USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 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 22 THR OG1 : rot -34:sc= 0.594 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.466 K(o=1.1,f=-1.1) USER MOD Set 2.1: A 2 GLN : amide:sc= 0.199 X(o=0.39,f=0.093) USER MOD Set 2.2: A 14 THR OG1 : rot -160:sc= 0.194 USER MOD Single : A 1 MET CE :methyl 176:sc= -0.119 (180deg=-0.189) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.2 (180deg=1.11) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -144:sc= 1.18 (180deg=0.484) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00728 USER MOD Single : A 27 LYS NZ :NH3+ -122:sc= 1.24 (180deg=-0.502) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.419 K(o=0.42,f=-5.8!) USER MOD Single : A 41 GLN : amide:sc= -0.961 X(o=-0.96,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.6) USER MOD Single : A 55 THR OG1 : rot -61:sc= 0.98 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.0973 USER MOD Single : A 60 ASN : amide:sc=-0.00655 X(o=-0.0066,f=-0.0066) USER MOD Single : A 62 GLN : amide:sc= -0.668 X(o=-0.67,f=-0.41) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 1.17 (180deg=0.983) USER MOD Single : A 65 SER OG : rot 106:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.004 42.972 -12.031 1.00 0.00 N ATOM 2 CA MET A 1 -4.729 43.955 -11.172 1.00 0.00 C ATOM 3 C MET A 1 -3.738 44.518 -10.115 1.00 0.00 C ATOM 4 O MET A 1 -2.717 43.888 -9.927 1.00 0.00 O ATOM 5 CB MET A 1 -5.971 43.201 -10.553 1.00 0.00 C ATOM 6 CG MET A 1 -5.981 42.810 -9.040 1.00 0.00 C ATOM 7 SD MET A 1 -4.741 41.495 -8.522 1.00 0.00 S ATOM 8 CE MET A 1 -5.529 41.203 -6.896 1.00 0.00 C ATOM 0 H1 MET A 1 -4.686 42.464 -12.629 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.322 43.475 -12.634 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.498 42.292 -11.429 1.00 0.00 H new ATOM 0 HA MET A 1 -5.104 44.816 -11.725 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.848 43.823 -10.732 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.109 42.283 -11.125 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.795 43.708 -8.451 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.981 42.461 -8.782 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.017 40.387 -6.385 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.463 42.108 -6.292 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.577 40.939 -7.041 1.00 0.00 H new ATOM 18 N GLN A 2 -4.035 45.681 -9.457 1.00 0.00 N ATOM 19 CA GLN A 2 -3.076 46.287 -8.523 1.00 0.00 C ATOM 20 C GLN A 2 -3.181 45.704 -7.147 1.00 0.00 C ATOM 21 O GLN A 2 -4.242 45.544 -6.653 1.00 0.00 O ATOM 22 CB GLN A 2 -3.345 47.859 -8.499 1.00 0.00 C ATOM 23 CG GLN A 2 -2.552 48.701 -7.441 1.00 0.00 C ATOM 24 CD GLN A 2 -2.811 50.213 -7.607 1.00 0.00 C ATOM 25 OE1 GLN A 2 -3.847 50.624 -8.173 1.00 0.00 O ATOM 26 NE2 GLN A 2 -1.897 51.117 -7.307 1.00 0.00 N ATOM 0 H GLN A 2 -4.911 46.194 -9.562 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.061 46.078 -8.862 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.117 48.257 -9.488 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.410 48.018 -8.329 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.841 48.390 -6.437 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.485 48.501 -7.542 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.033 50.835 -6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.055 52.098 -7.538 1.00 0.00 H new ATOM 35 N ILE A 3 -2.023 45.471 -6.577 1.00 0.00 N ATOM 36 CA ILE A 3 -1.837 45.109 -5.124 1.00 0.00 C ATOM 37 C ILE A 3 -0.647 45.833 -4.520 1.00 0.00 C ATOM 38 O ILE A 3 0.122 46.478 -5.203 1.00 0.00 O ATOM 39 CB ILE A 3 -1.641 43.570 -4.950 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.414 43.084 -5.742 1.00 0.00 C ATOM 41 CG2 ILE A 3 -2.874 42.765 -5.436 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.039 41.631 -5.222 1.00 0.00 C ATOM 0 H ILE A 3 -1.143 45.520 -7.090 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.742 45.419 -4.602 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.501 43.399 -3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.634 43.062 -6.809 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.424 43.767 -5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.691 41.700 -5.295 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.752 43.062 -4.862 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.047 42.967 -6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.829 41.262 -5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.193 41.674 -4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.881 40.958 -5.383 1.00 0.00 H new ATOM 54 N PHE A 4 -0.652 45.884 -3.170 1.00 0.00 N ATOM 55 CA PHE A 4 0.286 46.684 -2.401 1.00 0.00 C ATOM 56 C PHE A 4 0.919 45.789 -1.383 1.00 0.00 C ATOM 57 O PHE A 4 0.246 45.046 -0.684 1.00 0.00 O ATOM 58 CB PHE A 4 -0.370 47.870 -1.560 1.00 0.00 C ATOM 59 CG PHE A 4 -1.087 48.958 -2.321 1.00 0.00 C ATOM 60 CD1 PHE A 4 -0.366 50.089 -2.695 1.00 0.00 C ATOM 61 CD2 PHE A 4 -2.376 48.747 -2.861 1.00 0.00 C ATOM 62 CE1 PHE A 4 -0.969 51.044 -3.529 1.00 0.00 C ATOM 63 CE2 PHE A 4 -2.970 49.718 -3.677 1.00 0.00 C ATOM 64 CZ PHE A 4 -2.224 50.835 -4.064 1.00 0.00 C ATOM 0 H PHE A 4 -1.315 45.364 -2.595 1.00 0.00 H new ATOM 0 HA PHE A 4 0.968 47.120 -3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.078 47.431 -0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.418 48.338 -0.969 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.647 50.230 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.906 47.832 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.441 51.959 -3.756 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -3.993 49.605 -4.004 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.629 51.534 -4.781 1.00 0.00 H new ATOM 74 N VAL A 5 2.260 45.773 -1.324 1.00 0.00 N ATOM 75 CA VAL A 5 2.934 44.953 -0.361 1.00 0.00 C ATOM 76 C VAL A 5 3.561 45.935 0.646 1.00 0.00 C ATOM 77 O VAL A 5 4.273 46.836 0.261 1.00 0.00 O ATOM 78 CB VAL A 5 4.041 44.244 -1.126 1.00 0.00 C ATOM 79 CG1 VAL A 5 5.243 43.741 -0.207 1.00 0.00 C ATOM 80 CG2 VAL A 5 3.369 43.144 -1.985 1.00 0.00 C ATOM 0 H VAL A 5 2.873 46.317 -1.931 1.00 0.00 H new ATOM 0 HA VAL A 5 2.290 44.233 0.144 1.00 0.00 H new ATOM 0 HB VAL A 5 4.553 44.946 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.992 43.246 -0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.696 44.594 0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.864 43.039 0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.131 42.609 -2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.843 42.445 -1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.659 43.603 -2.674 1.00 0.00 H new ATOM 90 N LYS A 6 3.300 45.662 1.871 1.00 0.00 N ATOM 91 CA LYS A 6 4.019 46.278 3.016 1.00 0.00 C ATOM 92 C LYS A 6 5.259 45.452 3.336 1.00 0.00 C ATOM 93 O LYS A 6 5.189 44.420 3.974 1.00 0.00 O ATOM 94 CB LYS A 6 3.102 46.361 4.264 1.00 0.00 C ATOM 95 CG LYS A 6 2.132 47.601 4.261 1.00 0.00 C ATOM 96 CD LYS A 6 1.066 47.565 5.488 1.00 0.00 C ATOM 97 CE LYS A 6 0.209 48.826 5.459 1.00 0.00 C ATOM 98 NZ LYS A 6 -0.502 48.964 6.826 1.00 0.00 N ATOM 0 H LYS A 6 2.577 44.999 2.152 1.00 0.00 H new ATOM 0 HA LYS A 6 4.312 47.291 2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.509 45.449 4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.724 46.401 5.158 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.719 48.517 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.591 47.632 3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.433 46.681 5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.593 47.494 6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.829 49.701 5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.524 48.768 4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.092 49.820 6.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.101 48.130 6.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.209 49.034 7.582 1.00 0.00 H new ATOM 112 N THR A 7 6.399 45.980 2.840 1.00 0.00 N ATOM 113 CA THR A 7 7.701 45.418 3.036 1.00 0.00 C ATOM 114 C THR A 7 8.139 45.458 4.483 1.00 0.00 C ATOM 115 O THR A 7 7.661 46.324 5.208 1.00 0.00 O ATOM 116 CB THR A 7 8.777 46.050 2.135 1.00 0.00 C ATOM 117 OG1 THR A 7 9.193 47.360 2.463 1.00 0.00 O ATOM 118 CG2 THR A 7 8.241 46.054 0.703 1.00 0.00 C ATOM 0 H THR A 7 6.411 46.833 2.280 1.00 0.00 H new ATOM 0 HA THR A 7 7.601 44.373 2.741 1.00 0.00 H new ATOM 0 HB THR A 7 9.668 45.438 2.275 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.877 47.655 1.826 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.983 46.497 0.038 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.037 45.031 0.388 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.321 46.637 0.660 1.00 0.00 H new ATOM 126 N LEU A 8 9.142 44.600 4.817 1.00 0.00 N ATOM 127 CA LEU A 8 9.558 44.399 6.216 1.00 0.00 C ATOM 128 C LEU A 8 9.855 45.704 6.941 1.00 0.00 C ATOM 129 O LEU A 8 9.401 45.918 8.057 1.00 0.00 O ATOM 130 CB LEU A 8 10.763 43.437 6.408 1.00 0.00 C ATOM 131 CG LEU A 8 11.080 43.166 7.954 1.00 0.00 C ATOM 132 CD1 LEU A 8 9.895 42.579 8.712 1.00 0.00 C ATOM 133 CD2 LEU A 8 12.257 42.171 7.910 1.00 0.00 C ATOM 0 H LEU A 8 9.666 44.047 4.139 1.00 0.00 H new ATOM 0 HA LEU A 8 8.684 43.923 6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.553 42.490 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.644 43.861 5.927 1.00 0.00 H new ATOM 0 HG LEU A 8 11.307 44.089 8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.173 42.418 9.754 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.054 43.270 8.663 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.610 41.628 8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.556 41.916 8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.950 41.267 7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.099 42.626 7.387 1.00 0.00 H new ATOM 145 N THR A 9 10.592 46.597 6.286 1.00 0.00 N ATOM 146 CA THR A 9 11.244 47.724 6.932 1.00 0.00 C ATOM 147 C THR A 9 10.220 48.904 6.977 1.00 0.00 C ATOM 148 O THR A 9 10.399 49.899 7.649 1.00 0.00 O ATOM 149 CB THR A 9 12.547 48.051 6.166 1.00 0.00 C ATOM 150 OG1 THR A 9 13.502 48.649 7.046 1.00 0.00 O ATOM 151 CG2 THR A 9 12.362 49.070 5.007 1.00 0.00 C ATOM 0 H THR A 9 10.753 46.555 5.280 1.00 0.00 H new ATOM 0 HA THR A 9 11.538 47.509 7.959 1.00 0.00 H new ATOM 0 HB THR A 9 12.873 47.093 5.760 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.323 48.850 6.550 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.321 49.246 4.520 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.655 48.670 4.281 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.980 50.010 5.406 1.00 0.00 H new ATOM 159 N GLY A 10 9.062 48.708 6.286 1.00 0.00 N ATOM 160 CA GLY A 10 7.857 49.520 6.471 1.00 0.00 C ATOM 161 C GLY A 10 7.486 50.398 5.294 1.00 0.00 C ATOM 162 O GLY A 10 6.802 51.367 5.508 1.00 0.00 O ATOM 0 H GLY A 10 8.953 47.975 5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.020 48.856 6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.996 50.153 7.347 1.00 0.00 H new ATOM 166 N LYS A 11 7.870 50.036 4.114 1.00 0.00 N ATOM 167 CA LYS A 11 7.455 50.838 2.909 1.00 0.00 C ATOM 168 C LYS A 11 6.294 50.162 2.208 1.00 0.00 C ATOM 169 O LYS A 11 6.266 48.953 2.120 1.00 0.00 O ATOM 170 CB LYS A 11 8.598 51.003 1.875 1.00 0.00 C ATOM 171 CG LYS A 11 9.892 51.797 2.425 1.00 0.00 C ATOM 172 CD LYS A 11 10.715 52.408 1.268 1.00 0.00 C ATOM 173 CE LYS A 11 11.377 51.305 0.419 1.00 0.00 C ATOM 174 NZ LYS A 11 11.611 51.733 -0.965 1.00 0.00 N ATOM 0 H LYS A 11 8.453 49.223 3.915 1.00 0.00 H new ATOM 0 HA LYS A 11 7.176 51.824 3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.911 50.015 1.538 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.209 51.529 1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.574 52.588 3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.520 51.117 3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.067 53.017 0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.481 53.070 1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.325 51.019 0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.743 50.418 0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.462 50.928 -1.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.949 52.497 -1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.588 52.077 -1.062 1.00 0.00 H new ATOM 188 N THR A 12 5.259 50.970 1.854 1.00 0.00 N ATOM 189 CA THR A 12 4.127 50.464 1.069 1.00 0.00 C ATOM 190 C THR A 12 4.432 50.498 -0.418 1.00 0.00 C ATOM 191 O THR A 12 4.469 51.537 -1.015 1.00 0.00 O ATOM 192 CB THR A 12 2.840 51.340 1.351 1.00 0.00 C ATOM 193 OG1 THR A 12 2.486 51.277 2.710 1.00 0.00 O ATOM 194 CG2 THR A 12 1.687 50.718 0.504 1.00 0.00 C ATOM 0 H THR A 12 5.195 51.958 2.101 1.00 0.00 H new ATOM 0 HA THR A 12 3.949 49.431 1.368 1.00 0.00 H new ATOM 0 HB THR A 12 3.026 52.383 1.094 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.689 51.826 2.866 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.771 51.287 0.662 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.955 50.748 -0.552 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.529 49.684 0.809 1.00 0.00 H new ATOM 202 N ILE A 13 4.670 49.326 -1.003 1.00 0.00 N ATOM 203 CA ILE A 13 5.161 49.251 -2.384 1.00 0.00 C ATOM 204 C ILE A 13 3.959 48.886 -3.332 1.00 0.00 C ATOM 205 O ILE A 13 3.372 47.809 -3.185 1.00 0.00 O ATOM 206 CB ILE A 13 6.250 48.166 -2.473 1.00 0.00 C ATOM 207 CG1 ILE A 13 7.412 48.443 -1.483 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.762 48.054 -3.970 1.00 0.00 C ATOM 209 CD1 ILE A 13 8.347 49.672 -1.705 1.00 0.00 C ATOM 0 H ILE A 13 4.534 48.422 -0.551 1.00 0.00 H new ATOM 0 HA ILE A 13 5.584 50.209 -2.688 1.00 0.00 H new ATOM 0 HB ILE A 13 5.820 47.208 -2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.975 48.543 -0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.043 47.554 -1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.533 47.286 -4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.929 47.787 -4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.176 49.012 -4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.099 49.705 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.840 49.584 -2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.756 50.588 -1.681 1.00 0.00 H new ATOM 221 N THR A 14 3.597 49.721 -4.327 1.00 0.00 N ATOM 222 CA THR A 14 2.538 49.325 -5.311 1.00 0.00 C ATOM 223 C THR A 14 3.185 48.436 -6.426 1.00 0.00 C ATOM 224 O THR A 14 4.335 48.698 -6.850 1.00 0.00 O ATOM 225 CB THR A 14 1.819 50.567 -5.936 1.00 0.00 C ATOM 226 OG1 THR A 14 0.997 50.150 -7.038 1.00 0.00 O ATOM 227 CG2 THR A 14 2.825 51.570 -6.580 1.00 0.00 C ATOM 0 H THR A 14 3.999 50.646 -4.479 1.00 0.00 H new ATOM 0 HA THR A 14 1.772 48.757 -4.783 1.00 0.00 H new ATOM 0 HB THR A 14 1.263 51.028 -5.120 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.807 50.920 -7.614 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.278 52.414 -7.000 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.518 51.929 -5.819 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.382 51.069 -7.371 1.00 0.00 H new ATOM 235 N LEU A 15 2.469 47.304 -6.766 1.00 0.00 N ATOM 236 CA LEU A 15 2.804 46.462 -7.934 1.00 0.00 C ATOM 237 C LEU A 15 1.541 45.891 -8.621 1.00 0.00 C ATOM 238 O LEU A 15 0.472 45.941 -8.074 1.00 0.00 O ATOM 239 CB LEU A 15 3.874 45.370 -7.588 1.00 0.00 C ATOM 240 CG LEU A 15 3.626 44.494 -6.351 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.081 43.110 -6.801 1.00 0.00 C ATOM 242 CD2 LEU A 15 4.979 44.274 -5.578 1.00 0.00 C ATOM 0 H LEU A 15 1.663 46.972 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 15 3.274 47.110 -8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.972 44.711 -8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.834 45.870 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 15 2.904 44.989 -5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.904 42.486 -5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.146 43.246 -7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.810 42.625 -7.450 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.800 43.652 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.696 43.779 -6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.379 45.238 -5.264 1.00 0.00 H new ATOM 254 N GLU A 16 1.643 45.371 -9.878 1.00 0.00 N ATOM 255 CA GLU A 16 0.460 44.784 -10.584 1.00 0.00 C ATOM 256 C GLU A 16 0.784 43.313 -10.933 1.00 0.00 C ATOM 257 O GLU A 16 1.835 42.952 -11.467 1.00 0.00 O ATOM 258 CB GLU A 16 0.017 45.577 -11.832 1.00 0.00 C ATOM 259 CG GLU A 16 -0.617 46.977 -11.614 1.00 0.00 C ATOM 260 CD GLU A 16 -0.873 47.652 -12.987 1.00 0.00 C ATOM 261 OE1 GLU A 16 -1.899 47.377 -13.630 1.00 0.00 O ATOM 262 OE2 GLU A 16 -0.048 48.535 -13.294 1.00 0.00 O ATOM 0 H GLU A 16 2.510 45.345 -10.415 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.394 44.839 -9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.887 45.700 -12.476 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.701 44.966 -12.379 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.553 46.882 -11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.045 47.597 -11.010 1.00 0.00 H new ATOM 269 N VAL A 17 -0.144 42.437 -10.449 1.00 0.00 N ATOM 270 CA VAL A 17 -0.107 41.019 -10.654 1.00 0.00 C ATOM 271 C VAL A 17 -1.418 40.570 -11.226 1.00 0.00 C ATOM 272 O VAL A 17 -2.457 40.978 -10.791 1.00 0.00 O ATOM 273 CB VAL A 17 0.261 40.292 -9.325 1.00 0.00 C ATOM 274 CG1 VAL A 17 -0.001 38.750 -9.423 1.00 0.00 C ATOM 275 CG2 VAL A 17 1.722 40.618 -8.936 1.00 0.00 C ATOM 0 H VAL A 17 -0.946 42.739 -9.896 1.00 0.00 H new ATOM 0 HA VAL A 17 0.670 40.758 -11.372 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.388 40.660 -8.530 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.266 38.275 -8.479 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.056 38.573 -9.632 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.604 38.328 -10.226 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.974 40.107 -8.007 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.393 40.283 -9.727 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.831 41.694 -8.800 1.00 0.00 H new ATOM 285 N GLU A 18 -1.319 39.732 -12.294 1.00 0.00 N ATOM 286 CA GLU A 18 -2.407 38.962 -12.758 1.00 0.00 C ATOM 287 C GLU A 18 -2.933 38.007 -11.679 1.00 0.00 C ATOM 288 O GLU A 18 -2.182 37.169 -11.170 1.00 0.00 O ATOM 289 CB GLU A 18 -1.922 38.144 -13.955 1.00 0.00 C ATOM 290 CG GLU A 18 -1.968 39.097 -15.265 1.00 0.00 C ATOM 291 CD GLU A 18 -1.437 38.399 -16.544 1.00 0.00 C ATOM 292 OE1 GLU A 18 -0.874 37.299 -16.473 1.00 0.00 O ATOM 293 OE2 GLU A 18 -1.403 39.083 -17.590 1.00 0.00 O ATOM 0 H GLU A 18 -0.461 39.602 -12.830 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.223 39.632 -13.031 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.909 37.781 -13.783 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.554 37.268 -14.099 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.995 39.422 -15.435 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.378 39.993 -15.076 1.00 0.00 H new ATOM 300 N PRO A 19 -4.219 38.077 -11.344 1.00 0.00 N ATOM 301 CA PRO A 19 -4.762 37.164 -10.308 1.00 0.00 C ATOM 302 C PRO A 19 -4.942 35.759 -10.738 1.00 0.00 C ATOM 303 O PRO A 19 -5.449 34.945 -9.977 1.00 0.00 O ATOM 304 CB PRO A 19 -6.172 37.764 -9.925 1.00 0.00 C ATOM 305 CG PRO A 19 -6.536 38.651 -11.078 1.00 0.00 C ATOM 306 CD PRO A 19 -5.218 39.134 -11.711 1.00 0.00 C ATOM 0 HA PRO A 19 -4.048 37.113 -9.486 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.912 36.976 -9.783 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.123 38.327 -8.993 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.137 38.108 -11.807 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.134 39.497 -10.739 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.310 39.235 -12.792 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.925 40.110 -11.323 1.00 0.00 H new ATOM 314 N SER A 20 -4.603 35.435 -11.947 1.00 0.00 N ATOM 315 CA SER A 20 -4.558 33.968 -12.322 1.00 0.00 C ATOM 316 C SER A 20 -3.140 33.425 -12.256 1.00 0.00 C ATOM 317 O SER A 20 -2.873 32.265 -12.586 1.00 0.00 O ATOM 318 CB SER A 20 -5.208 33.723 -13.710 1.00 0.00 C ATOM 319 OG SER A 20 -5.031 34.890 -14.579 1.00 0.00 O ATOM 0 H SER A 20 -4.357 36.091 -12.689 1.00 0.00 H new ATOM 0 HA SER A 20 -5.147 33.417 -11.589 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.761 32.845 -14.176 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.270 33.513 -13.587 1.00 0.00 H new ATOM 0 HG SER A 20 -5.446 34.716 -15.450 1.00 0.00 H new ATOM 325 N ASP A 21 -2.149 34.290 -11.910 1.00 0.00 N ATOM 326 CA ASP A 21 -0.788 33.867 -11.785 1.00 0.00 C ATOM 327 C ASP A 21 -0.630 33.108 -10.480 1.00 0.00 C ATOM 328 O ASP A 21 -1.543 33.112 -9.629 1.00 0.00 O ATOM 329 CB ASP A 21 0.296 35.033 -11.887 1.00 0.00 C ATOM 330 CG ASP A 21 0.564 35.501 -13.331 1.00 0.00 C ATOM 331 OD1 ASP A 21 1.350 36.454 -13.446 1.00 0.00 O ATOM 332 OD2 ASP A 21 0.012 34.978 -14.296 1.00 0.00 O ATOM 0 H ASP A 21 -2.300 35.280 -11.719 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.585 33.228 -12.644 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.041 35.884 -11.295 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.231 34.688 -11.446 1.00 0.00 H new ATOM 337 N THR A 22 0.532 32.463 -10.352 1.00 0.00 N ATOM 338 CA THR A 22 0.898 31.837 -9.059 1.00 0.00 C ATOM 339 C THR A 22 1.478 32.912 -8.078 1.00 0.00 C ATOM 340 O THR A 22 2.127 33.876 -8.487 1.00 0.00 O ATOM 341 CB THR A 22 1.991 30.721 -9.131 1.00 0.00 C ATOM 342 OG1 THR A 22 3.285 31.202 -9.464 1.00 0.00 O ATOM 343 CG2 THR A 22 1.544 29.690 -10.168 1.00 0.00 C ATOM 0 H THR A 22 1.222 32.356 -11.095 1.00 0.00 H new ATOM 0 HA THR A 22 -0.038 31.388 -8.727 1.00 0.00 H new ATOM 0 HB THR A 22 2.083 30.287 -8.136 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.204 31.952 -10.090 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.290 28.898 -10.239 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.588 29.262 -9.867 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.435 30.174 -11.139 1.00 0.00 H new ATOM 351 N ILE A 23 1.347 32.656 -6.800 1.00 0.00 N ATOM 352 CA ILE A 23 1.957 33.515 -5.774 1.00 0.00 C ATOM 353 C ILE A 23 3.496 33.784 -5.982 1.00 0.00 C ATOM 354 O ILE A 23 3.942 34.870 -5.642 1.00 0.00 O ATOM 355 CB ILE A 23 1.722 32.783 -4.409 1.00 0.00 C ATOM 356 CG1 ILE A 23 0.252 32.547 -3.944 1.00 0.00 C ATOM 357 CG2 ILE A 23 2.480 33.512 -3.262 1.00 0.00 C ATOM 358 CD1 ILE A 23 -0.696 33.761 -4.124 1.00 0.00 C ATOM 0 H ILE A 23 0.825 31.862 -6.429 1.00 0.00 H new ATOM 0 HA ILE A 23 1.496 34.502 -5.821 1.00 0.00 H new ATOM 0 HB ILE A 23 2.110 31.786 -4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.157 31.701 -4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.261 32.265 -2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.305 32.990 -2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.548 33.521 -3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.118 34.537 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.694 33.499 -3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.319 34.606 -3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.743 34.033 -5.178 1.00 0.00 H new ATOM 370 N GLU A 24 4.278 32.865 -6.537 1.00 0.00 N ATOM 371 CA GLU A 24 5.736 33.157 -6.869 1.00 0.00 C ATOM 372 C GLU A 24 5.890 34.420 -7.775 1.00 0.00 C ATOM 373 O GLU A 24 6.854 35.193 -7.729 1.00 0.00 O ATOM 374 CB GLU A 24 6.503 32.011 -7.562 1.00 0.00 C ATOM 375 CG GLU A 24 7.063 31.057 -6.471 1.00 0.00 C ATOM 376 CD GLU A 24 7.743 29.820 -7.074 1.00 0.00 C ATOM 377 OE1 GLU A 24 6.989 29.027 -7.637 1.00 0.00 O ATOM 378 OE2 GLU A 24 8.942 29.587 -6.871 1.00 0.00 O ATOM 0 H GLU A 24 3.970 31.922 -6.776 1.00 0.00 H new ATOM 0 HA GLU A 24 6.175 33.310 -5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.842 31.467 -8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.316 32.412 -8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.779 31.597 -5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.251 30.740 -5.817 1.00 0.00 H new ATOM 385 N ASN A 25 4.894 34.675 -8.653 1.00 0.00 N ATOM 386 CA ASN A 25 4.871 35.896 -9.427 1.00 0.00 C ATOM 387 C ASN A 25 4.888 37.212 -8.606 1.00 0.00 C ATOM 388 O ASN A 25 5.576 38.140 -9.048 1.00 0.00 O ATOM 389 CB ASN A 25 3.711 35.780 -10.428 1.00 0.00 C ATOM 390 CG ASN A 25 4.055 34.585 -11.371 1.00 0.00 C ATOM 391 OD1 ASN A 25 3.424 33.499 -11.295 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.085 34.698 -12.210 1.00 0.00 N ATOM 0 H ASN A 25 4.111 34.046 -8.829 1.00 0.00 H new ATOM 0 HA ASN A 25 5.816 35.989 -9.963 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.768 35.606 -9.910 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.596 36.702 -10.997 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.360 33.905 -12.789 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.597 35.578 -12.273 1.00 0.00 H new ATOM 399 N VAL A 26 4.138 37.311 -7.457 1.00 0.00 N ATOM 400 CA VAL A 26 4.112 38.480 -6.576 1.00 0.00 C ATOM 401 C VAL A 26 5.565 38.676 -6.034 1.00 0.00 C ATOM 402 O VAL A 26 6.078 39.783 -6.016 1.00 0.00 O ATOM 403 CB VAL A 26 3.192 38.172 -5.371 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.052 39.385 -4.375 1.00 0.00 C ATOM 405 CG2 VAL A 26 1.749 37.672 -5.798 1.00 0.00 C ATOM 0 H VAL A 26 3.533 36.556 -7.133 1.00 0.00 H new ATOM 0 HA VAL A 26 3.755 39.363 -7.106 1.00 0.00 H new ATOM 0 HB VAL A 26 3.696 37.357 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.394 39.106 -3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.034 39.648 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.631 40.241 -4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.154 37.474 -4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.260 38.440 -6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.840 36.758 -6.385 1.00 0.00 H new ATOM 415 N LYS A 27 6.217 37.560 -5.668 1.00 0.00 N ATOM 416 CA LYS A 27 7.641 37.629 -5.183 1.00 0.00 C ATOM 417 C LYS A 27 8.649 38.144 -6.249 1.00 0.00 C ATOM 418 O LYS A 27 9.479 39.042 -5.946 1.00 0.00 O ATOM 419 CB LYS A 27 8.134 36.225 -4.744 1.00 0.00 C ATOM 420 CG LYS A 27 7.544 35.675 -3.400 1.00 0.00 C ATOM 421 CD LYS A 27 8.139 34.236 -3.320 1.00 0.00 C ATOM 422 CE LYS A 27 7.789 33.725 -1.901 1.00 0.00 C ATOM 423 NZ LYS A 27 8.438 32.375 -1.672 1.00 0.00 N ATOM 0 H LYS A 27 5.815 36.623 -5.690 1.00 0.00 H new ATOM 0 HA LYS A 27 7.618 38.337 -4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.899 35.516 -5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.220 36.255 -4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.845 36.284 -2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.454 35.661 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.711 33.591 -4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.217 34.247 -3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.134 34.437 -1.152 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.708 33.644 -1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.706 31.672 -1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.944 32.082 -2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.110 32.443 -0.881 1.00 0.00 H new ATOM 437 N ALA A 28 8.464 37.743 -7.504 1.00 0.00 N ATOM 438 CA ALA A 28 9.278 38.294 -8.609 1.00 0.00 C ATOM 439 C ALA A 28 9.126 39.839 -8.771 1.00 0.00 C ATOM 440 O ALA A 28 10.099 40.544 -9.103 1.00 0.00 O ATOM 441 CB ALA A 28 8.960 37.526 -9.927 1.00 0.00 C ATOM 0 H ALA A 28 7.772 37.050 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 28 10.328 38.141 -8.359 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.561 37.934 -10.740 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.194 36.469 -9.798 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.902 37.637 -10.167 1.00 0.00 H new ATOM 447 N LYS A 29 7.893 40.344 -8.573 1.00 0.00 N ATOM 448 CA LYS A 29 7.608 41.809 -8.585 1.00 0.00 C ATOM 449 C LYS A 29 8.302 42.519 -7.450 1.00 0.00 C ATOM 450 O LYS A 29 8.978 43.515 -7.755 1.00 0.00 O ATOM 451 CB LYS A 29 6.073 42.147 -8.535 1.00 0.00 C ATOM 452 CG LYS A 29 5.318 41.833 -9.870 1.00 0.00 C ATOM 453 CD LYS A 29 5.508 43.004 -10.879 1.00 0.00 C ATOM 454 CE LYS A 29 5.076 42.524 -12.315 1.00 0.00 C ATOM 455 NZ LYS A 29 4.984 43.700 -13.228 1.00 0.00 N ATOM 0 H LYS A 29 7.071 39.765 -8.402 1.00 0.00 H new ATOM 0 HA LYS A 29 7.999 42.165 -9.538 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.611 41.582 -7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.950 43.204 -8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.696 40.906 -10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.257 41.683 -9.670 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.910 43.863 -10.574 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.549 43.327 -10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.799 41.806 -12.702 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.114 42.013 -12.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.699 43.382 -14.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.279 44.370 -12.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.911 44.169 -13.285 1.00 0.00 H new ATOM 469 N ILE A 30 8.284 41.991 -6.212 1.00 0.00 N ATOM 470 CA ILE A 30 9.034 42.654 -5.090 1.00 0.00 C ATOM 471 C ILE A 30 10.541 42.647 -5.332 1.00 0.00 C ATOM 472 O ILE A 30 11.261 43.619 -5.033 1.00 0.00 O ATOM 473 CB ILE A 30 8.682 42.036 -3.737 1.00 0.00 C ATOM 474 CG1 ILE A 30 7.117 42.043 -3.547 1.00 0.00 C ATOM 475 CG2 ILE A 30 9.301 42.934 -2.580 1.00 0.00 C ATOM 476 CD1 ILE A 30 6.560 41.053 -2.461 1.00 0.00 C ATOM 0 H ILE A 30 7.784 41.141 -5.953 1.00 0.00 H new ATOM 0 HA ILE A 30 8.717 43.697 -5.066 1.00 0.00 H new ATOM 0 HB ILE A 30 9.072 41.019 -3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.805 43.054 -3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.652 41.804 -4.503 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.054 42.500 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.384 42.977 -2.693 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.889 43.941 -2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.474 41.139 -2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.831 40.031 -2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.987 41.301 -1.489 1.00 0.00 H new ATOM 488 N GLN A 31 11.063 41.579 -5.951 1.00 0.00 N ATOM 489 CA GLN A 31 12.452 41.526 -6.367 1.00 0.00 C ATOM 490 C GLN A 31 12.802 42.631 -7.372 1.00 0.00 C ATOM 491 O GLN A 31 13.818 43.307 -7.132 1.00 0.00 O ATOM 492 CB GLN A 31 12.648 40.049 -6.846 1.00 0.00 C ATOM 493 CG GLN A 31 13.979 39.625 -7.574 1.00 0.00 C ATOM 494 CD GLN A 31 15.288 40.095 -6.985 1.00 0.00 C ATOM 495 OE1 GLN A 31 16.025 39.385 -6.278 1.00 0.00 O ATOM 496 NE2 GLN A 31 15.728 41.229 -7.441 1.00 0.00 N ATOM 0 H GLN A 31 10.530 40.738 -6.172 1.00 0.00 H new ATOM 0 HA GLN A 31 13.164 41.746 -5.572 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.539 39.408 -5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.823 39.814 -7.518 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.004 38.536 -7.618 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.927 39.984 -8.602 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.126 41.814 -8.021 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.675 41.535 -7.219 1.00 0.00 H new ATOM 505 N ASP A 32 11.940 42.932 -8.428 1.00 0.00 N ATOM 506 CA ASP A 32 12.115 44.031 -9.392 1.00 0.00 C ATOM 507 C ASP A 32 12.035 45.397 -8.727 1.00 0.00 C ATOM 508 O ASP A 32 12.915 46.211 -8.899 1.00 0.00 O ATOM 509 CB ASP A 32 10.991 43.840 -10.522 1.00 0.00 C ATOM 510 CG ASP A 32 11.092 44.626 -11.865 1.00 0.00 C ATOM 511 OD1 ASP A 32 10.677 44.028 -12.861 1.00 0.00 O ATOM 512 OD2 ASP A 32 11.355 45.802 -11.860 1.00 0.00 O ATOM 0 H ASP A 32 11.097 42.386 -8.607 1.00 0.00 H new ATOM 0 HA ASP A 32 13.110 43.994 -9.835 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.958 42.779 -10.769 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.032 44.092 -10.070 1.00 0.00 H new ATOM 517 N LYS A 33 10.981 45.590 -8.017 1.00 0.00 N ATOM 518 CA LYS A 33 10.758 46.841 -7.227 1.00 0.00 C ATOM 519 C LYS A 33 11.889 47.195 -6.213 1.00 0.00 C ATOM 520 O LYS A 33 12.411 48.348 -6.070 1.00 0.00 O ATOM 521 CB LYS A 33 9.448 46.696 -6.425 1.00 0.00 C ATOM 522 CG LYS A 33 8.136 46.649 -7.326 1.00 0.00 C ATOM 523 CD LYS A 33 7.671 48.034 -7.847 1.00 0.00 C ATOM 524 CE LYS A 33 8.336 48.431 -9.204 1.00 0.00 C ATOM 525 NZ LYS A 33 7.973 49.814 -9.551 1.00 0.00 N ATOM 0 H LYS A 33 10.224 44.911 -7.939 1.00 0.00 H new ATOM 0 HA LYS A 33 10.729 47.646 -7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.499 45.785 -5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.367 47.530 -5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.318 45.995 -8.179 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.328 46.201 -6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.588 48.025 -7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.902 48.793 -7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.419 48.337 -9.130 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.011 47.751 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.418 50.073 -10.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.940 49.890 -9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.305 50.458 -8.805 1.00 0.00 H new ATOM 539 N GLU A 34 12.267 46.192 -5.437 1.00 0.00 N ATOM 540 CA GLU A 34 13.078 46.460 -4.225 1.00 0.00 C ATOM 541 C GLU A 34 14.421 45.760 -4.152 1.00 0.00 C ATOM 542 O GLU A 34 15.202 46.091 -3.253 1.00 0.00 O ATOM 543 CB GLU A 34 12.205 46.083 -2.990 1.00 0.00 C ATOM 544 CG GLU A 34 11.127 47.213 -2.657 1.00 0.00 C ATOM 545 CD GLU A 34 11.766 48.528 -2.151 1.00 0.00 C ATOM 546 OE1 GLU A 34 11.450 49.569 -2.766 1.00 0.00 O ATOM 547 OE2 GLU A 34 12.505 48.515 -1.160 1.00 0.00 O ATOM 0 H GLU A 34 12.043 45.211 -5.602 1.00 0.00 H new ATOM 0 HA GLU A 34 13.343 47.517 -4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.695 45.139 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.848 45.928 -2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.539 47.422 -3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.436 46.837 -1.902 1.00 0.00 H new ATOM 554 N GLY A 35 14.753 44.838 -5.048 1.00 0.00 N ATOM 555 CA GLY A 35 16.061 44.130 -5.029 1.00 0.00 C ATOM 556 C GLY A 35 16.205 43.022 -3.977 1.00 0.00 C ATOM 557 O GLY A 35 17.313 42.596 -3.687 1.00 0.00 O ATOM 0 H GLY A 35 14.139 44.550 -5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.232 43.695 -6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.849 44.865 -4.865 1.00 0.00 H new ATOM 561 N ILE A 36 15.070 42.562 -3.468 1.00 0.00 N ATOM 562 CA ILE A 36 14.977 41.544 -2.428 1.00 0.00 C ATOM 563 C ILE A 36 14.930 40.107 -3.038 1.00 0.00 C ATOM 564 O ILE A 36 14.018 39.901 -3.850 1.00 0.00 O ATOM 565 CB ILE A 36 13.685 41.756 -1.557 1.00 0.00 C ATOM 566 CG1 ILE A 36 13.658 43.266 -1.110 1.00 0.00 C ATOM 567 CG2 ILE A 36 13.635 40.753 -0.338 1.00 0.00 C ATOM 568 CD1 ILE A 36 12.678 43.596 0.028 1.00 0.00 C ATOM 0 H ILE A 36 14.158 42.898 -3.777 1.00 0.00 H new ATOM 0 HA ILE A 36 15.867 41.642 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 36 12.789 41.537 -2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 36 14.662 43.554 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.405 43.880 -1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.729 40.929 0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.635 39.728 -0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.507 40.908 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.736 44.659 0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.663 43.347 -0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.940 43.016 0.913 1.00 0.00 H new ATOM 580 N PRO A 37 15.843 39.210 -2.707 1.00 0.00 N ATOM 581 CA PRO A 37 15.837 37.802 -3.244 1.00 0.00 C ATOM 582 C PRO A 37 14.483 37.091 -2.983 1.00 0.00 C ATOM 583 O PRO A 37 13.984 37.297 -1.912 1.00 0.00 O ATOM 584 CB PRO A 37 17.079 37.172 -2.549 1.00 0.00 C ATOM 585 CG PRO A 37 18.072 38.321 -2.458 1.00 0.00 C ATOM 586 CD PRO A 37 17.212 39.572 -2.239 1.00 0.00 C ATOM 0 HA PRO A 37 15.916 37.722 -4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.829 36.781 -1.563 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.482 36.341 -3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.772 38.174 -1.635 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.664 38.404 -3.369 1.00 0.00 H new ATOM 0 HD2 PRO A 37 17.202 39.861 -1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.605 40.420 -2.799 1.00 0.00 H new ATOM 594 N PRO A 38 13.883 36.358 -3.882 1.00 0.00 N ATOM 595 CA PRO A 38 12.480 35.873 -3.569 1.00 0.00 C ATOM 596 C PRO A 38 12.388 34.655 -2.665 1.00 0.00 C ATOM 597 O PRO A 38 11.308 34.358 -2.165 1.00 0.00 O ATOM 598 CB PRO A 38 11.890 35.508 -4.919 1.00 0.00 C ATOM 599 CG PRO A 38 13.128 35.194 -5.809 1.00 0.00 C ATOM 600 CD PRO A 38 14.234 36.138 -5.290 1.00 0.00 C ATOM 0 HA PRO A 38 11.961 36.661 -3.023 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.226 34.647 -4.843 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.302 36.328 -5.331 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.425 34.149 -5.719 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.915 35.376 -6.862 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.222 35.688 -5.389 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.253 37.075 -5.847 1.00 0.00 H new ATOM 608 N ASP A 39 13.451 33.868 -2.520 1.00 0.00 N ATOM 609 CA ASP A 39 13.395 32.596 -1.802 1.00 0.00 C ATOM 610 C ASP A 39 13.167 32.680 -0.270 1.00 0.00 C ATOM 611 O ASP A 39 12.473 31.867 0.385 1.00 0.00 O ATOM 612 CB ASP A 39 14.698 31.866 -2.233 1.00 0.00 C ATOM 613 CG ASP A 39 16.094 32.586 -2.025 1.00 0.00 C ATOM 614 OD1 ASP A 39 16.172 33.804 -2.010 1.00 0.00 O ATOM 615 OD2 ASP A 39 17.117 31.879 -2.010 1.00 0.00 O ATOM 0 H ASP A 39 14.373 34.092 -2.895 1.00 0.00 H new ATOM 0 HA ASP A 39 12.499 32.037 -2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.735 30.918 -1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.606 31.629 -3.293 1.00 0.00 H new ATOM 620 N GLN A 40 13.741 33.759 0.306 1.00 0.00 N ATOM 621 CA GLN A 40 13.652 34.090 1.724 1.00 0.00 C ATOM 622 C GLN A 40 12.341 34.754 2.103 1.00 0.00 C ATOM 623 O GLN A 40 11.991 34.874 3.276 1.00 0.00 O ATOM 624 CB GLN A 40 14.817 34.992 2.143 1.00 0.00 C ATOM 625 CG GLN A 40 15.119 36.201 1.083 1.00 0.00 C ATOM 626 CD GLN A 40 16.117 37.187 1.628 1.00 0.00 C ATOM 627 OE1 GLN A 40 17.091 37.435 0.897 1.00 0.00 O ATOM 628 NE2 GLN A 40 15.813 37.998 2.664 1.00 0.00 N ATOM 0 H GLN A 40 14.291 34.434 -0.226 1.00 0.00 H new ATOM 0 HA GLN A 40 13.702 33.141 2.257 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.600 35.422 3.121 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.715 34.384 2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.496 35.781 0.150 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.189 36.718 0.847 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.012 37.787 3.259 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.385 38.822 2.852 1.00 0.00 H new ATOM 637 N GLN A 41 11.566 35.163 1.085 1.00 0.00 N ATOM 638 CA GLN A 41 10.356 35.923 1.334 1.00 0.00 C ATOM 639 C GLN A 41 9.191 35.010 1.797 1.00 0.00 C ATOM 640 O GLN A 41 8.892 33.956 1.236 1.00 0.00 O ATOM 641 CB GLN A 41 9.887 36.739 0.075 1.00 0.00 C ATOM 642 CG GLN A 41 10.990 37.718 -0.517 1.00 0.00 C ATOM 643 CD GLN A 41 10.481 38.543 -1.697 1.00 0.00 C ATOM 644 OE1 GLN A 41 9.293 38.860 -1.832 1.00 0.00 O ATOM 645 NE2 GLN A 41 11.340 38.935 -2.618 1.00 0.00 N ATOM 0 H GLN A 41 11.761 34.978 0.101 1.00 0.00 H new ATOM 0 HA GLN A 41 10.610 36.624 2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.583 36.040 -0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.006 37.322 0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.331 38.391 0.270 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.854 37.134 -0.834 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.326 38.689 -2.533 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.018 39.485 -3.415 1.00 0.00 H new ATOM 654 N ARG A 42 8.453 35.516 2.760 1.00 0.00 N ATOM 655 CA ARG A 42 7.186 34.835 3.099 1.00 0.00 C ATOM 656 C ARG A 42 6.104 35.867 2.972 1.00 0.00 C ATOM 657 O ARG A 42 6.173 36.829 3.715 1.00 0.00 O ATOM 658 CB ARG A 42 7.207 34.218 4.542 1.00 0.00 C ATOM 659 CG ARG A 42 7.978 32.922 4.713 1.00 0.00 C ATOM 660 CD ARG A 42 7.262 31.647 4.146 1.00 0.00 C ATOM 661 NE ARG A 42 8.130 30.432 4.391 1.00 0.00 N ATOM 662 CZ ARG A 42 8.096 29.686 5.463 1.00 0.00 C ATOM 663 NH1 ARG A 42 7.303 29.872 6.496 1.00 0.00 N ATOM 664 NH2 ARG A 42 8.982 28.732 5.624 1.00 0.00 N ATOM 0 H ARG A 42 8.675 36.349 3.306 1.00 0.00 H new ATOM 0 HA ARG A 42 7.019 33.994 2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.628 34.958 5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.177 34.046 4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.946 33.025 4.223 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.173 32.770 5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.292 31.517 4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.076 31.765 3.079 1.00 0.00 H new ATOM 0 HE ARG A 42 8.795 30.175 3.661 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.645 30.652 6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.346 29.237 7.293 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.696 28.574 4.913 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.957 28.149 6.460 1.00 0.00 H new ATOM 678 N LEU A 43 5.096 35.595 2.095 1.00 0.00 N ATOM 679 CA LEU A 43 4.026 36.515 1.844 1.00 0.00 C ATOM 680 C LEU A 43 2.858 36.126 2.725 1.00 0.00 C ATOM 681 O LEU A 43 2.478 34.972 2.882 1.00 0.00 O ATOM 682 CB LEU A 43 3.583 36.436 0.343 1.00 0.00 C ATOM 683 CG LEU A 43 4.645 36.825 -0.677 1.00 0.00 C ATOM 684 CD1 LEU A 43 3.894 36.867 -2.021 1.00 0.00 C ATOM 685 CD2 LEU A 43 5.241 38.209 -0.370 1.00 0.00 C ATOM 0 H LEU A 43 5.032 34.728 1.561 1.00 0.00 H new ATOM 0 HA LEU A 43 4.356 37.532 2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.258 35.417 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.717 37.083 0.204 1.00 0.00 H new ATOM 0 HG LEU A 43 5.479 36.123 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.587 37.141 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.469 35.885 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.093 37.605 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.995 38.454 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.450 38.959 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.701 38.196 0.618 1.00 0.00 H new ATOM 697 N ILE A 44 2.185 37.158 3.265 1.00 0.00 N ATOM 698 CA ILE A 44 1.092 36.945 4.195 1.00 0.00 C ATOM 699 C ILE A 44 -0.090 37.742 3.705 1.00 0.00 C ATOM 700 O ILE A 44 0.054 38.928 3.504 1.00 0.00 O ATOM 701 CB ILE A 44 1.439 37.330 5.658 1.00 0.00 C ATOM 702 CG1 ILE A 44 2.971 37.255 5.891 1.00 0.00 C ATOM 703 CG2 ILE A 44 0.698 36.269 6.568 1.00 0.00 C ATOM 704 CD1 ILE A 44 3.281 37.698 7.352 1.00 0.00 C ATOM 0 H ILE A 44 2.387 38.138 3.067 1.00 0.00 H new ATOM 0 HA ILE A 44 0.869 35.878 4.222 1.00 0.00 H new ATOM 0 HB ILE A 44 1.128 38.349 5.887 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.329 36.240 5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.492 37.899 5.183 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.902 36.484 7.617 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.376 36.323 6.389 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.057 35.269 6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.356 37.649 7.527 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.935 38.720 7.503 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.769 37.035 8.050 1.00 0.00 H new ATOM 716 N PHE A 45 -1.216 37.059 3.614 1.00 0.00 N ATOM 717 CA PHE A 45 -2.513 37.679 3.518 1.00 0.00 C ATOM 718 C PHE A 45 -3.327 36.848 4.522 1.00 0.00 C ATOM 719 O PHE A 45 -3.185 35.623 4.662 1.00 0.00 O ATOM 720 CB PHE A 45 -3.119 37.643 2.089 1.00 0.00 C ATOM 721 CG PHE A 45 -4.359 38.553 2.055 1.00 0.00 C ATOM 722 CD1 PHE A 45 -4.295 39.959 1.911 1.00 0.00 C ATOM 723 CD2 PHE A 45 -5.607 37.939 2.275 1.00 0.00 C ATOM 724 CE1 PHE A 45 -5.468 40.721 1.910 1.00 0.00 C ATOM 725 CE2 PHE A 45 -6.781 38.715 2.272 1.00 0.00 C ATOM 726 CZ PHE A 45 -6.709 40.096 2.085 1.00 0.00 C ATOM 0 H PHE A 45 -1.249 36.040 3.605 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.492 38.747 3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.383 37.979 1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.392 36.623 1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.337 40.446 1.801 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.663 36.874 2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.417 41.791 1.774 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.741 38.240 2.415 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.614 40.685 2.075 1.00 0.00 H new ATOM 736 N ALA A 46 -4.161 37.562 5.334 1.00 0.00 N ATOM 737 CA ALA A 46 -5.095 36.990 6.330 1.00 0.00 C ATOM 738 C ALA A 46 -4.746 35.702 7.105 1.00 0.00 C ATOM 739 O ALA A 46 -5.483 34.704 7.143 1.00 0.00 O ATOM 740 CB ALA A 46 -6.490 36.803 5.711 1.00 0.00 C ATOM 0 H ALA A 46 -4.197 38.581 5.306 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.027 37.757 7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.165 36.382 6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.873 37.768 5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.422 36.127 4.859 1.00 0.00 H new ATOM 746 N GLY A 47 -3.746 35.826 7.969 1.00 0.00 N ATOM 747 CA GLY A 47 -3.518 34.858 9.070 1.00 0.00 C ATOM 748 C GLY A 47 -2.542 33.826 8.612 1.00 0.00 C ATOM 749 O GLY A 47 -2.032 33.082 9.424 1.00 0.00 O ATOM 0 H GLY A 47 -3.068 36.588 7.940 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.136 35.373 9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.458 34.387 9.358 1.00 0.00 H new ATOM 753 N LYS A 48 -2.366 33.638 7.274 1.00 0.00 N ATOM 754 CA LYS A 48 -1.592 32.507 6.765 1.00 0.00 C ATOM 755 C LYS A 48 -0.523 32.913 5.770 1.00 0.00 C ATOM 756 O LYS A 48 -0.782 33.692 4.904 1.00 0.00 O ATOM 757 CB LYS A 48 -2.513 31.550 5.955 1.00 0.00 C ATOM 758 CG LYS A 48 -3.538 30.850 6.864 1.00 0.00 C ATOM 759 CD LYS A 48 -2.904 29.910 7.888 1.00 0.00 C ATOM 760 CE LYS A 48 -2.300 28.587 7.274 1.00 0.00 C ATOM 761 NZ LYS A 48 -1.887 27.764 8.430 1.00 0.00 N ATOM 0 H LYS A 48 -2.748 34.251 6.554 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.148 32.052 7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.036 32.114 5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.905 30.802 5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.122 31.606 7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.234 30.284 6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.114 30.446 8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.656 29.641 8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.038 28.065 6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.451 28.807 6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.477 26.870 8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.178 28.281 8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.715 27.561 9.025 1.00 0.00 H new ATOM 775 N GLN A 49 0.662 32.307 5.869 1.00 0.00 N ATOM 776 CA GLN A 49 1.736 32.560 4.866 1.00 0.00 C ATOM 777 C GLN A 49 1.320 31.819 3.522 1.00 0.00 C ATOM 778 O GLN A 49 1.085 30.622 3.515 1.00 0.00 O ATOM 779 CB GLN A 49 3.116 32.052 5.413 1.00 0.00 C ATOM 780 CG GLN A 49 3.643 32.918 6.652 1.00 0.00 C ATOM 781 CD GLN A 49 4.819 32.248 7.350 1.00 0.00 C ATOM 782 OE1 GLN A 49 5.953 32.730 7.223 1.00 0.00 O ATOM 783 NE2 GLN A 49 4.482 31.174 8.094 1.00 0.00 N ATOM 0 H GLN A 49 0.913 31.651 6.609 1.00 0.00 H new ATOM 0 HA GLN A 49 1.850 33.626 4.670 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.021 31.010 5.717 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.854 32.084 4.612 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.942 33.907 6.304 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.832 33.063 7.365 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.512 30.861 8.127 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.197 30.675 8.623 1.00 0.00 H new ATOM 792 N LEU A 50 1.189 32.611 2.404 1.00 0.00 N ATOM 793 CA LEU A 50 0.775 32.213 1.060 1.00 0.00 C ATOM 794 C LEU A 50 1.800 31.267 0.546 1.00 0.00 C ATOM 795 O LEU A 50 3.029 31.431 0.725 1.00 0.00 O ATOM 796 CB LEU A 50 0.645 33.576 0.258 1.00 0.00 C ATOM 797 CG LEU A 50 -0.363 34.597 0.907 1.00 0.00 C ATOM 798 CD1 LEU A 50 -0.589 35.770 -0.122 1.00 0.00 C ATOM 799 CD2 LEU A 50 -1.740 33.916 1.191 1.00 0.00 C ATOM 0 H LEU A 50 1.390 33.610 2.449 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.176 31.685 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.628 34.043 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.324 33.359 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 50 0.047 34.960 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.285 36.495 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.362 36.259 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.001 35.368 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.419 34.641 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.165 33.551 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.598 33.080 1.876 1.00 0.00 H new ATOM 811 N GLU A 51 1.320 30.206 -0.092 1.00 0.00 N ATOM 812 CA GLU A 51 2.228 29.190 -0.502 1.00 0.00 C ATOM 813 C GLU A 51 2.522 29.409 -1.953 1.00 0.00 C ATOM 814 O GLU A 51 1.641 29.631 -2.795 1.00 0.00 O ATOM 815 CB GLU A 51 1.660 27.802 -0.261 1.00 0.00 C ATOM 816 CG GLU A 51 1.318 27.508 1.234 1.00 0.00 C ATOM 817 CD GLU A 51 0.801 26.035 1.475 1.00 0.00 C ATOM 818 OE1 GLU A 51 0.752 25.250 0.526 1.00 0.00 O ATOM 819 OE2 GLU A 51 0.427 25.732 2.615 1.00 0.00 O ATOM 0 H GLU A 51 0.339 30.046 -0.322 1.00 0.00 H new ATOM 0 HA GLU A 51 3.144 29.250 0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.758 27.680 -0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.378 27.061 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.205 27.679 1.844 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.558 28.213 1.572 1.00 0.00 H new ATOM 826 N ASP A 52 3.845 29.238 -2.247 1.00 0.00 N ATOM 827 CA ASP A 52 4.457 29.636 -3.476 1.00 0.00 C ATOM 828 C ASP A 52 3.842 29.176 -4.823 1.00 0.00 C ATOM 829 O ASP A 52 3.660 30.037 -5.678 1.00 0.00 O ATOM 830 CB ASP A 52 5.869 28.997 -3.485 1.00 0.00 C ATOM 831 CG ASP A 52 6.677 29.605 -2.304 1.00 0.00 C ATOM 832 OD1 ASP A 52 7.562 28.930 -1.834 1.00 0.00 O ATOM 833 OD2 ASP A 52 6.384 30.694 -1.844 1.00 0.00 O ATOM 0 H ASP A 52 4.500 28.805 -1.596 1.00 0.00 H new ATOM 0 HA ASP A 52 4.362 30.722 -3.460 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.798 27.914 -3.381 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.371 29.194 -4.432 1.00 0.00 H new ATOM 838 N GLY A 53 3.472 27.882 -4.884 1.00 0.00 N ATOM 839 CA GLY A 53 2.898 27.190 -6.069 1.00 0.00 C ATOM 840 C GLY A 53 1.397 27.386 -6.370 1.00 0.00 C ATOM 841 O GLY A 53 0.949 27.046 -7.475 1.00 0.00 O ATOM 0 H GLY A 53 3.566 27.260 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.459 27.512 -6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.077 26.121 -5.950 1.00 0.00 H new ATOM 845 N ARG A 54 0.644 28.014 -5.475 1.00 0.00 N ATOM 846 CA ARG A 54 -0.816 28.187 -5.648 1.00 0.00 C ATOM 847 C ARG A 54 -1.069 29.512 -6.363 1.00 0.00 C ATOM 848 O ARG A 54 -0.122 30.229 -6.628 1.00 0.00 O ATOM 849 CB ARG A 54 -1.543 28.099 -4.239 1.00 0.00 C ATOM 850 CG ARG A 54 -0.896 26.883 -3.479 1.00 0.00 C ATOM 851 CD ARG A 54 -1.748 26.439 -2.239 1.00 0.00 C ATOM 852 NE ARG A 54 -1.104 25.279 -1.588 1.00 0.00 N ATOM 853 CZ ARG A 54 -0.744 24.121 -2.242 1.00 0.00 C ATOM 854 NH1 ARG A 54 -1.368 23.710 -3.333 1.00 0.00 N ATOM 855 NH2 ARG A 54 0.143 23.284 -1.696 1.00 0.00 N ATOM 0 H ARG A 54 1.011 28.418 -4.614 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.232 27.389 -6.263 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.411 29.023 -3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.616 27.952 -4.364 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.790 26.043 -4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.107 27.154 -3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.837 27.263 -1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.759 26.178 -2.553 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.913 25.340 -0.588 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.141 24.255 -3.714 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.076 22.848 -3.793 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.558 23.501 -0.790 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.405 22.428 -2.185 1.00 0.00 H new ATOM 869 N THR A 55 -2.334 29.802 -6.758 1.00 0.00 N ATOM 870 CA THR A 55 -2.649 31.057 -7.392 1.00 0.00 C ATOM 871 C THR A 55 -3.196 32.036 -6.387 1.00 0.00 C ATOM 872 O THR A 55 -3.747 31.641 -5.385 1.00 0.00 O ATOM 873 CB THR A 55 -3.662 30.929 -8.555 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.880 30.317 -8.189 1.00 0.00 O ATOM 875 CG2 THR A 55 -3.062 29.949 -9.576 1.00 0.00 C ATOM 0 H THR A 55 -3.129 29.174 -6.640 1.00 0.00 H new ATOM 0 HA THR A 55 -1.708 31.414 -7.811 1.00 0.00 H new ATOM 0 HB THR A 55 -3.849 31.942 -8.910 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.707 29.405 -7.876 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.749 29.831 -10.414 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.110 30.338 -9.938 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.901 28.982 -9.100 1.00 0.00 H new ATOM 883 N LEU A 56 -3.119 33.307 -6.789 1.00 0.00 N ATOM 884 CA LEU A 56 -3.919 34.376 -6.167 1.00 0.00 C ATOM 885 C LEU A 56 -5.458 34.103 -6.227 1.00 0.00 C ATOM 886 O LEU A 56 -6.120 34.431 -5.241 1.00 0.00 O ATOM 887 CB LEU A 56 -3.611 35.775 -6.768 1.00 0.00 C ATOM 888 CG LEU A 56 -2.182 36.311 -6.478 1.00 0.00 C ATOM 889 CD1 LEU A 56 -1.180 35.742 -7.541 1.00 0.00 C ATOM 890 CD2 LEU A 56 -2.172 37.858 -6.672 1.00 0.00 C ATOM 0 H LEU A 56 -2.511 33.626 -7.543 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.619 34.376 -5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.754 35.730 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.337 36.489 -6.379 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.901 36.020 -5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.178 36.119 -7.335 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.175 34.653 -7.490 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.489 36.057 -8.538 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.173 38.244 -6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.454 38.098 -7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.883 38.316 -5.984 1.00 0.00 H new ATOM 902 N SER A 57 -5.981 33.466 -7.311 1.00 0.00 N ATOM 903 CA SER A 57 -7.362 32.986 -7.390 1.00 0.00 C ATOM 904 C SER A 57 -7.716 31.954 -6.316 1.00 0.00 C ATOM 905 O SER A 57 -8.871 32.002 -5.910 1.00 0.00 O ATOM 906 CB SER A 57 -7.605 32.444 -8.847 1.00 0.00 C ATOM 907 OG SER A 57 -8.949 31.884 -9.059 1.00 0.00 O ATOM 0 H SER A 57 -5.439 33.277 -8.154 1.00 0.00 H new ATOM 0 HA SER A 57 -8.034 33.819 -7.184 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.444 33.255 -9.557 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.863 31.676 -9.067 1.00 0.00 H new ATOM 0 HG SER A 57 -9.030 31.569 -9.983 1.00 0.00 H new ATOM 913 N ASP A 58 -6.795 31.085 -5.883 1.00 0.00 N ATOM 914 CA ASP A 58 -7.064 30.113 -4.794 1.00 0.00 C ATOM 915 C ASP A 58 -7.452 30.717 -3.422 1.00 0.00 C ATOM 916 O ASP A 58 -8.427 30.285 -2.833 1.00 0.00 O ATOM 917 CB ASP A 58 -5.837 29.198 -4.615 1.00 0.00 C ATOM 918 CG ASP A 58 -5.670 28.380 -5.913 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.704 27.822 -6.371 1.00 0.00 O ATOM 920 OD2 ASP A 58 -4.567 28.345 -6.437 1.00 0.00 O ATOM 0 H ASP A 58 -5.851 31.028 -6.266 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.948 29.565 -5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.943 29.790 -4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.975 28.536 -3.760 1.00 0.00 H new ATOM 925 N TYR A 59 -6.699 31.746 -3.052 1.00 0.00 N ATOM 926 CA TYR A 59 -6.888 32.583 -1.813 1.00 0.00 C ATOM 927 C TYR A 59 -7.932 33.671 -1.969 1.00 0.00 C ATOM 928 O TYR A 59 -8.292 34.279 -0.973 1.00 0.00 O ATOM 929 CB TYR A 59 -5.585 33.210 -1.236 1.00 0.00 C ATOM 930 CG TYR A 59 -4.611 32.189 -0.664 1.00 0.00 C ATOM 931 CD1 TYR A 59 -3.627 31.762 -1.535 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.683 31.659 0.646 1.00 0.00 C ATOM 933 CE1 TYR A 59 -2.621 30.952 -1.052 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.687 30.779 1.126 1.00 0.00 C ATOM 935 CZ TYR A 59 -2.659 30.376 0.238 1.00 0.00 C ATOM 936 OH TYR A 59 -1.579 29.582 0.707 1.00 0.00 O ATOM 0 H TYR A 59 -5.902 32.054 -3.609 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.244 31.848 -1.092 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.085 33.774 -2.024 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.851 33.922 -0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.645 32.057 -2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.509 31.930 1.287 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.770 30.750 -1.685 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.709 30.422 2.145 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.774 29.268 1.615 1.00 0.00 H new ATOM 946 N ASN A 60 -8.513 33.839 -3.160 1.00 0.00 N ATOM 947 CA ASN A 60 -9.551 34.844 -3.412 1.00 0.00 C ATOM 948 C ASN A 60 -9.029 36.277 -3.202 1.00 0.00 C ATOM 949 O ASN A 60 -9.640 37.083 -2.527 1.00 0.00 O ATOM 950 CB ASN A 60 -10.791 34.619 -2.451 1.00 0.00 C ATOM 951 CG ASN A 60 -11.220 33.124 -2.382 1.00 0.00 C ATOM 952 OD1 ASN A 60 -11.286 32.455 -1.302 1.00 0.00 O ATOM 953 ND2 ASN A 60 -11.589 32.585 -3.564 1.00 0.00 N ATOM 0 H ASN A 60 -8.276 33.280 -3.980 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.852 34.726 -4.453 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.540 34.970 -1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.631 35.220 -2.798 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.929 31.624 -3.602 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.528 33.139 -4.418 1.00 0.00 H new ATOM 960 N ILE A 61 -7.872 36.575 -3.756 1.00 0.00 N ATOM 961 CA ILE A 61 -7.232 37.908 -3.465 1.00 0.00 C ATOM 962 C ILE A 61 -7.856 39.067 -4.201 1.00 0.00 C ATOM 963 O ILE A 61 -7.916 39.102 -5.415 1.00 0.00 O ATOM 964 CB ILE A 61 -5.732 37.868 -3.843 1.00 0.00 C ATOM 965 CG1 ILE A 61 -5.007 36.755 -3.021 1.00 0.00 C ATOM 966 CG2 ILE A 61 -4.998 39.239 -3.515 1.00 0.00 C ATOM 967 CD1 ILE A 61 -5.082 36.982 -1.449 1.00 0.00 C ATOM 0 H ILE A 61 -7.350 35.966 -4.386 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.383 38.072 -2.398 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.684 37.675 -4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.449 35.789 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.961 36.712 -3.325 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.948 39.166 -3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.468 40.047 -4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.074 39.446 -2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.559 36.173 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.614 37.933 -1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.125 36.996 -1.133 1.00 0.00 H new ATOM 979 N GLN A 62 -8.302 40.075 -3.415 1.00 0.00 N ATOM 980 CA GLN A 62 -9.020 41.242 -3.975 1.00 0.00 C ATOM 981 C GLN A 62 -8.015 42.227 -4.539 1.00 0.00 C ATOM 982 O GLN A 62 -6.898 42.357 -3.980 1.00 0.00 O ATOM 983 CB GLN A 62 -9.860 42.011 -2.874 1.00 0.00 C ATOM 984 CG GLN A 62 -11.134 41.213 -2.432 1.00 0.00 C ATOM 985 CD GLN A 62 -11.968 40.799 -3.686 1.00 0.00 C ATOM 986 OE1 GLN A 62 -12.867 41.492 -4.214 1.00 0.00 O ATOM 987 NE2 GLN A 62 -11.733 39.601 -4.166 1.00 0.00 N ATOM 0 H GLN A 62 -8.179 40.104 -2.403 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.695 40.863 -4.742 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.230 42.196 -2.004 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.160 42.984 -3.263 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.841 40.326 -1.871 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.743 41.824 -1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.005 39.019 -3.751 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.278 39.251 -4.954 1.00 0.00 H new ATOM 996 N LYS A 63 -8.511 42.967 -5.554 1.00 0.00 N ATOM 997 CA LYS A 63 -7.841 44.154 -6.085 1.00 0.00 C ATOM 998 C LYS A 63 -7.648 45.213 -5.012 1.00 0.00 C ATOM 999 O LYS A 63 -8.496 45.574 -4.205 1.00 0.00 O ATOM 1000 CB LYS A 63 -8.681 44.729 -7.251 1.00 0.00 C ATOM 1001 CG LYS A 63 -8.327 46.245 -7.536 1.00 0.00 C ATOM 1002 CD LYS A 63 -9.017 46.704 -8.837 1.00 0.00 C ATOM 1003 CE LYS A 63 -8.831 48.221 -9.170 1.00 0.00 C ATOM 1004 NZ LYS A 63 -9.657 49.069 -8.236 1.00 0.00 N ATOM 0 H LYS A 63 -9.390 42.750 -6.023 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.853 43.864 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.506 44.139 -8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.741 44.641 -7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.651 46.867 -6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.247 46.366 -7.623 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.630 46.113 -9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.083 46.489 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.779 48.493 -9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.126 48.412 -10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.659 50.053 -8.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.633 48.709 -8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.250 49.030 -7.280 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.451 45.782 -5.077 1.00 0.00 N ATOM 1019 CA GLU A 64 -5.996 46.814 -4.159 1.00 0.00 C ATOM 1020 C GLU A 64 -5.824 46.216 -2.748 1.00 0.00 C ATOM 1021 O GLU A 64 -5.765 46.919 -1.731 1.00 0.00 O ATOM 1022 CB GLU A 64 -6.759 48.138 -4.249 1.00 0.00 C ATOM 1023 CG GLU A 64 -6.615 49.000 -5.592 1.00 0.00 C ATOM 1024 CD GLU A 64 -7.763 50.045 -5.678 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -7.517 51.273 -5.647 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -8.903 49.588 -5.774 1.00 0.00 O ATOM 0 H GLU A 64 -5.758 45.533 -5.783 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.007 47.143 -4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.818 47.924 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.441 48.764 -3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.650 49.506 -5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.645 48.343 -6.461 1.00 0.00 H new ATOM 1033 N SER A 65 -5.680 44.864 -2.657 1.00 0.00 N ATOM 1034 CA SER A 65 -5.219 44.171 -1.423 1.00 0.00 C ATOM 1035 C SER A 65 -3.815 44.610 -0.902 1.00 0.00 C ATOM 1036 O SER A 65 -2.895 44.868 -1.664 1.00 0.00 O ATOM 1037 CB SER A 65 -5.214 42.596 -1.444 1.00 0.00 C ATOM 1038 OG SER A 65 -6.562 42.138 -1.445 1.00 0.00 O ATOM 0 H SER A 65 -5.879 44.230 -3.431 1.00 0.00 H new ATOM 0 HA SER A 65 -6.006 44.507 -0.748 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.690 42.231 -2.327 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.683 42.208 -0.575 1.00 0.00 H new ATOM 0 HG SER A 65 -6.795 41.810 -2.338 1.00 0.00 H new ATOM 1044 N THR A 66 -3.645 44.615 0.428 1.00 0.00 N ATOM 1045 CA THR A 66 -2.331 44.908 1.027 1.00 0.00 C ATOM 1046 C THR A 66 -1.774 43.612 1.671 1.00 0.00 C ATOM 1047 O THR A 66 -2.476 43.013 2.475 1.00 0.00 O ATOM 1048 CB THR A 66 -2.449 46.016 2.100 1.00 0.00 C ATOM 1049 OG1 THR A 66 -2.830 47.239 1.479 1.00 0.00 O ATOM 1050 CG2 THR A 66 -1.112 46.289 2.764 1.00 0.00 C ATOM 0 H THR A 66 -4.386 44.423 1.102 1.00 0.00 H new ATOM 0 HA THR A 66 -1.656 45.261 0.248 1.00 0.00 H new ATOM 0 HB THR A 66 -3.179 45.674 2.833 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.907 47.941 2.159 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.231 47.073 3.512 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.752 45.379 3.245 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.392 46.611 2.012 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.581 43.151 1.236 1.00 0.00 N ATOM 1059 CA LEU A 67 0.010 41.863 1.654 1.00 0.00 C ATOM 1060 C LEU A 67 1.285 42.125 2.414 1.00 0.00 C ATOM 1061 O LEU A 67 2.034 43.012 2.034 1.00 0.00 O ATOM 1062 CB LEU A 67 0.441 41.007 0.430 1.00 0.00 C ATOM 1063 CG LEU A 67 -0.706 40.250 -0.289 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -1.873 41.001 -1.037 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -0.123 39.208 -1.278 1.00 0.00 C ATOM 0 H LEU A 67 0.003 43.668 0.579 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.746 41.346 2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.933 41.658 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.183 40.280 0.760 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.214 39.854 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.560 40.271 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.410 41.634 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.457 41.618 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.938 38.683 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.490 39.716 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.490 38.491 -0.732 1.00 0.00 H new ATOM 1077 N HIS A 68 1.567 41.374 3.513 1.00 0.00 N ATOM 1078 CA HIS A 68 2.756 41.650 4.291 1.00 0.00 C ATOM 1079 C HIS A 68 3.929 40.810 3.822 1.00 0.00 C ATOM 1080 O HIS A 68 3.837 39.633 3.436 1.00 0.00 O ATOM 1081 CB HIS A 68 2.457 41.440 5.818 1.00 0.00 C ATOM 1082 CG HIS A 68 1.894 42.684 6.452 1.00 0.00 C ATOM 1083 ND1 HIS A 68 2.579 43.867 6.661 1.00 0.00 N ATOM 1084 CD2 HIS A 68 0.690 42.861 7.088 1.00 0.00 C ATOM 1085 CE1 HIS A 68 1.732 44.705 7.393 1.00 0.00 C ATOM 1086 NE2 HIS A 68 0.590 44.104 7.667 1.00 0.00 N ATOM 0 H HIS A 68 0.994 40.602 3.854 1.00 0.00 H new ATOM 0 HA HIS A 68 3.039 42.692 4.142 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.752 40.618 5.941 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.374 41.153 6.332 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.087 42.112 7.129 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.980 45.712 7.694 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.198 44.480 8.195 1.00 0.00 H new ATOM 1094 N LEU A 69 5.100 41.442 3.980 1.00 0.00 N ATOM 1095 CA LEU A 69 6.438 40.817 3.785 1.00 0.00 C ATOM 1096 C LEU A 69 7.247 40.580 5.098 1.00 0.00 C ATOM 1097 O LEU A 69 7.675 41.479 5.820 1.00 0.00 O ATOM 1098 CB LEU A 69 7.188 41.656 2.752 1.00 0.00 C ATOM 1099 CG LEU A 69 8.452 40.958 2.293 1.00 0.00 C ATOM 1100 CD1 LEU A 69 8.401 39.650 1.443 1.00 0.00 C ATOM 1101 CD2 LEU A 69 9.243 42.003 1.484 1.00 0.00 C ATOM 0 H LEU A 69 5.157 42.423 4.253 1.00 0.00 H new ATOM 0 HA LEU A 69 6.300 39.801 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.542 41.845 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.440 42.626 3.181 1.00 0.00 H new ATOM 0 HG LEU A 69 8.882 40.592 3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.416 39.319 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.879 38.873 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.873 39.843 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.170 41.558 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.645 42.334 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.474 42.857 2.120 1.00 0.00 H new ATOM 1113 N VAL A 70 7.406 39.289 5.442 1.00 0.00 N ATOM 1114 CA VAL A 70 8.327 38.850 6.500 1.00 0.00 C ATOM 1115 C VAL A 70 9.420 38.068 5.835 1.00 0.00 C ATOM 1116 O VAL A 70 9.191 37.497 4.758 1.00 0.00 O ATOM 1117 CB VAL A 70 7.625 37.997 7.650 1.00 0.00 C ATOM 1118 CG1 VAL A 70 6.758 38.895 8.555 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.788 36.803 7.129 1.00 0.00 C ATOM 0 H VAL A 70 6.900 38.525 4.994 1.00 0.00 H new ATOM 0 HA VAL A 70 8.719 39.729 7.013 1.00 0.00 H new ATOM 0 HB VAL A 70 8.443 37.570 8.231 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.291 38.288 9.330 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.384 39.657 9.019 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.985 39.376 7.956 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.344 36.274 7.972 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.998 37.171 6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.432 36.122 6.573 1.00 0.00 H new ATOM 1129 N LEU A 71 10.624 38.089 6.452 1.00 0.00 N ATOM 1130 CA LEU A 71 11.765 37.463 5.812 1.00 0.00 C ATOM 1131 C LEU A 71 12.431 36.411 6.739 1.00 0.00 C ATOM 1132 O LEU A 71 12.697 36.683 7.870 1.00 0.00 O ATOM 1133 CB LEU A 71 12.864 38.576 5.400 1.00 0.00 C ATOM 1134 CG LEU A 71 12.264 39.557 4.385 1.00 0.00 C ATOM 1135 CD1 LEU A 71 13.204 40.828 4.036 1.00 0.00 C ATOM 1136 CD2 LEU A 71 11.922 38.885 3.040 1.00 0.00 C ATOM 0 H LEU A 71 10.811 38.519 7.358 1.00 0.00 H new ATOM 0 HA LEU A 71 11.398 36.959 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.197 39.116 6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.742 38.091 4.974 1.00 0.00 H new ATOM 0 HG LEU A 71 11.366 39.905 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.699 41.466 3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.400 41.396 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.147 40.479 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.501 39.625 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.828 38.464 2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.195 38.089 3.205 1.00 0.00 H new ATOM 1148 N ARG A 72 12.741 35.261 6.199 1.00 0.00 N ATOM 1149 CA ARG A 72 13.786 34.335 6.750 1.00 0.00 C ATOM 1150 C ARG A 72 15.200 34.993 6.661 1.00 0.00 C ATOM 1151 O ARG A 72 15.568 35.825 5.790 1.00 0.00 O ATOM 1152 CB ARG A 72 13.786 32.991 5.929 1.00 0.00 C ATOM 1153 CG ARG A 72 12.370 32.404 5.624 1.00 0.00 C ATOM 1154 CD ARG A 72 11.573 31.865 6.881 1.00 0.00 C ATOM 1155 NE ARG A 72 12.258 30.682 7.445 1.00 0.00 N ATOM 1156 CZ ARG A 72 12.005 30.164 8.632 1.00 0.00 C ATOM 1157 NH1 ARG A 72 11.023 30.514 9.423 1.00 0.00 N ATOM 1158 NH2 ARG A 72 12.828 29.410 9.216 1.00 0.00 N ATOM 0 H ARG A 72 12.290 34.907 5.355 1.00 0.00 H new ATOM 0 HA ARG A 72 13.555 34.131 7.795 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.304 33.159 4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.361 32.246 6.480 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.772 33.176 5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.480 31.590 4.908 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.498 32.647 7.637 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.555 31.603 6.592 1.00 0.00 H new ATOM 0 HE ARG A 72 12.977 30.235 6.876 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.374 31.246 9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.907 30.054 10.326 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.718 29.185 8.771 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.604 29.024 10.133 1.00 0.00 H new ATOM 1172 N LEU A 73 15.997 34.550 7.669 1.00 0.00 N ATOM 1173 CA LEU A 73 17.410 34.702 7.744 1.00 0.00 C ATOM 1174 C LEU A 73 18.180 33.715 6.780 1.00 0.00 C ATOM 1175 O LEU A 73 17.738 32.618 6.466 1.00 0.00 O ATOM 1176 CB LEU A 73 17.815 34.404 9.235 1.00 0.00 C ATOM 1177 CG LEU A 73 17.533 35.500 10.301 1.00 0.00 C ATOM 1178 CD1 LEU A 73 18.438 36.774 10.107 1.00 0.00 C ATOM 1179 CD2 LEU A 73 16.104 35.924 10.441 1.00 0.00 C ATOM 0 H LEU A 73 15.616 34.056 8.476 1.00 0.00 H new ATOM 0 HA LEU A 73 17.682 35.710 7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.299 33.495 9.546 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.883 34.187 9.254 1.00 0.00 H new ATOM 0 HG LEU A 73 17.791 34.996 11.232 1.00 0.00 H new ATOM 0 HD11 LEU A 73 18.202 37.509 10.877 1.00 0.00 H new ATOM 0 HD12 LEU A 73 19.487 36.490 10.186 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.252 37.206 9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.026 36.691 11.212 1.00 0.00 H new ATOM 0 HD22 LEU A 73 15.749 36.326 9.492 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.495 35.064 10.722 1.00 0.00 H new ATOM 1191 N ARG A 74 19.349 34.153 6.345 1.00 0.00 N ATOM 1192 CA ARG A 74 20.285 33.210 5.684 1.00 0.00 C ATOM 1193 C ARG A 74 21.019 32.393 6.745 1.00 0.00 C ATOM 1194 O ARG A 74 20.925 32.658 7.954 1.00 0.00 O ATOM 1195 CB ARG A 74 21.314 33.938 4.780 1.00 0.00 C ATOM 1196 CG ARG A 74 20.666 34.787 3.656 1.00 0.00 C ATOM 1197 CD ARG A 74 20.269 33.955 2.423 1.00 0.00 C ATOM 1198 NE ARG A 74 19.654 34.854 1.358 1.00 0.00 N ATOM 1199 CZ ARG A 74 18.943 34.300 0.337 1.00 0.00 C ATOM 1200 NH1 ARG A 74 19.084 33.070 -0.032 1.00 0.00 N ATOM 1201 NH2 ARG A 74 18.133 35.029 -0.406 1.00 0.00 N ATOM 0 H ARG A 74 19.680 35.115 6.424 1.00 0.00 H new ATOM 0 HA ARG A 74 19.695 32.555 5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 74 21.935 34.585 5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 74 21.975 33.198 4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 74 19.781 35.286 4.050 1.00 0.00 H new ATOM 0 HG3 ARG A 74 21.363 35.568 3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 74 21.146 33.448 2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 74 19.558 33.181 2.711 1.00 0.00 H new ATOM 0 HE ARG A 74 19.774 35.866 1.409 1.00 0.00 H new ATOM 0 HH11 ARG A 74 19.752 32.467 0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 74 18.527 32.702 -0.803 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.030 36.027 -0.221 1.00 0.00 H new ATOM 0 HH22 ARG A 74 17.609 34.595 -1.166 1.00 0.00 H new ATOM 1215 N GLY A 75 21.724 31.346 6.248 1.00 0.00 N ATOM 1216 CA GLY A 75 22.533 30.441 7.040 1.00 0.00 C ATOM 1217 C GLY A 75 23.629 31.187 7.737 1.00 0.00 C ATOM 1218 O GLY A 75 24.194 32.082 7.111 1.00 0.00 O ATOM 0 H GLY A 75 21.733 31.118 5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 75 21.907 29.933 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 75 22.961 29.671 6.398 1.00 0.00 H new ATOM 1222 N GLY A 76 23.933 30.889 9.052 1.00 0.00 N ATOM 1223 CA GLY A 76 24.956 31.496 9.841 1.00 0.00 C ATOM 1224 C GLY A 76 25.004 30.805 11.247 1.00 0.00 C ATOM 1225 O GLY A 76 25.940 31.093 11.957 1.00 0.00 O ATOM 1226 OXT GLY A 76 24.120 29.992 11.569 1.00 0.00 O ATOM 0 H GLY A 76 23.418 30.178 9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 76 25.921 31.400 9.343 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.760 32.562 9.954 1.00 0.00 H new TER 1230 GLY A 76