEU A 56 25.670 19.450 13.138 1.00 0.00 N ATOM 871 CA LEU A 56 24.657 20.453 12.825 1.00 0.00 C ATOM 872 C LEU A 56 23.270 19.822 12.797 1.00 0.00 C ATOM 873 O LEU A 56 22.289 20.428 13.230 1.00 0.00 O ATOM 874 CB LEU A 56 24.950 21.085 11.463 1.00 0.00 C ATOM 875 CG LEU A 56 26.398 21.583 11.418 1.00 0.00 C ATOM 876 CD1 LEU A 56 26.703 22.121 10.016 1.00 0.00 C ATOM 877 CD2 LEU A 56 26.598 22.702 12.451 1.00 0.00 C ATOM 0 H LEU A 56 26.361 19.302 12.402 1.00 0.00 H new ATOM 0 HA LEU A 56 24.684 21.220 13.599 1.00 0.00 H new ATOM 0 HB2 LEU A 56 24.783 20.355 10.671 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.266 21.914 11.283 1.00 0.00 H new ATOM 0 HG LEU A 56 27.071 20.758 11.651 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.733 22.477 9.979 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.567 21.325 9.283 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.026 22.944 9.787 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.630 23.051 12.414 1.00 0.00 H new ATOM 0 HD22 LEU A 56 25.926 23.530 12.225 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.380 22.320 13.448 1.00 0.00 H new ATOM 889 N SER A 57 23.200 18.602 12.281 1.00 0.00 N ATOM 890 CA SER A 57 21.932 17.888 12.194 1.00 0.00 C ATOM 891 C SER A 57 21.324 17.698 13.581 1.00 0.00 C ATOM 892 O SER A 57 20.125 17.457 13.713 1.00 0.00 O ATOM 893 CB SER A 57 22.147 16.523 11.541 1.00 0.00 C ATOM 894 OG SER A 57 22.831 16.694 10.307 1.00 0.00 O ATOM 0 H SER A 57 24.002 18.087 11.918 1.00 0.00 H new ATOM 0 HA SER A 57 21.246 18.479 11.588 1.00 0.00 H new ATOM 0 HB2 SER A 57 22.724 15.877 12.203 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.188 16.032 11.373 1.00 0.00 H new ATOM 0 HG SER A 57 22.972 15.820 9.887 1.00 0.00 H new ATOM 900 N ASP A 58 22.158 17.809 14.613 1.00 0.00 N ATOM 901 CA ASP A 58 21.688 17.647 15.988 1.00 0.00 C ATOM 902 C ASP A 58 21.098 18.953 16.513 1.00 0.00 C ATOM 903 O ASP A 58 20.068 18.953 17.189 1.00 0.00 O ATOM 904 CB ASP A 58 22.848 17.209 16.886 1.00 0.00 C ATOM 905 CG ASP A 58 22.316 16.734 18.234 1.00 0.00 C ATOM 906 OD1 ASP A 58 21.225 17.143 18.597 1.00 0.00 O ATOM 907 OD2 ASP A 58 23.007 15.966 18.884 1.00 0.00 O1- ATOM 0 H ASP A 58 23.154 18.009 14.525 1.00 0.00 H new ATOM 0 HA ASP A 58 20.910 16.883 15.999 1.00 0.00 H new ATOM 0 HB2 ASP A 58 23.408 16.408 16.405 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.539 18.039 17.031 1.00 0.00 H new ATOM 912 N TYR A 59 21.756 20.066 16.196 1.00 0.00 N ATOM 913 CA TYR A 59 21.287 21.376 16.640 1.00 0.00 C ATOM 914 C TYR A 59 20.199 21.900 15.705 1.00 0.00 C ATOM 915 O TYR A 59 19.712 23.018 15.869 1.00 0.00 O ATOM 916 CB TYR A 59 22.453 22.370 16.656 1.00 0.00 C ATOM 917 CG TYR A 59 23.497 21.932 17.658 1.00 0.00 C ATOM 918 CD1 TYR A 59 23.230 22.016 19.030 1.00 0.00 C ATOM 919 CD2 TYR A 59 24.736 21.454 17.216 1.00 0.00 C ATOM 920 CE1 TYR A 59 24.201 21.619 19.958 1.00 0.00 C ATOM 921 CE2 TYR A 59 25.706 21.057 18.141 1.00 0.00 C ATOM 922 CZ TYR A 59 25.439 21.140 19.514 1.00 0.00 C ATOM 923 OH TYR A 59 26.397 20.748 20.428 1.00 0.00 O ATOM 0 H TYR A 59 22.609 20.087 15.638 1.00 0.00 H new ATOM 0 HA TYR A 59 20.877 21.271 17.644 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.897 22.437 15.663 1.00 0.00 H new ATOM 0 HB3 TYR A 59 22.089 23.365 16.910 1.00 0.00 H new ATOM 0 HD1 TYR A 59 22.275 22.387 19.373 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.943 21.392 16.158 1.00 0.00 H new ATOM 0 HE1 TYR A 59 23.995 21.682 21.016 1.00 0.00 H new ATOM 0 HE2 TYR A 59 26.661 20.687 17.798 1.00 0.00 H new ATOM 0 HH TYR A 59 25.983 20.640 21.310 1.00 0.00 H new ATOM 933 N ASN A 60 19.833 21.087 14.718 1.00 0.00 N ATOM 934 CA ASN A 60 18.810 21.479 13.752 1.00 0.00 C ATOM 935 C ASN A 60 19.240 22.741 13.011 1.00 0.00 C ATOM 936 O ASN A 60 18.405 23.496 12.512 1.00 0.00 O ATOM 937 CB ASN A 60 17.477 21.728 14.463 1.00 0.00 C ATOM 938 CG ASN A 60 17.146 20.552 15.374 1.00 0.00 C ATOM 939 OD1 ASN A 60 17.775 19.420 15.217 1.00 0.00 O flip ATOM 940 ND2 ASN A 60 16.290 20.666 16.252 1.00 0.00 N flip ATOM 0 H ASN A 60 20.226 20.158 14.566 1.00 0.00 H new ATOM 0 HA ASN A 60 18.685 20.669 13.034 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.533 22.647 15.047 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.683 21.865 13.728 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.799 21.552 16.374 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.072 19.875 16.858 1.00 0.00 H new ATOM 947 N ILE A 61 20.550 22.957 12.942 1.00 0.00 N ATOM 948 CA ILE A 61 21.094 24.125 12.260 1.00 0.00 C ATOM 949 C ILE A 61 20.996 23.953 10.745 1.00 0.00 C ATOM 950 O ILE A 61 21.454 22.954 10.191 1.00 0.00 O ATOM 951 CB ILE A 61 22.556 24.328 12.685 1.00 0.00 C ATOM 952 CG1 ILE A 61 22.587 24.868 14.119 1.00 0.00 C ATOM 953 CG2 ILE A 61 23.249 25.328 11.754 1.00 0.00 C ATOM 954 CD1 ILE A 61 24.010 24.786 14.675 1.00 0.00 C ATOM 0 H ILE A 61 21.253 22.340 13.349 1.00 0.00 H new ATOM 0 HA ILE A 61 20.515 25.005 12.538 1.00 0.00 H new ATOM 0 HB ILE A 61 23.080 23.374 12.629 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.240 25.901 14.136 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.908 24.293 14.748 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.284 25.461 12.069 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.226 24.950 10.732 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.731 26.286 11.798 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.025 25.171 15.694 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.341 23.748 14.675 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.679 25.381 14.052 1.00 0.00 H new ATOM 966 N GLN A 62 20.388 24.938 10.082 1.00 0.00 N ATOM 967 CA GLN A 62 20.220 24.905 8.628 1.00 0.00 C ATOM 968 C GLN A 62 21.101 25.961 7.961 1.00 0.00 C ATOM 969 O GLN A 62 21.992 26.526 8.594 1.00 0.00 O ATOM 970 CB GLN A 62 18.753 25.160 8.279 1.00 0.00 C ATOM 971 CG GLN A 62 17.883 24.085 8.937 1.00 0.00 C ATOM 972 CD GLN A 62 16.415 24.313 8.589 1.00 0.00 C ATOM 973 OE1 GLN A 62 16.087 25.243 7.854 1.00 0.00 O ATOM 974 NE2 GLN A 62 15.507 23.511 9.078 1.00 0.00 N ATOM 0 H GLN A 62 20.003 25.770 10.530 1.00 0.00 H new ATOM 0 HA GLN A 62 20.519 23.923 8.261 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.452 26.149 8.623 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.616 25.144 7.198 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.195 23.097 8.600 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.017 24.110 10.019 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.782 22.741 9.687 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.523 23.655 8.850 1.00 0.00 H new ATOM 983 N LYS A 63 20.852 26.216 6.678 1.00 0.00 N ATOM 984 CA LYS A 63 21.637 27.200 5.938 1.00 0.00 C ATOM 985 C LYS A 63 21.315 28.616 6.412 1.00 0.00 C ATOM 986 O LYS A 63 20.247 28.870 6.969 1.00 0.00 O ATOM 987 CB LYS A 63 21.349 27.077 4.434 1.00 0.00 C ATOM 988 CG LYS A 63 22.488 27.713 3.628 1.00 0.00 C ATOM 989 CD LYS A 63 22.133 27.702 2.138 1.00 0.00 C ATOM 990 CE LYS A 63 23.220 28.434 1.347 1.00 0.00 C ATOM 991 NZ LYS A 63 22.822 28.520 -0.088 1.00 0.00 N1+ ATOM 0 H LYS A 63 20.120 25.759 6.134 1.00 0.00 H new ATOM 0 HA LYS A 63 22.694 27.005 6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.241 26.027 4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.405 27.567 4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 63 22.657 28.736 3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 63 23.415 27.165 3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 63 22.040 26.676 1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.168 28.183 1.980 1.00 0.00 H new ATOM 0 HE2 LYS A 63 23.369 29.434 1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.169 27.907 1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.561 29.018 -0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 22.701 27.561 -0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.926 29.041 -0.169 1.00 0.00 H new ATOM 1005 N GLU A 64 22.248 29.533 6.184 1.00 0.00 N ATOM 1006 CA GLU A 64 22.065 30.924 6.584 1.00 0.00 C ATOM 1007 C GLU A 64 21.707 31.018 8.064 1.00 0.00 C ATOM 1008 O GLU A 64 21.124 32.007 8.509 1.00 0.00 O ATOM 1009 CB GLU A 64 20.959 31.570 5.741 1.00 0.00 C ATOM 1010 CG GLU A 64 21.063 31.072 4.300 1.00 0.00 C ATOM 1011 CD GLU A 64 20.188 31.924 3.387 1.00 0.00 C ATOM 1012 OE1 GLU A 64 19.756 32.977 3.829 1.00 0.00 O1- ATOM 1013 OE2 GLU A 64 19.964 31.513 2.261 1.00 0.00 O ATOM 0 H GLU A 64 23.138 29.339 5.725 1.00 0.00 H new ATOM 0 HA GLU A 64 23.002 31.455 6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.981 31.323 6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 64 21.052 32.656 5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 64 22.100 31.114 3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.753 30.029 4.244 1.00 0.00 H new ATOM 1020 N SER A 65 22.064 29.987 8.824 1.00 0.00 N ATOM 1021 CA SER A 65 21.778 29.976 10.254 1.00 0.00 C ATOM 1022 C SER A 65 22.635 31.025 10.960 1.00 0.00 C ATOM 1023 O SER A 65 23.851 31.065 10.779 1.00 0.00 O ATOM 1024 CB SER A 65 22.056 28.579 10.824 1.00 0.00 C ATOM 1025 OG SER A 65 20.876 27.792 10.726 1.00 0.00 O ATOM 0 H SER A 65 22.546 29.157 8.478 1.00 0.00 H new ATOM 0 HA SER A 65 20.728 30.218 10.418 1.00 0.00 H new ATOM 0 HB2 SER A 65 22.870 28.105 10.276 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.373 28.654 11.864 1.00 0.00 H new ATOM 0 HG SER A 65 20.365 27.864 11.559 1.00 0.00 H new ATOM 1031 N THR A 66 21.992 31.887 11.744 1.00 0.00 N ATOM 1032 CA THR A 66 22.706 32.948 12.448 1.00 0.00 C ATOM 1033 C THR A 66 23.307 32.455 13.759 1.00 0.00 C ATOM 1034 O THR A 66 22.591 32.145 14.709 1.00 0.00 O ATOM 1035 CB THR A 66 21.745 34.115 12.724 1.00 0.00 C ATOM 1036 OG1 THR A 66 21.498 34.816 11.514 1.00 0.00 O ATOM 1037 CG2 THR A 66 22.351 35.075 13.756 1.00 0.00 C ATOM 0 H THR A 66 20.985 31.872 11.907 1.00 0.00 H new ATOM 0 HA THR A 66 23.527 33.280 11.812 1.00 0.00 H new ATOM 0 HB THR A 66 20.811 33.718 13.120 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.884 35.560 11.686 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.658 35.896 13.940 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.535 34.539 14.687 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.291 35.473 13.375 1.00 0.00 H new ATOM 1045 N LEU A 67 24.634 32.433 13.806 1.00 0.00 N ATOM 1046 CA LEU A 67 25.354 32.024 15.004 1.00 0.00 C ATOM 1047 C LEU A 67 25.659 33.266 15.837 1.00 0.00 C ATOM 1048 O LEU A 67 25.063 34.321 15.619 1.00 0.00 O ATOM 1049 CB LEU A 67 26.666 31.337 14.614 1.00 0.00 C ATOM 1050 CG LEU A 67 26.396 29.975 13.949 1.00 0.00 C ATOM 1051 CD1 LEU A 67 25.706 29.020 14.939 1.00 0.00 C ATOM 1052 CD2 LEU A 67 25.515 30.164 12.700 1.00 0.00 C ATOM 0 H LEU A 67 25.234 32.695 13.024 1.00 0.00 H new ATOM 0 HA LEU A 67 24.746 31.325 15.579 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.226 31.975 13.931 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.285 31.197 15.500 1.00 0.00 H new ATOM 0 HG LEU A 67 27.349 29.539 13.651 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.522 28.062 14.453 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.348 28.869 15.807 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.758 29.451 15.260 1.00 0.00 H new ATOM 0 HD21 LEU A 67 25.329 29.195 12.236 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.566 30.616 12.989 1.00 0.00 H new ATOM 0 HD23 LEU A 67 26.025 30.815 11.990 1.00 0.00 H new ATOM 1064 N HIS A 68 26.592 33.151 16.777 1.00 0.00 N ATOM 1065 CA HIS A 68 26.957 34.291 17.615 1.00 0.00 C ATOM 1066 C HIS A 68 28.346 34.099 18.217 1.00 0.00 C ATOM 1067 O HIS A 68 28.602 33.111 18.906 1.00 0.00 O ATOM 1068 CB HIS A 68 25.932 34.467 18.737 1.00 0.00 C ATOM 1069 CG HIS A 68 24.578 34.753 18.143 1.00 0.00 C ATOM 1070 ND1 HIS A 68 24.332 35.877 17.370 1.00 0.00 N ATOM 1071 CD2 HIS A 68 23.390 34.066 18.195 1.00 0.00 C ATOM 1072 CE1 HIS A 68 23.040 35.834 16.992 1.00 0.00 C ATOM 1073 NE2 HIS A 68 22.420 34.751 17.468 1.00 0.00 N ATOM 0 H HIS A 68 27.104 32.292 16.977 1.00 0.00 H new ATOM 0 HA HIS A 68 26.968 35.184 16.989 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.889 33.566 19.349 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.233 35.284 19.393 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.232 33.136 18.720 1.00 0.00 H new ATOM 0 HE1 HIS A 68 22.563 36.584 16.379 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.446 34.483 17.329 1.00 0.00 H new ATOM 1081 N ILE A 69 29.239 35.054 17.956 1.00 0.00 N ATOM 1082 CA ILE A 69 30.606 34.993 18.478 1.00 0.00 C ATOM 1083 C ILE A 69 30.755 35.943 19.664 1.00 0.00 C ATOM 1084 O ILE A 69 30.734 37.163 19.497 1.00 0.00 O ATOM 1085 CB ILE A 69 31.604 35.389 17.386 1.00 0.00 C ATOM 1086 CG1 ILE A 69 31.376 34.521 16.143 1.00 0.00 C ATOM 1087 CG2 ILE A 69 33.028 35.172 17.901 1.00 0.00 C ATOM 1088 CD1 ILE A 69 32.193 35.075 14.970 1.00 0.00 C ATOM 0 H ILE A 69 29.042 35.878 17.388 1.00 0.00 H new ATOM 0 HA ILE A 69 30.810 33.972 18.802 1.00 0.00 H new ATOM 0 HB ILE A 69 31.462 36.438 17.127 1.00 0.00 H new ATOM 0 HG12 ILE A 69 31.668 33.491 16.348 1.00 0.00 H new ATOM 0 HG13 ILE A 69 30.317 34.507 15.887 1.00 0.00 H new ATOM 0 HG21 ILE A 69 33.742 35.453 17.126 1.00 0.00 H new ATOM 0 HG22 ILE A 69 33.192 35.787 18.786 1.00 0.00 H new ATOM 0 HG23 ILE A 69 33.166 34.122 18.158 1.00 0.00 H new ATOM 0 HD11 ILE A 69 32.029 34.456 14.088 1.00 0.00 H new ATOM 0 HD12 ILE A 69 31.880 36.098 14.759 1.00 0.00 H new ATOM 0 HD13 ILE A 69 33.252 35.066 15.228 1.00 0.00 H new ATOM 1100 N VAL A 70 30.907 35.377 20.862 1.00 0.00 N ATOM 1101 CA VAL A 70 31.059 36.181 22.078 1.00 0.00 C ATOM 1102 C VAL A 70 32.516 36.196 22.527 1.00 0.00 C ATOM 1103 O VAL A 70 33.166 35.153 22.590 1.00 0.00 O ATOM 1104 CB VAL A 70 30.192 35.600 23.197 1.00 0.00 C ATOM 1105 CG1 VAL A 70 30.161 36.572 24.378 1.00 0.00 C ATOM 1106 CG2 VAL A 70 28.770 35.385 22.678 1.00 0.00 C ATOM 0 H VAL A 70 30.928 34.369 21.017 1.00 0.00 H new ATOM 0 HA VAL A 70 30.742 37.201 21.860 1.00 0.00 H new ATOM 0 HB VAL A 70 30.610 34.647 23.522 1.00 0.00 H new ATOM 0 HG11 VAL A 70 29.543 36.157 25.174 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.174 36.727 24.748 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.743 37.525 24.054 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.151 34.971 23.474 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.353 36.338 22.353 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.791 34.692 21.837 1.00 0.00 H new ATOM 1116 N TRP A 71 33.027 37.388 22.837 1.00 0.00 N ATOM 1117 CA TRP A 71 34.416 37.535 23.279 1.00 0.00 C ATOM 1118 C TRP A 71 34.507 38.516 24.444 1.00 0.00 C ATOM 1119 O TRP A 71 34.100 39.671 24.329 1.00 0.00 O ATOM 1120 CB TRP A 71 35.275 38.040 22.118 1.00 0.00 C ATOM 1121 CG TRP A 71 36.682 38.239 22.586 1.00 0.00 C ATOM 1122 CD1 TRP A 71 37.435 37.303 23.207 1.00 0.00 C ATOM 1123 CD2 TRP A 71 37.515 39.429 22.482 1.00 0.00 C ATOM 1124 NE1 TRP A 71 38.677 37.840 23.489 1.00 0.00 N ATOM 1125 CE2 TRP A 71 38.776 39.149 23.061 1.00 0.00 C ATOM 1126 CE3 TRP A 71 37.303 40.712 21.946 1.00 0.00 C ATOM 1127 CZ2 TRP A 71 39.788 40.109 23.107 1.00 0.00 C ATOM 1128 CZ3 TRP A 71 38.319 41.680 21.991 1.00 0.00 C ATOM 1129 CH2 TRP A 71 39.560 41.377 22.569 1.00 0.00 C ATOM 0 H TRP A 71 32.504 38.262 22.791 1.00 0.00 H new ATOM 0 HA TRP A 71 34.780 36.562 23.610 1.00 0.00 H new ATOM 0 HB2 TRP A 71 35.252 37.324 21.297 1.00 0.00 H new ATOM 0 HB3 TRP A 71 34.872 38.978 21.735 1.00 0.00 H new ATOM 0 HD1 TRP A 71 37.117 36.298 23.444 1.00 0.00 H new ATOM 0 HE1 TRP A 71 39.428 37.332 23.956 1.00 0.00 H new ATOM 0 HE3 TRP A 71 36.351 40.954 21.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 40.741 39.873 23.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 38.144 42.663 21.578 1.00 0.00 H new ATOM 0 HH2 TRP A 71 40.339 42.124 22.598 1.00 0.00 H new ATOM 1140 N ARG A 72 35.050 38.046 25.564 1.00 0.00 N ATOM 1141 CA ARG A 72 35.195 38.887 26.744 1.00 0.00 C ATOM 1142 C ARG A 72 36.008 38.166 27.815 1.00 0.00 C ATOM 1143 O ARG A 72 35.635 37.083 28.264 1.00 0.00 O ATOM 1144 CB ARG A 72 33.816 39.248 27.299 1.00 0.00 C ATOM 1145 CG ARG A 72 33.975 40.253 28.438 1.00 0.00 C ATOM 1146 CD ARG A 72 32.595 40.726 28.898 1.00 0.00 C ATOM 1147 NE ARG A 72 32.727 41.864 29.800 1.00 0.00 N ATOM 1148 CZ ARG A 72 33.203 41.714 31.032 1.00 0.00 C ATOM 1149 NH1 ARG A 72 33.559 40.533 31.454 1.00 0.00 N ATOM 1150 NH2 ARG A 72 33.317 42.750 31.817 1.00 0.00 N1+ ATOM 0 H ARG A 72 35.394 37.093 25.677 1.00 0.00 H new ATOM 0 HA ARG A 72 35.720 39.799 26.459 1.00 0.00 H new ATOM 0 HB2 ARG A 72 33.194 39.671 26.510 1.00 0.00 H new ATOM 0 HB3 ARG A 72 33.310 38.352 27.658 1.00 0.00 H new ATOM 0 HG2 ARG A 72 34.510 39.794 29.270 1.00 0.00 H new ATOM 0 HG3 ARG A 72 34.571 41.103 28.106 1.00 0.00 H new ATOM 0 HD2 ARG A 72 31.992 41.006 28.034 1.00 0.00 H new ATOM 0 HD3 ARG A 72 32.073 39.912 29.401 1.00 0.00 H new ATOM 0 HE ARG A 72 32.449 42.792 29.480 1.00 0.00 H new ATOM 0 HH11 ARG A 72 33.472 39.724 30.839 1.00 0.00 H new ATOM 0 HH12 ARG A 72 33.924 40.418 32.399 1.00 0.00 H new ATOM 0 HH21 ARG A 72 33.041 43.674 31.485 1.00 0.00 H new ATOM 0 HH22 ARG A 72 33.682 42.636 32.763 1.00 0.00 H new ATOM 1164 N LEU A 73 37.122 38.772 28.221 1.00 0.00 N ATOM 1165 CA LEU A 73 37.981 38.173 29.240 1.00 0.00 C ATOM 1166 C LEU A 73 37.455 38.491 30.637 1.00 0.00 C ATOM 1167 O LEU A 73 37.456 39.646 31.062 1.00 0.00 O ATOM 1168 CB LEU A 73 39.412 38.707 29.099 1.00 0.00 C ATOM 1169 CG LEU A 73 40.113 38.036 27.912 1.00 0.00 C ATOM 1170 CD1 LEU A 73 39.453 38.469 26.598 1.00 0.00 C ATOM 1171 CD2 LEU A 73 41.589 38.447 27.902 1.00 0.00 C ATOM 0 H LEU A 73 37.449 39.670 27.864 1.00 0.00 H new ATOM 0 HA LEU A 73 37.981 37.092 29.099 1.00 0.00 H new ATOM 0 HB2 LEU A 73 39.392 39.787 28.956 1.00 0.00 H new ATOM 0 HB3 LEU A 73 39.971 38.517 30.015 1.00 0.00 H new ATOM 0 HG LEU A 73 40.030 36.954 28.010 1.00 0.00 H new ATOM 0 HD11 LEU A 73 39.958 37.987 25.761 1.00 0.00 H new ATOM 0 HD12 LEU A 73 38.403 38.177 26.605 1.00 0.00 H new ATOM 0 HD13 LEU A 73 39.528 39.551 26.492 1.00 0.00 H new ATOM 0 HD21 LEU A 73 42.093 37.973 27.060 1.00 0.00 H new ATOM 0 HD22 LEU A 73 41.664 39.530 27.807 1.00 0.00 H new ATOM 0 HD23 LEU A 73 42.061 38.131 28.832 1.00 0.00 H new ATOM 1183 N ARG A 74 37.013 37.457 31.350 1.00 0.00 N ATOM 1184 CA ARG A 74 36.492 37.632 32.704 1.00 0.00 C ATOM 1185 C ARG A 74 37.622 37.525 33.723 1.00 0.00 C ATOM 1186 O ARG A 74 38.495 36.664 33.608 1.00 0.00 O ATOM 1187 CB ARG A 74 35.435 36.564 32.999 1.00 0.00 C ATOM 1188 CG ARG A 74 34.799 36.834 34.368 1.00 0.00 C ATOM 1189 CD ARG A 74 33.775 35.744 34.683 1.00 0.00 C ATOM 1190 NE ARG A 74 33.254 35.922 36.035 1.00 0.00 N ATOM 1191 CZ ARG A 74 32.292 36.801 36.295 1.00 0.00 C ATOM 1192 NH1 ARG A 74 31.800 37.533 35.332 1.00 0.00 N ATOM 1193 NH2 ARG A 74 31.843 36.936 37.511 1.00 0.00 N1+ ATOM 0 H ARG A 74 37.005 36.494 31.015 1.00 0.00 H new ATOM 0 HA ARG A 74 36.039 38.620 32.777 1.00 0.00 H new ATOM 0 HB2 ARG A 74 34.669 36.572 32.223 1.00 0.00 H new ATOM 0 HB3 ARG A 74 35.891 35.574 32.987 1.00 0.00 H new ATOM 0 HG2 ARG A 74 35.569 36.857 35.139 1.00 0.00 H new ATOM 0 HG3 ARG A 74 34.317 37.811 34.369 1.00 0.00 H new ATOM 0 HD2 ARG A 74 32.958 35.782 33.962 1.00 0.00 H new ATOM 0 HD3 ARG A 74 34.237 34.761 34.589 1.00 0.00 H new ATOM 0 HE ARG A 74 33.636 35.360 36.796 1.00 0.00 H new ATOM 0 HH11 ARG A 74 32.154 37.430 34.381 1.00 0.00 H new ATOM 0 HH12 ARG A 74 31.062 38.208 35.531 1.00 0.00 H new ATOM 0 HH21 ARG A 74 32.230 36.367 38.264 1.00 0.00 H new ATOM 0 HH22 ARG A 74 31.105 37.611 37.710 1.00 0.00 H new ATOM 1207 N GLY A 75 37.600 38.401 34.723 1.00 0.00 N ATOM 1208 CA GLY A 75 38.630 38.388 35.756 1.00 0.00 C ATOM 1209 C GLY A 75 38.623 39.686 36.556 1.00 0.00 C ATOM 1210 O GLY A 75 38.048 40.687 36.131 1.00 0.00 O ATOM 0 H GLY A 75 36.888 39.122 34.840 1.00 0.00 H new ATOM 0 HA2 GLY A 75 38.467 37.544 36.426 1.00 0.00 H new ATOM 0 HA3 GLY A 75 39.608 38.246 35.297 1.00 0.00 H new ATOM 1214 N GLY A 76 39.270 39.659 37.718 1.00 0.00 N ATOM 1215 CA GLY A 76 39.339 40.837 38.578 1.00 0.00 C ATOM 1216 C GLY A 76 40.513 41.728 38.190 1.00 0.00 C ATOM 1217 O GLY A 76 40.779 42.673 38.913 1.00 0.00 O ATOM 1218 OXT GLY A 76 41.131 41.452 37.174 1.00 0.00 O ATOM 0 H GLY A 76 39.752 38.838 38.085 1.00 0.00 H new ATOM 0 HA2 GLY A 76 38.409 41.401 38.503 1.00 0.00 H new ATOM 0 HA3 GLY A 76 39.441 40.527 39.618 1.00 0.00 H new TER 1222 GLY A 76