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 55 THR OG1 : rot 180:sc= 0.00727 USER MOD Set 1.2: A 57 SER OG : rot -91:sc= 0.725 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 166:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot -160:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.277 (180deg=-0.35) USER MOD Single : A 1 MET N :NH3+ 154:sc= 2.42 (180deg=1.62) USER MOD Single : A 2 GLN : amide:sc= 1.17 K(o=1.2,f=-0.046) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.283 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.16) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 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= 0.932 K(o=0.93,f=-5!) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 2.26 (180deg=1.89) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0274 K(o=-0.027,f=-0.58) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 41 GLN : amide:sc= 0.838 K(o=0.84,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.072 K(o=-0.072,f=-2.3!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0.639 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 82:sc= 0.521 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.0027) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.636 44.043 -11.932 1.00 0.00 N ATOM 2 CA MET A 1 -5.171 44.867 -10.784 1.00 0.00 C ATOM 3 C MET A 1 -4.125 45.110 -9.677 1.00 0.00 C ATOM 4 O MET A 1 -3.084 44.451 -9.721 1.00 0.00 O ATOM 5 CB MET A 1 -6.461 44.221 -10.195 1.00 0.00 C ATOM 6 CG MET A 1 -6.331 43.170 -9.076 1.00 0.00 C ATOM 7 SD MET A 1 -5.322 41.750 -9.517 1.00 0.00 S ATOM 8 CE MET A 1 -5.560 40.880 -7.931 1.00 0.00 C ATOM 0 H1 MET A 1 -5.422 43.548 -12.400 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.164 44.667 -12.617 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.954 43.346 -11.571 1.00 0.00 H new ATOM 0 HA MET A 1 -5.420 45.846 -11.194 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.089 45.028 -9.816 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.002 43.757 -11.020 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.904 43.646 -8.193 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.327 42.823 -8.801 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.335 39.821 -8.060 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.893 41.304 -7.180 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.594 40.995 -7.605 1.00 0.00 H new ATOM 18 N GLN A 2 -4.336 46.170 -8.819 1.00 0.00 N ATOM 19 CA GLN A 2 -3.339 46.591 -7.812 1.00 0.00 C ATOM 20 C GLN A 2 -3.332 45.713 -6.511 1.00 0.00 C ATOM 21 O GLN A 2 -4.353 45.407 -5.893 1.00 0.00 O ATOM 22 CB GLN A 2 -3.485 48.142 -7.509 1.00 0.00 C ATOM 23 CG GLN A 2 -3.326 48.983 -8.803 1.00 0.00 C ATOM 24 CD GLN A 2 -1.850 49.220 -9.132 1.00 0.00 C ATOM 25 OE1 GLN A 2 -1.236 50.059 -8.423 1.00 0.00 O ATOM 26 NE2 GLN A 2 -1.260 48.594 -10.170 1.00 0.00 N ATOM 0 H GLN A 2 -5.187 46.732 -8.819 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.355 46.419 -8.249 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.460 48.338 -7.062 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.733 48.445 -6.780 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.809 48.470 -9.635 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.833 49.941 -8.682 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.787 47.919 -10.725 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.287 48.795 -10.401 1.00 0.00 H new ATOM 35 N ILE A 3 -2.154 45.389 -5.989 1.00 0.00 N ATOM 36 CA ILE A 3 -2.062 44.853 -4.619 1.00 0.00 C ATOM 37 C ILE A 3 -0.959 45.558 -3.876 1.00 0.00 C ATOM 38 O ILE A 3 0.081 45.878 -4.428 1.00 0.00 O ATOM 39 CB ILE A 3 -1.774 43.329 -4.550 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.419 42.941 -5.255 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.019 42.457 -4.951 1.00 0.00 C ATOM 42 CD1 ILE A 3 0.046 41.452 -4.966 1.00 0.00 C ATOM 0 H ILE A 3 -1.262 45.482 -6.475 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.041 45.024 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.609 43.076 -3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.528 43.076 -6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.361 43.627 -4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.760 41.400 -4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.846 42.671 -4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.316 42.694 -5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.985 41.257 -5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.188 41.317 -3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.715 40.758 -5.322 1.00 0.00 H new ATOM 54 N PHE A 4 -1.179 45.844 -2.542 1.00 0.00 N ATOM 55 CA PHE A 4 -0.290 46.659 -1.698 1.00 0.00 C ATOM 56 C PHE A 4 0.587 45.744 -0.895 1.00 0.00 C ATOM 57 O PHE A 4 0.079 45.069 -0.011 1.00 0.00 O ATOM 58 CB PHE A 4 -1.027 47.612 -0.663 1.00 0.00 C ATOM 59 CG PHE A 4 -2.201 48.356 -1.370 1.00 0.00 C ATOM 60 CD1 PHE A 4 -1.980 49.098 -2.503 1.00 0.00 C ATOM 61 CD2 PHE A 4 -3.366 48.606 -0.619 1.00 0.00 C ATOM 62 CE1 PHE A 4 -2.881 50.084 -2.949 1.00 0.00 C ATOM 63 CE2 PHE A 4 -4.317 49.593 -1.112 1.00 0.00 C ATOM 64 CZ PHE A 4 -4.005 50.395 -2.178 1.00 0.00 C ATOM 0 H PHE A 4 -1.996 45.499 -2.039 1.00 0.00 H new ATOM 0 HA PHE A 4 0.257 47.297 -2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.407 47.028 0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.321 48.335 -0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.081 48.919 -3.074 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.551 48.076 0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.705 50.598 -3.882 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.279 49.694 -0.632 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.616 51.252 -2.418 1.00 0.00 H new ATOM 74 N VAL A 5 1.911 45.774 -1.135 1.00 0.00 N ATOM 75 CA VAL A 5 2.833 45.058 -0.269 1.00 0.00 C ATOM 76 C VAL A 5 3.465 45.944 0.834 1.00 0.00 C ATOM 77 O VAL A 5 3.993 47.000 0.566 1.00 0.00 O ATOM 78 CB VAL A 5 3.937 44.407 -1.135 1.00 0.00 C ATOM 79 CG1 VAL A 5 4.878 43.490 -0.305 1.00 0.00 C ATOM 80 CG2 VAL A 5 3.273 43.559 -2.284 1.00 0.00 C ATOM 0 H VAL A 5 2.348 46.278 -1.907 1.00 0.00 H new ATOM 0 HA VAL A 5 2.256 44.297 0.256 1.00 0.00 H new ATOM 0 HB VAL A 5 4.541 45.214 -1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.635 43.058 -0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.364 44.077 0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.296 42.691 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.051 43.100 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.648 42.780 -1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.659 44.209 -2.908 1.00 0.00 H new ATOM 90 N LYS A 6 3.479 45.429 2.094 1.00 0.00 N ATOM 91 CA LYS A 6 3.999 46.178 3.277 1.00 0.00 C ATOM 92 C LYS A 6 5.396 45.545 3.639 1.00 0.00 C ATOM 93 O LYS A 6 5.546 44.356 3.912 1.00 0.00 O ATOM 94 CB LYS A 6 2.949 46.088 4.455 1.00 0.00 C ATOM 95 CG LYS A 6 1.505 46.536 4.044 1.00 0.00 C ATOM 96 CD LYS A 6 1.605 47.971 3.451 1.00 0.00 C ATOM 97 CE LYS A 6 2.164 48.991 4.490 1.00 0.00 C ATOM 98 NZ LYS A 6 1.672 50.321 4.111 1.00 0.00 N ATOM 0 H LYS A 6 3.135 44.495 2.319 1.00 0.00 H new ATOM 0 HA LYS A 6 4.138 47.240 3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.912 45.062 4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.291 46.708 5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.085 45.848 3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.841 46.525 4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.250 47.957 2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.619 48.296 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.834 48.733 5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.254 48.973 4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.821 50.984 4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.189 50.657 3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.657 50.266 3.893 1.00 0.00 H new ATOM 112 N THR A 7 6.486 46.326 3.649 1.00 0.00 N ATOM 113 CA THR A 7 7.733 45.874 4.350 1.00 0.00 C ATOM 114 C THR A 7 7.547 45.911 5.874 1.00 0.00 C ATOM 115 O THR A 7 6.549 46.444 6.360 1.00 0.00 O ATOM 116 CB THR A 7 9.039 46.643 3.999 1.00 0.00 C ATOM 117 OG1 THR A 7 9.290 47.877 4.682 1.00 0.00 O ATOM 118 CG2 THR A 7 9.129 46.886 2.455 1.00 0.00 C ATOM 0 H THR A 7 6.548 47.241 3.203 1.00 0.00 H new ATOM 0 HA THR A 7 7.873 44.859 3.979 1.00 0.00 H new ATOM 0 HB THR A 7 9.818 45.973 4.363 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.139 48.255 4.372 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.048 47.425 2.224 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.130 45.928 1.935 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.272 47.475 2.129 1.00 0.00 H new ATOM 126 N LEU A 8 8.541 45.267 6.568 1.00 0.00 N ATOM 127 CA LEU A 8 8.532 45.003 8.028 1.00 0.00 C ATOM 128 C LEU A 8 8.544 46.370 8.744 1.00 0.00 C ATOM 129 O LEU A 8 7.860 46.582 9.769 1.00 0.00 O ATOM 130 CB LEU A 8 9.756 44.073 8.368 1.00 0.00 C ATOM 131 CG LEU A 8 9.873 43.600 9.877 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.565 42.927 10.412 1.00 0.00 C ATOM 133 CD2 LEU A 8 11.034 42.548 9.946 1.00 0.00 C ATOM 0 H LEU A 8 9.381 44.915 6.110 1.00 0.00 H new ATOM 0 HA LEU A 8 7.644 44.472 8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.701 43.188 7.734 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.672 44.600 8.101 1.00 0.00 H new ATOM 0 HG LEU A 8 10.058 44.478 10.496 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.709 42.626 11.450 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.740 43.637 10.351 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.334 42.050 9.808 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.147 42.197 10.972 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.799 41.704 9.297 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.964 43.011 9.617 1.00 0.00 H new ATOM 145 N THR A 9 9.272 47.348 8.176 1.00 0.00 N ATOM 146 CA THR A 9 9.349 48.740 8.765 1.00 0.00 C ATOM 147 C THR A 9 8.457 49.832 8.101 1.00 0.00 C ATOM 148 O THR A 9 8.473 50.963 8.513 1.00 0.00 O ATOM 149 CB THR A 9 10.819 49.248 8.917 1.00 0.00 C ATOM 150 OG1 THR A 9 11.539 49.307 7.686 1.00 0.00 O ATOM 151 CG2 THR A 9 11.596 48.334 9.902 1.00 0.00 C ATOM 0 H THR A 9 9.816 47.225 7.322 1.00 0.00 H new ATOM 0 HA THR A 9 8.912 48.594 9.753 1.00 0.00 H new ATOM 0 HB THR A 9 10.744 50.267 9.297 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.448 49.634 7.854 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.620 48.695 10.003 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.108 48.351 10.876 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.607 47.313 9.520 1.00 0.00 H new ATOM 159 N GLY A 10 7.579 49.375 7.282 1.00 0.00 N ATOM 160 CA GLY A 10 6.385 50.146 6.892 1.00 0.00 C ATOM 161 C GLY A 10 6.425 50.674 5.494 1.00 0.00 C ATOM 162 O GLY A 10 5.582 51.536 5.185 1.00 0.00 O ATOM 0 H GLY A 10 7.641 48.455 6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.505 49.513 7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.266 50.982 7.581 1.00 0.00 H new ATOM 166 N LYS A 11 7.385 50.289 4.605 1.00 0.00 N ATOM 167 CA LYS A 11 7.366 50.834 3.263 1.00 0.00 C ATOM 168 C LYS A 11 6.259 50.108 2.476 1.00 0.00 C ATOM 169 O LYS A 11 6.268 48.879 2.553 1.00 0.00 O ATOM 170 CB LYS A 11 8.816 50.852 2.673 1.00 0.00 C ATOM 171 CG LYS A 11 8.994 50.875 1.068 1.00 0.00 C ATOM 172 CD LYS A 11 10.496 50.989 0.699 1.00 0.00 C ATOM 173 CE LYS A 11 10.737 50.400 -0.717 1.00 0.00 C ATOM 174 NZ LYS A 11 12.101 50.760 -1.133 1.00 0.00 N ATOM 0 H LYS A 11 8.140 49.632 4.803 1.00 0.00 H new ATOM 0 HA LYS A 11 7.088 51.887 3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.327 51.726 3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.339 49.974 3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.573 49.968 0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.443 51.715 0.645 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.808 52.033 0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.101 50.456 1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.616 49.317 -0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.007 50.795 -1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.312 50.319 -2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.176 51.794 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.781 50.422 -0.423 1.00 0.00 H new ATOM 188 N THR A 12 5.472 50.871 1.698 1.00 0.00 N ATOM 189 CA THR A 12 4.496 50.277 0.778 1.00 0.00 C ATOM 190 C THR A 12 5.191 50.101 -0.561 1.00 0.00 C ATOM 191 O THR A 12 5.855 50.986 -1.073 1.00 0.00 O ATOM 192 CB THR A 12 3.224 51.098 0.641 1.00 0.00 C ATOM 193 OG1 THR A 12 2.761 51.515 1.949 1.00 0.00 O ATOM 194 CG2 THR A 12 2.130 50.127 0.131 1.00 0.00 C ATOM 0 H THR A 12 5.494 51.891 1.690 1.00 0.00 H new ATOM 0 HA THR A 12 4.165 49.318 1.177 1.00 0.00 H new ATOM 0 HB THR A 12 3.408 51.955 -0.006 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.812 51.755 1.899 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.190 50.667 0.014 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.432 49.711 -0.830 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.997 49.319 0.850 1.00 0.00 H new ATOM 202 N ILE A 13 5.124 48.891 -1.072 1.00 0.00 N ATOM 203 CA ILE A 13 5.635 48.591 -2.421 1.00 0.00 C ATOM 204 C ILE A 13 4.369 48.065 -3.170 1.00 0.00 C ATOM 205 O ILE A 13 3.687 47.177 -2.664 1.00 0.00 O ATOM 206 CB ILE A 13 6.724 47.531 -2.426 1.00 0.00 C ATOM 207 CG1 ILE A 13 7.922 48.045 -1.568 1.00 0.00 C ATOM 208 CG2 ILE A 13 7.207 47.076 -3.892 1.00 0.00 C ATOM 209 CD1 ILE A 13 8.793 46.819 -1.107 1.00 0.00 C ATOM 0 H ILE A 13 4.723 48.089 -0.585 1.00 0.00 H new ATOM 0 HA ILE A 13 6.099 49.466 -2.877 1.00 0.00 H new ATOM 0 HB ILE A 13 6.297 46.627 -1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.529 48.739 -2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.555 48.592 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.985 46.318 -3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.361 46.663 -4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.603 47.938 -4.429 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.631 47.173 -0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.181 46.142 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.171 46.291 -1.983 1.00 0.00 H new ATOM 221 N THR A 14 4.051 48.643 -4.339 1.00 0.00 N ATOM 222 CA THR A 14 2.807 48.476 -5.091 1.00 0.00 C ATOM 223 C THR A 14 3.112 47.897 -6.439 1.00 0.00 C ATOM 224 O THR A 14 3.947 48.442 -7.204 1.00 0.00 O ATOM 225 CB THR A 14 2.093 49.846 -5.359 1.00 0.00 C ATOM 226 OG1 THR A 14 2.081 50.717 -4.256 1.00 0.00 O ATOM 227 CG2 THR A 14 0.643 49.466 -5.777 1.00 0.00 C ATOM 0 H THR A 14 4.698 49.277 -4.809 1.00 0.00 H new ATOM 0 HA THR A 14 2.164 47.830 -4.493 1.00 0.00 H new ATOM 0 HB THR A 14 2.634 50.402 -6.125 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.622 51.548 -4.500 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.074 50.373 -5.983 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.673 48.845 -6.672 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.164 48.913 -4.969 1.00 0.00 H new ATOM 235 N LEU A 15 2.428 46.759 -6.647 1.00 0.00 N ATOM 236 CA LEU A 15 2.539 46.000 -7.859 1.00 0.00 C ATOM 237 C LEU A 15 1.186 45.932 -8.619 1.00 0.00 C ATOM 238 O LEU A 15 0.084 46.005 -8.089 1.00 0.00 O ATOM 239 CB LEU A 15 2.977 44.527 -7.549 1.00 0.00 C ATOM 240 CG LEU A 15 4.143 44.444 -6.516 1.00 0.00 C ATOM 241 CD1 LEU A 15 4.265 42.959 -6.141 1.00 0.00 C ATOM 242 CD2 LEU A 15 5.535 44.914 -7.134 1.00 0.00 C ATOM 0 H LEU A 15 1.786 46.356 -5.964 1.00 0.00 H new ATOM 0 HA LEU A 15 3.283 46.505 -8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.120 43.971 -7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.284 44.042 -8.476 1.00 0.00 H new ATOM 0 HG LEU A 15 3.927 45.094 -5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.069 42.832 -5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.326 42.615 -5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.486 42.375 -7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.314 44.838 -6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.790 44.278 -7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.454 45.948 -7.468 1.00 0.00 H new ATOM 254 N GLU A 16 1.298 45.686 -9.939 1.00 0.00 N ATOM 255 CA GLU A 16 0.244 45.423 -10.889 1.00 0.00 C ATOM 256 C GLU A 16 0.400 43.955 -11.225 1.00 0.00 C ATOM 257 O GLU A 16 1.394 43.560 -11.822 1.00 0.00 O ATOM 258 CB GLU A 16 0.498 46.283 -12.215 1.00 0.00 C ATOM 259 CG GLU A 16 -0.545 46.007 -13.332 1.00 0.00 C ATOM 260 CD GLU A 16 -1.980 46.270 -12.931 1.00 0.00 C ATOM 261 OE1 GLU A 16 -2.820 45.468 -13.305 1.00 0.00 O ATOM 262 OE2 GLU A 16 -2.290 47.260 -12.321 1.00 0.00 O ATOM 0 H GLU A 16 2.214 45.669 -10.388 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.743 45.672 -10.499 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.478 47.343 -11.962 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.496 46.065 -12.596 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.304 46.625 -14.197 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.454 44.968 -13.647 1.00 0.00 H new ATOM 269 N VAL A 17 -0.613 43.146 -10.877 1.00 0.00 N ATOM 270 CA VAL A 17 -0.569 41.701 -11.031 1.00 0.00 C ATOM 271 C VAL A 17 -1.930 41.321 -11.700 1.00 0.00 C ATOM 272 O VAL A 17 -2.710 42.186 -12.068 1.00 0.00 O ATOM 273 CB VAL A 17 -0.407 41.047 -9.619 1.00 0.00 C ATOM 274 CG1 VAL A 17 0.797 41.660 -8.894 1.00 0.00 C ATOM 275 CG2 VAL A 17 -1.669 41.224 -8.703 1.00 0.00 C ATOM 0 H VAL A 17 -1.488 43.488 -10.479 1.00 0.00 H new ATOM 0 HA VAL A 17 0.266 41.352 -11.639 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.267 39.981 -9.795 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.903 41.200 -7.912 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.701 41.484 -9.477 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.644 42.733 -8.777 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.489 40.747 -7.740 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.863 42.286 -8.552 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.533 40.762 -9.181 1.00 0.00 H new ATOM 285 N GLU A 18 -2.309 40.026 -11.851 1.00 0.00 N ATOM 286 CA GLU A 18 -3.657 39.581 -12.223 1.00 0.00 C ATOM 287 C GLU A 18 -3.920 38.263 -11.412 1.00 0.00 C ATOM 288 O GLU A 18 -2.963 37.634 -10.936 1.00 0.00 O ATOM 289 CB GLU A 18 -3.881 39.302 -13.734 1.00 0.00 C ATOM 290 CG GLU A 18 -3.047 38.099 -14.266 1.00 0.00 C ATOM 291 CD GLU A 18 -3.274 37.850 -15.791 1.00 0.00 C ATOM 292 OE1 GLU A 18 -2.242 37.679 -16.438 1.00 0.00 O ATOM 293 OE2 GLU A 18 -4.404 37.635 -16.266 1.00 0.00 O ATOM 0 H GLU A 18 -1.661 39.250 -11.712 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.346 40.394 -11.993 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.939 39.107 -13.908 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.623 40.195 -14.304 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.988 38.285 -14.084 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.313 37.200 -13.710 1.00 0.00 H new ATOM 300 N PRO A 19 -5.145 37.864 -11.171 1.00 0.00 N ATOM 301 CA PRO A 19 -5.403 36.749 -10.182 1.00 0.00 C ATOM 302 C PRO A 19 -4.955 35.368 -10.659 1.00 0.00 C ATOM 303 O PRO A 19 -4.972 34.442 -9.850 1.00 0.00 O ATOM 304 CB PRO A 19 -6.933 36.860 -9.923 1.00 0.00 C ATOM 305 CG PRO A 19 -7.346 38.244 -10.311 1.00 0.00 C ATOM 306 CD PRO A 19 -6.408 38.603 -11.500 1.00 0.00 C ATOM 0 HA PRO A 19 -4.812 36.857 -9.273 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.477 36.118 -10.507 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.161 36.670 -8.874 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.395 38.279 -10.606 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.225 38.943 -9.483 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.826 38.282 -12.454 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.240 39.678 -11.571 1.00 0.00 H new ATOM 314 N SER A 20 -4.538 35.256 -11.950 1.00 0.00 N ATOM 315 CA SER A 20 -3.992 34.036 -12.575 1.00 0.00 C ATOM 316 C SER A 20 -2.480 33.960 -12.480 1.00 0.00 C ATOM 317 O SER A 20 -1.872 32.939 -12.854 1.00 0.00 O ATOM 318 CB SER A 20 -4.217 34.035 -14.093 1.00 0.00 C ATOM 319 OG SER A 20 -5.573 34.016 -14.463 1.00 0.00 O ATOM 0 H SER A 20 -4.577 36.042 -12.599 1.00 0.00 H new ATOM 0 HA SER A 20 -4.494 33.224 -12.049 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.745 34.919 -14.522 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.719 33.167 -14.525 1.00 0.00 H new ATOM 0 HG SER A 20 -5.645 34.018 -15.440 1.00 0.00 H new ATOM 325 N ASP A 21 -1.903 34.994 -11.835 1.00 0.00 N ATOM 326 CA ASP A 21 -0.543 34.939 -11.356 1.00 0.00 C ATOM 327 C ASP A 21 -0.432 34.045 -10.091 1.00 0.00 C ATOM 328 O ASP A 21 -1.408 33.857 -9.335 1.00 0.00 O ATOM 329 CB ASP A 21 0.006 36.414 -11.014 1.00 0.00 C ATOM 330 CG ASP A 21 -0.058 37.324 -12.208 1.00 0.00 C ATOM 331 OD1 ASP A 21 -0.020 36.748 -13.303 1.00 0.00 O ATOM 332 OD2 ASP A 21 -0.028 38.577 -11.991 1.00 0.00 O ATOM 0 H ASP A 21 -2.378 35.876 -11.642 1.00 0.00 H new ATOM 0 HA ASP A 21 0.064 34.506 -12.151 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.580 36.840 -10.200 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.036 36.346 -10.663 1.00 0.00 H new ATOM 337 N THR A 22 0.759 33.418 -9.900 1.00 0.00 N ATOM 338 CA THR A 22 1.049 32.543 -8.735 1.00 0.00 C ATOM 339 C THR A 22 1.920 33.351 -7.745 1.00 0.00 C ATOM 340 O THR A 22 2.472 34.416 -8.115 1.00 0.00 O ATOM 341 CB THR A 22 1.684 31.186 -9.091 1.00 0.00 C ATOM 342 OG1 THR A 22 3.087 31.213 -9.345 1.00 0.00 O ATOM 343 CG2 THR A 22 1.030 30.516 -10.309 1.00 0.00 C ATOM 0 H THR A 22 1.542 33.505 -10.548 1.00 0.00 H new ATOM 0 HA THR A 22 0.100 32.263 -8.279 1.00 0.00 H new ATOM 0 HB THR A 22 1.505 30.615 -8.180 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.398 30.309 -9.560 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.522 29.564 -10.509 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.027 30.343 -10.105 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.130 31.165 -11.179 1.00 0.00 H new ATOM 351 N ILE A 23 2.147 32.814 -6.525 1.00 0.00 N ATOM 352 CA ILE A 23 2.996 33.461 -5.612 1.00 0.00 C ATOM 353 C ILE A 23 4.491 33.537 -6.053 1.00 0.00 C ATOM 354 O ILE A 23 5.111 34.550 -5.722 1.00 0.00 O ATOM 355 CB ILE A 23 2.871 32.826 -4.215 1.00 0.00 C ATOM 356 CG1 ILE A 23 1.467 32.239 -3.885 1.00 0.00 C ATOM 357 CG2 ILE A 23 3.233 33.963 -3.266 1.00 0.00 C ATOM 358 CD1 ILE A 23 0.268 33.252 -3.826 1.00 0.00 C ATOM 0 H ILE A 23 1.739 31.941 -6.191 1.00 0.00 H new ATOM 0 HA ILE A 23 2.654 34.496 -5.580 1.00 0.00 H new ATOM 0 HB ILE A 23 3.521 31.955 -4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.233 31.480 -4.631 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.530 31.731 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.174 33.610 -2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.247 34.303 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.537 34.790 -3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.650 32.715 -3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.461 34.000 -3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.160 33.745 -4.792 1.00 0.00 H new ATOM 370 N GLU A 24 5.021 32.521 -6.781 1.00 0.00 N ATOM 371 CA GLU A 24 6.368 32.599 -7.438 1.00 0.00 C ATOM 372 C GLU A 24 6.493 33.846 -8.334 1.00 0.00 C ATOM 373 O GLU A 24 7.571 34.473 -8.307 1.00 0.00 O ATOM 374 CB GLU A 24 6.663 31.322 -8.267 1.00 0.00 C ATOM 375 CG GLU A 24 7.172 30.131 -7.439 1.00 0.00 C ATOM 376 CD GLU A 24 8.604 30.235 -6.815 1.00 0.00 C ATOM 377 OE1 GLU A 24 9.558 30.373 -7.588 1.00 0.00 O ATOM 378 OE2 GLU A 24 8.749 30.112 -5.592 1.00 0.00 O ATOM 0 H GLU A 24 4.542 31.634 -6.933 1.00 0.00 H new ATOM 0 HA GLU A 24 7.105 32.677 -6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.753 31.024 -8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.404 31.562 -9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.465 29.961 -6.627 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.147 29.246 -8.075 1.00 0.00 H new ATOM 385 N ASN A 25 5.421 34.187 -9.077 1.00 0.00 N ATOM 386 CA ASN A 25 5.368 35.503 -9.783 1.00 0.00 C ATOM 387 C ASN A 25 5.341 36.712 -8.855 1.00 0.00 C ATOM 388 O ASN A 25 5.857 37.732 -9.262 1.00 0.00 O ATOM 389 CB ASN A 25 4.287 35.702 -10.808 1.00 0.00 C ATOM 390 CG ASN A 25 4.067 34.438 -11.571 1.00 0.00 C ATOM 391 OD1 ASN A 25 2.933 33.924 -11.465 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.097 33.858 -12.253 1.00 0.00 N ATOM 0 H ASN A 25 4.599 33.597 -9.208 1.00 0.00 H new ATOM 0 HA ASN A 25 6.314 35.442 -10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.362 36.006 -10.318 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.565 36.505 -11.491 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.962 32.956 -12.711 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.002 34.326 -12.305 1.00 0.00 H new ATOM 399 N VAL A 26 4.779 36.647 -7.643 1.00 0.00 N ATOM 400 CA VAL A 26 4.704 37.859 -6.763 1.00 0.00 C ATOM 401 C VAL A 26 6.096 38.064 -6.165 1.00 0.00 C ATOM 402 O VAL A 26 6.590 39.178 -6.140 1.00 0.00 O ATOM 403 CB VAL A 26 3.536 37.840 -5.711 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.480 39.154 -4.864 1.00 0.00 C ATOM 405 CG2 VAL A 26 2.192 37.769 -6.502 1.00 0.00 C ATOM 0 H VAL A 26 4.375 35.801 -7.241 1.00 0.00 H new ATOM 0 HA VAL A 26 4.429 38.727 -7.362 1.00 0.00 H new ATOM 0 HB VAL A 26 3.697 36.993 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.657 39.093 -4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.419 39.279 -4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.325 40.007 -5.525 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.358 37.754 -5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.105 38.640 -7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.173 36.863 -7.107 1.00 0.00 H new ATOM 415 N LYS A 27 6.879 37.001 -5.874 1.00 0.00 N ATOM 416 CA LYS A 27 8.293 37.225 -5.418 1.00 0.00 C ATOM 417 C LYS A 27 9.151 37.910 -6.536 1.00 0.00 C ATOM 418 O LYS A 27 9.964 38.822 -6.311 1.00 0.00 O ATOM 419 CB LYS A 27 8.950 35.839 -5.056 1.00 0.00 C ATOM 420 CG LYS A 27 8.086 35.096 -3.941 1.00 0.00 C ATOM 421 CD LYS A 27 8.619 33.624 -3.832 1.00 0.00 C ATOM 422 CE LYS A 27 7.677 32.640 -3.082 1.00 0.00 C ATOM 423 NZ LYS A 27 8.292 31.217 -3.110 1.00 0.00 N ATOM 0 H LYS A 27 6.589 36.025 -5.937 1.00 0.00 H new ATOM 0 HA LYS A 27 8.267 37.879 -4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.019 35.217 -5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.967 35.993 -4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.176 35.608 -2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.029 35.102 -4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.794 33.241 -4.837 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.583 33.639 -3.324 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.537 32.967 -2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.693 32.632 -3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.747 30.591 -2.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.264 30.846 -4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.279 31.259 -2.784 1.00 0.00 H new ATOM 437 N ALA A 28 8.939 37.467 -7.777 1.00 0.00 N ATOM 438 CA ALA A 28 9.626 37.958 -8.972 1.00 0.00 C ATOM 439 C ALA A 28 9.250 39.388 -9.332 1.00 0.00 C ATOM 440 O ALA A 28 10.127 40.126 -9.728 1.00 0.00 O ATOM 441 CB ALA A 28 9.124 37.071 -10.133 1.00 0.00 C ATOM 0 H ALA A 28 8.262 36.733 -7.984 1.00 0.00 H new ATOM 0 HA ALA A 28 10.701 37.927 -8.795 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.600 37.384 -11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.375 36.030 -9.930 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.043 37.172 -10.227 1.00 0.00 H new ATOM 447 N LYS A 29 7.943 39.764 -9.263 1.00 0.00 N ATOM 448 CA LYS A 29 7.502 41.160 -9.431 1.00 0.00 C ATOM 449 C LYS A 29 8.058 42.087 -8.342 1.00 0.00 C ATOM 450 O LYS A 29 8.391 43.231 -8.658 1.00 0.00 O ATOM 451 CB LYS A 29 5.898 41.163 -9.391 1.00 0.00 C ATOM 452 CG LYS A 29 5.349 40.467 -10.653 1.00 0.00 C ATOM 453 CD LYS A 29 3.809 40.442 -10.510 1.00 0.00 C ATOM 454 CE LYS A 29 3.033 39.511 -11.504 1.00 0.00 C ATOM 455 NZ LYS A 29 3.421 39.758 -12.953 1.00 0.00 N ATOM 0 H LYS A 29 7.180 39.109 -9.091 1.00 0.00 H new ATOM 0 HA LYS A 29 7.880 41.542 -10.380 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.545 40.649 -8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.527 42.187 -9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.646 41.006 -11.553 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.746 39.456 -10.742 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.565 40.135 -9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.438 41.459 -10.634 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.230 38.469 -11.251 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.961 39.671 -11.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.881 39.119 -13.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.209 40.744 -13.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.438 39.580 -13.075 1.00 0.00 H new ATOM 469 N ILE A 30 8.178 41.623 -7.064 1.00 0.00 N ATOM 470 CA ILE A 30 8.775 42.424 -5.976 1.00 0.00 C ATOM 471 C ILE A 30 10.288 42.539 -6.263 1.00 0.00 C ATOM 472 O ILE A 30 10.809 43.604 -6.145 1.00 0.00 O ATOM 473 CB ILE A 30 8.599 41.725 -4.586 1.00 0.00 C ATOM 474 CG1 ILE A 30 7.110 41.807 -4.180 1.00 0.00 C ATOM 475 CG2 ILE A 30 9.438 42.432 -3.476 1.00 0.00 C ATOM 476 CD1 ILE A 30 6.621 40.883 -3.048 1.00 0.00 C ATOM 0 H ILE A 30 7.866 40.697 -6.772 1.00 0.00 H new ATOM 0 HA ILE A 30 8.283 43.396 -5.939 1.00 0.00 H new ATOM 0 HB ILE A 30 8.938 40.693 -4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.899 42.836 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.510 41.598 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.290 41.919 -2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.494 42.403 -3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.116 43.469 -3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.558 41.052 -2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.781 39.843 -3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.177 41.100 -2.136 1.00 0.00 H new ATOM 488 N GLN A 31 10.974 41.490 -6.662 1.00 0.00 N ATOM 489 CA GLN A 31 12.390 41.607 -7.148 1.00 0.00 C ATOM 490 C GLN A 31 12.541 42.598 -8.351 1.00 0.00 C ATOM 491 O GLN A 31 13.443 43.444 -8.384 1.00 0.00 O ATOM 492 CB GLN A 31 12.743 40.171 -7.528 1.00 0.00 C ATOM 493 CG GLN A 31 14.076 39.872 -8.341 1.00 0.00 C ATOM 494 CD GLN A 31 15.285 40.671 -7.827 1.00 0.00 C ATOM 495 OE1 GLN A 31 15.553 41.681 -8.466 1.00 0.00 O ATOM 496 NE2 GLN A 31 15.997 40.264 -6.760 1.00 0.00 N ATOM 0 H GLN A 31 10.604 40.539 -6.671 1.00 0.00 H new ATOM 0 HA GLN A 31 13.058 42.026 -6.395 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.789 39.593 -6.605 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.911 39.776 -8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.300 38.807 -8.282 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.914 40.106 -9.393 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.730 39.414 -6.263 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.803 40.805 -6.448 1.00 0.00 H new ATOM 505 N ASP A 32 11.625 42.541 -9.310 1.00 0.00 N ATOM 506 CA ASP A 32 11.652 43.453 -10.498 1.00 0.00 C ATOM 507 C ASP A 32 11.567 44.945 -10.128 1.00 0.00 C ATOM 508 O ASP A 32 12.401 45.696 -10.541 1.00 0.00 O ATOM 509 CB ASP A 32 10.668 42.930 -11.587 1.00 0.00 C ATOM 510 CG ASP A 32 10.192 43.963 -12.668 1.00 0.00 C ATOM 511 OD1 ASP A 32 11.004 44.822 -13.031 1.00 0.00 O ATOM 512 OD2 ASP A 32 9.024 43.830 -13.103 1.00 0.00 O ATOM 0 H ASP A 32 10.847 41.882 -9.309 1.00 0.00 H new ATOM 0 HA ASP A 32 12.636 43.419 -10.965 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.144 42.095 -12.102 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.786 42.533 -11.085 1.00 0.00 H new ATOM 517 N LYS A 33 10.680 45.321 -9.265 1.00 0.00 N ATOM 518 CA LYS A 33 10.660 46.685 -8.661 1.00 0.00 C ATOM 519 C LYS A 33 11.819 46.997 -7.676 1.00 0.00 C ATOM 520 O LYS A 33 12.471 48.057 -7.791 1.00 0.00 O ATOM 521 CB LYS A 33 9.301 46.884 -7.934 1.00 0.00 C ATOM 522 CG LYS A 33 8.008 47.072 -8.764 1.00 0.00 C ATOM 523 CD LYS A 33 8.220 47.978 -10.023 1.00 0.00 C ATOM 524 CE LYS A 33 6.945 48.098 -10.903 1.00 0.00 C ATOM 525 NZ LYS A 33 7.119 49.120 -11.976 1.00 0.00 N ATOM 0 H LYS A 33 9.930 44.714 -8.934 1.00 0.00 H new ATOM 0 HA LYS A 33 10.796 47.380 -9.489 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.149 46.021 -7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.402 47.755 -7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.641 46.096 -9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.237 47.512 -8.132 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.528 48.973 -9.701 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.033 47.572 -10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.719 47.131 -11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.093 48.366 -10.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.251 49.176 -12.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.311 50.047 -11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.917 48.850 -12.586 1.00 0.00 H new ATOM 539 N GLU A 34 12.037 46.124 -6.691 1.00 0.00 N ATOM 540 CA GLU A 34 12.847 46.496 -5.507 1.00 0.00 C ATOM 541 C GLU A 34 14.078 45.716 -5.142 1.00 0.00 C ATOM 542 O GLU A 34 14.725 46.087 -4.150 1.00 0.00 O ATOM 543 CB GLU A 34 11.927 46.434 -4.246 1.00 0.00 C ATOM 544 CG GLU A 34 10.762 47.422 -4.329 1.00 0.00 C ATOM 545 CD GLU A 34 11.231 48.890 -4.385 1.00 0.00 C ATOM 546 OE1 GLU A 34 10.990 49.504 -5.444 1.00 0.00 O ATOM 547 OE2 GLU A 34 11.720 49.393 -3.344 1.00 0.00 O ATOM 0 H GLU A 34 11.676 45.170 -6.678 1.00 0.00 H new ATOM 0 HA GLU A 34 13.228 47.471 -5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.536 45.423 -4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.519 46.647 -3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.166 47.201 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.112 47.285 -3.465 1.00 0.00 H new ATOM 554 N GLY A 35 14.481 44.779 -5.960 1.00 0.00 N ATOM 555 CA GLY A 35 15.708 44.017 -5.712 1.00 0.00 C ATOM 556 C GLY A 35 15.690 42.859 -4.680 1.00 0.00 C ATOM 557 O GLY A 35 16.793 42.360 -4.382 1.00 0.00 O ATOM 0 H GLY A 35 13.985 44.514 -6.811 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.033 43.600 -6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.474 44.725 -5.396 1.00 0.00 H new ATOM 561 N ILE A 36 14.525 42.454 -4.185 1.00 0.00 N ATOM 562 CA ILE A 36 14.423 41.456 -3.059 1.00 0.00 C ATOM 563 C ILE A 36 14.489 39.974 -3.577 1.00 0.00 C ATOM 564 O ILE A 36 13.668 39.567 -4.407 1.00 0.00 O ATOM 565 CB ILE A 36 13.139 41.539 -2.171 1.00 0.00 C ATOM 566 CG1 ILE A 36 12.590 42.939 -2.009 1.00 0.00 C ATOM 567 CG2 ILE A 36 13.391 40.801 -0.821 1.00 0.00 C ATOM 568 CD1 ILE A 36 13.575 44.028 -1.498 1.00 0.00 C ATOM 0 H ILE A 36 13.623 42.785 -4.527 1.00 0.00 H new ATOM 0 HA ILE A 36 15.281 41.731 -2.446 1.00 0.00 H new ATOM 0 HB ILE A 36 12.336 41.022 -2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.197 43.263 -2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.747 42.895 -1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.496 40.859 -0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.630 39.756 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.224 41.272 -0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.056 44.984 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.952 43.746 -0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.409 44.119 -2.194 1.00 0.00 H new ATOM 580 N PRO A 37 15.464 39.194 -3.104 1.00 0.00 N ATOM 581 CA PRO A 37 15.717 37.782 -3.597 1.00 0.00 C ATOM 582 C PRO A 37 14.575 36.804 -3.351 1.00 0.00 C ATOM 583 O PRO A 37 14.230 36.657 -2.196 1.00 0.00 O ATOM 584 CB PRO A 37 17.051 37.267 -2.891 1.00 0.00 C ATOM 585 CG PRO A 37 17.638 38.518 -2.189 1.00 0.00 C ATOM 586 CD PRO A 37 16.390 39.448 -2.007 1.00 0.00 C ATOM 0 HA PRO A 37 15.810 37.822 -4.682 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.838 36.475 -2.173 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.751 36.858 -3.619 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.094 38.265 -1.232 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.410 38.994 -2.794 1.00 0.00 H new ATOM 0 HD2 PRO A 37 15.907 39.252 -1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 37 16.694 40.495 -2.002 1.00 0.00 H new ATOM 594 N PRO A 38 14.062 36.161 -4.367 1.00 0.00 N ATOM 595 CA PRO A 38 12.971 35.168 -4.233 1.00 0.00 C ATOM 596 C PRO A 38 13.197 34.092 -3.207 1.00 0.00 C ATOM 597 O PRO A 38 12.248 33.768 -2.493 1.00 0.00 O ATOM 598 CB PRO A 38 12.860 34.610 -5.693 1.00 0.00 C ATOM 599 CG PRO A 38 13.300 35.789 -6.553 1.00 0.00 C ATOM 600 CD PRO A 38 14.438 36.366 -5.788 1.00 0.00 C ATOM 0 HA PRO A 38 12.055 35.619 -3.851 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.502 33.742 -5.842 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.842 34.298 -5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.606 35.468 -7.549 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.496 36.513 -6.685 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.375 35.864 -6.029 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.575 37.423 -6.015 1.00 0.00 H new ATOM 608 N ASP A 39 14.411 33.577 -3.056 1.00 0.00 N ATOM 609 CA ASP A 39 14.650 32.521 -2.020 1.00 0.00 C ATOM 610 C ASP A 39 14.303 33.028 -0.584 1.00 0.00 C ATOM 611 O ASP A 39 13.658 32.348 0.226 1.00 0.00 O ATOM 612 CB ASP A 39 16.092 31.980 -2.239 1.00 0.00 C ATOM 613 CG ASP A 39 16.500 30.861 -1.259 1.00 0.00 C ATOM 614 OD1 ASP A 39 15.588 30.131 -0.862 1.00 0.00 O ATOM 615 OD2 ASP A 39 17.684 30.810 -0.889 1.00 0.00 O ATOM 0 H ASP A 39 15.230 33.844 -3.602 1.00 0.00 H new ATOM 0 HA ASP A 39 13.972 31.674 -2.128 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.177 31.604 -3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.797 32.806 -2.144 1.00 0.00 H new ATOM 620 N GLN A 40 14.671 34.305 -0.292 1.00 0.00 N ATOM 621 CA GLN A 40 14.677 34.908 1.011 1.00 0.00 C ATOM 622 C GLN A 40 13.309 35.559 1.388 1.00 0.00 C ATOM 623 O GLN A 40 12.988 35.674 2.562 1.00 0.00 O ATOM 624 CB GLN A 40 15.867 35.912 1.104 1.00 0.00 C ATOM 625 CG GLN A 40 17.188 35.084 0.903 1.00 0.00 C ATOM 626 CD GLN A 40 18.467 35.974 1.030 1.00 0.00 C ATOM 627 OE1 GLN A 40 18.535 36.898 1.846 1.00 0.00 O ATOM 628 NE2 GLN A 40 19.556 35.620 0.339 1.00 0.00 N ATOM 0 H GLN A 40 14.983 34.951 -1.018 1.00 0.00 H new ATOM 0 HA GLN A 40 14.821 34.123 1.754 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.778 36.686 0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.871 36.415 2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 40 17.229 34.284 1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.173 34.611 -0.079 1.00 0.00 H new ATOM 0 HE21 GLN A 40 19.506 34.857 -0.336 1.00 0.00 H new ATOM 0 HE22 GLN A 40 20.437 36.113 0.488 1.00 0.00 H new ATOM 637 N GLN A 41 12.521 35.934 0.404 1.00 0.00 N ATOM 638 CA GLN A 41 11.129 36.472 0.636 1.00 0.00 C ATOM 639 C GLN A 41 10.231 35.507 1.425 1.00 0.00 C ATOM 640 O GLN A 41 10.224 34.300 1.156 1.00 0.00 O ATOM 641 CB GLN A 41 10.480 36.862 -0.733 1.00 0.00 C ATOM 642 CG GLN A 41 11.195 38.094 -1.426 1.00 0.00 C ATOM 643 CD GLN A 41 10.382 38.560 -2.625 1.00 0.00 C ATOM 644 OE1 GLN A 41 9.179 38.736 -2.625 1.00 0.00 O ATOM 645 NE2 GLN A 41 11.004 38.815 -3.726 1.00 0.00 N ATOM 0 H GLN A 41 12.789 35.890 -0.579 1.00 0.00 H new ATOM 0 HA GLN A 41 11.223 37.361 1.259 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.516 36.004 -1.404 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.428 37.100 -0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.305 38.910 -0.712 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.198 37.811 -1.744 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.014 38.685 -3.783 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.486 39.147 -4.540 1.00 0.00 H new ATOM 654 N ARG A 42 9.413 36.082 2.336 1.00 0.00 N ATOM 655 CA ARG A 42 8.439 35.331 3.050 1.00 0.00 C ATOM 656 C ARG A 42 7.200 36.246 3.035 1.00 0.00 C ATOM 657 O ARG A 42 7.233 37.348 3.570 1.00 0.00 O ATOM 658 CB ARG A 42 8.984 35.100 4.513 1.00 0.00 C ATOM 659 CG ARG A 42 10.211 34.151 4.725 1.00 0.00 C ATOM 660 CD ARG A 42 9.990 32.648 4.505 1.00 0.00 C ATOM 661 NE ARG A 42 9.712 32.451 3.033 1.00 0.00 N ATOM 662 CZ ARG A 42 9.267 31.326 2.527 1.00 0.00 C ATOM 663 NH1 ARG A 42 8.755 30.377 3.283 1.00 0.00 N ATOM 664 NH2 ARG A 42 9.173 31.162 1.240 1.00 0.00 N ATOM 0 H ARG A 42 9.434 37.074 2.572 1.00 0.00 H new ATOM 0 HA ARG A 42 8.212 34.350 2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.247 36.075 4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.161 34.713 5.113 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.007 34.476 4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.574 34.292 5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.869 32.081 4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.155 32.289 5.106 1.00 0.00 H new ATOM 0 HE ARG A 42 9.879 33.233 2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.696 30.506 4.293 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.417 29.513 2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.447 31.915 0.609 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.825 30.281 0.862 1.00 0.00 H new ATOM 678 N LEU A 43 6.141 35.771 2.383 1.00 0.00 N ATOM 679 CA LEU A 43 4.912 36.599 2.147 1.00 0.00 C ATOM 680 C LEU A 43 3.696 36.076 2.944 1.00 0.00 C ATOM 681 O LEU A 43 3.320 34.889 2.853 1.00 0.00 O ATOM 682 CB LEU A 43 4.482 36.549 0.653 1.00 0.00 C ATOM 683 CG LEU A 43 5.540 37.128 -0.297 1.00 0.00 C ATOM 684 CD1 LEU A 43 4.984 36.950 -1.741 1.00 0.00 C ATOM 685 CD2 LEU A 43 5.903 38.577 -0.023 1.00 0.00 C ATOM 0 H LEU A 43 6.088 34.826 2.002 1.00 0.00 H new ATOM 0 HA LEU A 43 5.179 37.608 2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.278 35.515 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.551 37.102 0.530 1.00 0.00 H new ATOM 0 HG LEU A 43 6.477 36.591 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.702 37.348 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.821 35.891 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.040 37.487 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.656 38.905 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.014 39.200 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.300 38.668 0.988 1.00 0.00 H new ATOM 697 N ILE A 44 3.045 36.988 3.740 1.00 0.00 N ATOM 698 CA ILE A 44 1.980 36.672 4.684 1.00 0.00 C ATOM 699 C ILE A 44 0.633 37.325 4.196 1.00 0.00 C ATOM 700 O ILE A 44 0.604 38.411 3.634 1.00 0.00 O ATOM 701 CB ILE A 44 2.372 37.302 6.039 1.00 0.00 C ATOM 702 CG1 ILE A 44 3.867 37.181 6.449 1.00 0.00 C ATOM 703 CG2 ILE A 44 1.384 36.775 7.163 1.00 0.00 C ATOM 704 CD1 ILE A 44 4.401 35.713 6.520 1.00 0.00 C ATOM 0 H ILE A 44 3.272 37.982 3.722 1.00 0.00 H new ATOM 0 HA ILE A 44 1.846 35.593 4.767 1.00 0.00 H new ATOM 0 HB ILE A 44 2.260 38.379 5.914 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.473 37.741 5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.003 37.652 7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.656 37.216 8.122 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.362 37.057 6.910 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.455 35.689 7.230 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.451 35.722 6.813 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.824 35.151 7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.301 35.242 5.542 1.00 0.00 H new ATOM 716 N PHE A 45 -0.430 36.568 4.244 1.00 0.00 N ATOM 717 CA PHE A 45 -1.765 36.989 3.790 1.00 0.00 C ATOM 718 C PHE A 45 -2.775 36.401 4.774 1.00 0.00 C ATOM 719 O PHE A 45 -2.763 35.205 5.006 1.00 0.00 O ATOM 720 CB PHE A 45 -2.081 36.509 2.349 1.00 0.00 C ATOM 721 CG PHE A 45 -3.441 36.954 1.954 1.00 0.00 C ATOM 722 CD1 PHE A 45 -3.746 38.319 1.968 1.00 0.00 C ATOM 723 CD2 PHE A 45 -4.385 36.008 1.538 1.00 0.00 C ATOM 724 CE1 PHE A 45 -4.965 38.729 1.485 1.00 0.00 C ATOM 725 CE2 PHE A 45 -5.646 36.403 1.094 1.00 0.00 C ATOM 726 CZ PHE A 45 -5.920 37.801 1.053 1.00 0.00 C ATOM 0 H PHE A 45 -0.411 35.615 4.606 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.812 38.078 3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.342 36.908 1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.015 35.422 2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.036 39.037 2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.133 34.958 1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.190 39.784 1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.387 35.677 0.793 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.874 38.148 0.685 1.00 0.00 H new ATOM 736 N ALA A 46 -3.590 37.255 5.460 1.00 0.00 N ATOM 737 CA ALA A 46 -4.406 36.851 6.672 1.00 0.00 C ATOM 738 C ALA A 46 -3.572 36.283 7.799 1.00 0.00 C ATOM 739 O ALA A 46 -3.966 35.280 8.391 1.00 0.00 O ATOM 740 CB ALA A 46 -5.523 35.801 6.336 1.00 0.00 C ATOM 0 H ALA A 46 -3.707 38.235 5.201 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.861 37.787 6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.073 35.552 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.209 36.222 5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.064 34.899 5.930 1.00 0.00 H new ATOM 746 N GLY A 47 -2.383 36.818 8.093 1.00 0.00 N ATOM 747 CA GLY A 47 -1.505 36.276 9.164 1.00 0.00 C ATOM 748 C GLY A 47 -1.000 34.833 9.002 1.00 0.00 C ATOM 749 O GLY A 47 -0.672 34.202 9.992 1.00 0.00 O ATOM 0 H GLY A 47 -1.995 37.628 7.610 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.637 36.929 9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.047 36.339 10.108 1.00 0.00 H new ATOM 753 N LYS A 48 -0.960 34.248 7.815 1.00 0.00 N ATOM 754 CA LYS A 48 -0.343 32.956 7.588 1.00 0.00 C ATOM 755 C LYS A 48 0.312 32.963 6.188 1.00 0.00 C ATOM 756 O LYS A 48 -0.073 33.641 5.236 1.00 0.00 O ATOM 757 CB LYS A 48 -1.398 31.839 7.782 1.00 0.00 C ATOM 758 CG LYS A 48 -2.682 32.054 6.932 1.00 0.00 C ATOM 759 CD LYS A 48 -3.557 30.814 7.253 1.00 0.00 C ATOM 760 CE LYS A 48 -4.985 31.049 6.673 1.00 0.00 C ATOM 761 NZ LYS A 48 -5.020 30.733 5.221 1.00 0.00 N ATOM 0 H LYS A 48 -1.360 34.664 6.974 1.00 0.00 H new ATOM 0 HA LYS A 48 0.448 32.754 8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.953 30.879 7.520 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.672 31.786 8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.189 32.981 7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.451 32.115 5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.115 29.917 6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.608 30.655 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.705 30.426 7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.282 32.086 6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.979 30.896 4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.347 31.345 4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.758 29.737 5.076 1.00 0.00 H new ATOM 775 N GLN A 49 1.248 32.023 6.052 1.00 0.00 N ATOM 776 CA GLN A 49 2.065 31.612 4.877 1.00 0.00 C ATOM 777 C GLN A 49 1.322 31.289 3.555 1.00 0.00 C ATOM 778 O GLN A 49 0.152 30.926 3.599 1.00 0.00 O ATOM 779 CB GLN A 49 2.946 30.408 5.369 1.00 0.00 C ATOM 780 CG GLN A 49 4.221 30.049 4.476 1.00 0.00 C ATOM 781 CD GLN A 49 5.029 31.231 3.915 1.00 0.00 C ATOM 782 OE1 GLN A 49 5.100 31.420 2.660 1.00 0.00 O ATOM 783 NE2 GLN A 49 5.618 32.041 4.778 1.00 0.00 N ATOM 0 H GLN A 49 1.493 31.450 6.860 1.00 0.00 H new ATOM 0 HA GLN A 49 2.646 32.481 4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.288 30.626 6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.312 29.523 5.430 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.892 29.432 5.074 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.887 29.437 3.638 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.542 31.862 5.779 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.148 32.845 4.443 1.00 0.00 H new ATOM 792 N LEU A 50 2.096 31.345 2.458 1.00 0.00 N ATOM 793 CA LEU A 50 1.520 31.317 1.058 1.00 0.00 C ATOM 794 C LEU A 50 2.233 30.195 0.320 1.00 0.00 C ATOM 795 O LEU A 50 3.454 30.131 0.309 1.00 0.00 O ATOM 796 CB LEU A 50 1.500 32.653 0.224 1.00 0.00 C ATOM 797 CG LEU A 50 0.512 33.759 0.731 1.00 0.00 C ATOM 798 CD1 LEU A 50 0.812 35.038 -0.082 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.986 33.392 0.390 1.00 0.00 C ATOM 0 H LEU A 50 3.114 31.410 2.488 1.00 0.00 H new ATOM 0 HA LEU A 50 0.449 31.152 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.508 33.069 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.246 32.411 -0.808 1.00 0.00 H new ATOM 0 HG LEU A 50 0.637 33.870 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.145 35.838 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.846 35.340 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.657 34.840 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.646 34.179 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.100 33.295 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.248 32.448 0.869 1.00 0.00 H new ATOM 811 N GLU A 51 1.427 29.329 -0.344 1.00 0.00 N ATOM 812 CA GLU A 51 1.994 28.181 -1.053 1.00 0.00 C ATOM 813 C GLU A 51 2.477 28.634 -2.449 1.00 0.00 C ATOM 814 O GLU A 51 1.742 29.270 -3.217 1.00 0.00 O ATOM 815 CB GLU A 51 1.014 27.000 -1.190 1.00 0.00 C ATOM 816 CG GLU A 51 0.896 26.269 0.190 1.00 0.00 C ATOM 817 CD GLU A 51 -0.196 25.188 0.111 1.00 0.00 C ATOM 818 OE1 GLU A 51 -0.265 24.374 -0.839 1.00 0.00 O ATOM 819 OE2 GLU A 51 -0.951 25.214 1.057 1.00 0.00 O ATOM 0 H GLU A 51 0.412 29.409 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 51 2.829 27.815 -0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.036 27.358 -1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.365 26.307 -1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.851 25.816 0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.655 26.987 0.974 1.00 0.00 H new ATOM 826 N ASP A 52 3.725 28.253 -2.727 1.00 0.00 N ATOM 827 CA ASP A 52 4.462 28.619 -3.952 1.00 0.00 C ATOM 828 C ASP A 52 3.654 28.242 -5.213 1.00 0.00 C ATOM 829 O ASP A 52 3.714 28.927 -6.221 1.00 0.00 O ATOM 830 CB ASP A 52 5.853 27.864 -3.987 1.00 0.00 C ATOM 831 CG ASP A 52 6.819 28.419 -2.931 1.00 0.00 C ATOM 832 OD1 ASP A 52 6.516 29.465 -2.356 1.00 0.00 O ATOM 833 OD2 ASP A 52 7.847 27.782 -2.737 1.00 0.00 O ATOM 0 H ASP A 52 4.270 27.667 -2.095 1.00 0.00 H new ATOM 0 HA ASP A 52 4.622 29.697 -3.943 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.695 26.799 -3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.298 27.964 -4.977 1.00 0.00 H new ATOM 838 N GLY A 53 2.932 27.175 -5.109 1.00 0.00 N ATOM 839 CA GLY A 53 2.121 26.595 -6.198 1.00 0.00 C ATOM 840 C GLY A 53 0.716 27.180 -6.455 1.00 0.00 C ATOM 841 O GLY A 53 0.073 26.848 -7.439 1.00 0.00 O ATOM 0 H GLY A 53 2.869 26.642 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.692 26.684 -7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.006 25.530 -5.996 1.00 0.00 H new ATOM 845 N ARG A 54 0.235 28.057 -5.583 1.00 0.00 N ATOM 846 CA ARG A 54 -1.134 28.520 -5.644 1.00 0.00 C ATOM 847 C ARG A 54 -1.239 29.867 -6.349 1.00 0.00 C ATOM 848 O ARG A 54 -0.388 30.729 -6.198 1.00 0.00 O ATOM 849 CB ARG A 54 -1.618 28.635 -4.194 1.00 0.00 C ATOM 850 CG ARG A 54 -2.054 27.267 -3.590 1.00 0.00 C ATOM 851 CD ARG A 54 -3.413 26.829 -4.247 1.00 0.00 C ATOM 852 NE ARG A 54 -4.101 25.880 -3.377 1.00 0.00 N ATOM 853 CZ ARG A 54 -5.388 25.569 -3.581 1.00 0.00 C ATOM 854 NH1 ARG A 54 -6.147 25.905 -4.602 1.00 0.00 N ATOM 855 NH2 ARG A 54 -5.866 24.527 -2.908 1.00 0.00 N ATOM 0 H ARG A 54 0.782 28.461 -4.822 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.746 27.824 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.821 29.059 -3.583 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.457 29.330 -4.150 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.288 26.514 -3.772 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.168 27.352 -2.509 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.043 27.702 -4.418 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.227 26.375 -5.220 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.595 25.448 -2.604 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.762 26.470 -5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.120 25.601 -4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.259 24.008 -2.274 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.840 24.247 -3.026 1.00 0.00 H new ATOM 869 N THR A 55 -2.296 29.980 -7.184 1.00 0.00 N ATOM 870 CA THR A 55 -2.696 31.254 -7.758 1.00 0.00 C ATOM 871 C THR A 55 -3.384 32.164 -6.702 1.00 0.00 C ATOM 872 O THR A 55 -3.853 31.684 -5.654 1.00 0.00 O ATOM 873 CB THR A 55 -3.647 31.006 -9.003 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.627 29.974 -8.819 1.00 0.00 O ATOM 875 CG2 THR A 55 -2.747 30.529 -10.148 1.00 0.00 C ATOM 0 H THR A 55 -2.880 29.193 -7.467 1.00 0.00 H new ATOM 0 HA THR A 55 -1.801 31.776 -8.096 1.00 0.00 H new ATOM 0 HB THR A 55 -4.184 31.938 -9.180 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.169 29.889 -9.631 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.354 30.343 -11.034 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.005 31.296 -10.371 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.241 29.609 -9.854 1.00 0.00 H new ATOM 883 N LEU A 56 -3.392 33.506 -6.977 1.00 0.00 N ATOM 884 CA LEU A 56 -3.977 34.575 -6.185 1.00 0.00 C ATOM 885 C LEU A 56 -5.472 34.489 -6.177 1.00 0.00 C ATOM 886 O LEU A 56 -6.062 34.797 -5.157 1.00 0.00 O ATOM 887 CB LEU A 56 -3.468 35.975 -6.713 1.00 0.00 C ATOM 888 CG LEU A 56 -1.968 36.278 -6.498 1.00 0.00 C ATOM 889 CD1 LEU A 56 -1.660 37.725 -7.056 1.00 0.00 C ATOM 890 CD2 LEU A 56 -1.607 36.335 -4.986 1.00 0.00 C ATOM 0 H LEU A 56 -2.952 33.867 -7.823 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.653 34.465 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.681 36.037 -7.780 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.049 36.758 -6.226 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.402 35.492 -6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.604 37.954 -6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.897 37.763 -8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.266 38.457 -6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.544 36.550 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.189 37.119 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.834 35.376 -4.521 1.00 0.00 H new ATOM 902 N SER A 57 -6.048 33.897 -7.225 1.00 0.00 N ATOM 903 CA SER A 57 -7.500 33.654 -7.301 1.00 0.00 C ATOM 904 C SER A 57 -7.996 32.448 -6.500 1.00 0.00 C ATOM 905 O SER A 57 -9.186 32.304 -6.228 1.00 0.00 O ATOM 906 CB SER A 57 -7.904 33.394 -8.765 1.00 0.00 C ATOM 907 OG SER A 57 -6.928 32.471 -9.282 1.00 0.00 O ATOM 0 H SER A 57 -5.531 33.573 -8.042 1.00 0.00 H new ATOM 0 HA SER A 57 -7.951 34.551 -6.876 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.909 32.975 -8.825 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.910 34.320 -9.340 1.00 0.00 H new ATOM 0 HG SER A 57 -6.188 32.970 -9.686 1.00 0.00 H new ATOM 913 N ASP A 58 -7.092 31.547 -6.154 1.00 0.00 N ATOM 914 CA ASP A 58 -7.432 30.423 -5.232 1.00 0.00 C ATOM 915 C ASP A 58 -7.679 31.006 -3.834 1.00 0.00 C ATOM 916 O ASP A 58 -8.550 30.548 -3.085 1.00 0.00 O ATOM 917 CB ASP A 58 -6.311 29.316 -5.266 1.00 0.00 C ATOM 918 CG ASP A 58 -6.394 28.514 -6.569 1.00 0.00 C ATOM 919 OD1 ASP A 58 -7.039 28.946 -7.522 1.00 0.00 O ATOM 920 OD2 ASP A 58 -5.736 27.492 -6.638 1.00 0.00 O ATOM 0 H ASP A 58 -6.125 31.551 -6.480 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.344 29.919 -5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.329 29.781 -5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.424 28.648 -4.412 1.00 0.00 H new ATOM 925 N TYR A 59 -6.906 32.054 -3.499 1.00 0.00 N ATOM 926 CA TYR A 59 -6.955 32.704 -2.176 1.00 0.00 C ATOM 927 C TYR A 59 -8.000 33.819 -2.199 1.00 0.00 C ATOM 928 O TYR A 59 -8.326 34.360 -1.196 1.00 0.00 O ATOM 929 CB TYR A 59 -5.543 33.300 -1.751 1.00 0.00 C ATOM 930 CG TYR A 59 -4.453 32.295 -1.411 1.00 0.00 C ATOM 931 CD1 TYR A 59 -3.469 32.067 -2.357 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.570 31.477 -0.299 1.00 0.00 C ATOM 933 CE1 TYR A 59 -2.421 31.171 -2.096 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.545 30.550 -0.023 1.00 0.00 C ATOM 935 CZ TYR A 59 -2.558 30.331 -0.985 1.00 0.00 C ATOM 936 OH TYR A 59 -1.511 29.534 -0.588 1.00 0.00 O ATOM 0 H TYR A 59 -6.230 32.474 -4.137 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.226 31.947 -1.440 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.182 33.932 -2.562 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.693 33.946 -0.886 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.508 32.583 -3.305 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.433 31.549 0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.545 31.131 -2.726 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.524 30.018 0.917 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.775 29.015 0.200 1.00 0.00 H new ATOM 946 N ASN A 60 -8.440 34.202 -3.377 1.00 0.00 N ATOM 947 CA ASN A 60 -9.394 35.334 -3.669 1.00 0.00 C ATOM 948 C ASN A 60 -8.797 36.705 -3.379 1.00 0.00 C ATOM 949 O ASN A 60 -9.501 37.533 -2.810 1.00 0.00 O ATOM 950 CB ASN A 60 -10.800 35.148 -3.057 1.00 0.00 C ATOM 951 CG ASN A 60 -11.422 33.864 -3.706 1.00 0.00 C ATOM 952 OD1 ASN A 60 -11.726 33.825 -4.927 1.00 0.00 O ATOM 953 ND2 ASN A 60 -11.678 32.771 -2.986 1.00 0.00 N ATOM 0 H ASN A 60 -8.145 33.726 -4.230 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.551 35.293 -4.747 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.737 35.040 -1.974 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.424 36.020 -3.254 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.101 31.956 -3.430 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.451 32.750 -1.992 1.00 0.00 H new ATOM 960 N ILE A 61 -7.493 36.945 -3.713 1.00 0.00 N ATOM 961 CA ILE A 61 -6.956 38.312 -3.843 1.00 0.00 C ATOM 962 C ILE A 61 -7.709 39.108 -4.917 1.00 0.00 C ATOM 963 O ILE A 61 -8.039 38.602 -6.007 1.00 0.00 O ATOM 964 CB ILE A 61 -5.378 38.176 -3.951 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.907 38.179 -2.497 1.00 0.00 C ATOM 966 CG2 ILE A 61 -4.650 39.305 -4.773 1.00 0.00 C ATOM 967 CD1 ILE A 61 -3.410 37.976 -2.320 1.00 0.00 C ATOM 0 H ILE A 61 -6.810 36.209 -3.893 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.134 38.944 -2.973 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.127 37.274 -4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.189 39.127 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.434 37.393 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.577 39.114 -4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.027 39.311 -5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.842 40.273 -4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.164 37.992 -1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.120 37.015 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.872 38.775 -2.829 1.00 0.00 H new ATOM 979 N GLN A 62 -7.962 40.376 -4.555 1.00 0.00 N ATOM 980 CA GLN A 62 -8.730 41.331 -5.388 1.00 0.00 C ATOM 981 C GLN A 62 -7.990 42.697 -5.367 1.00 0.00 C ATOM 982 O GLN A 62 -6.941 42.850 -4.758 1.00 0.00 O ATOM 983 CB GLN A 62 -10.139 41.583 -4.849 1.00 0.00 C ATOM 984 CG GLN A 62 -10.948 40.192 -4.857 1.00 0.00 C ATOM 985 CD GLN A 62 -12.370 40.425 -4.371 1.00 0.00 C ATOM 986 OE1 GLN A 62 -12.867 39.748 -3.394 1.00 0.00 O ATOM 987 NE2 GLN A 62 -13.151 41.036 -5.210 1.00 0.00 N ATOM 0 H GLN A 62 -7.640 40.775 -3.673 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.809 40.901 -6.387 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.091 41.987 -3.838 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.652 42.323 -5.463 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.961 39.773 -5.863 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.448 39.466 -4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.752 41.571 -5.982 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.163 40.981 -5.097 1.00 0.00 H new ATOM 996 N LYS A 63 -8.533 43.725 -6.015 1.00 0.00 N ATOM 997 CA LYS A 63 -7.942 45.080 -5.966 1.00 0.00 C ATOM 998 C LYS A 63 -7.782 45.763 -4.577 1.00 0.00 C ATOM 999 O LYS A 63 -8.711 45.943 -3.800 1.00 0.00 O ATOM 1000 CB LYS A 63 -8.630 46.039 -6.945 1.00 0.00 C ATOM 1001 CG LYS A 63 -10.193 46.200 -6.701 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.842 47.265 -7.694 1.00 0.00 C ATOM 1003 CE LYS A 63 -12.343 47.522 -7.461 1.00 0.00 C ATOM 1004 NZ LYS A 63 -12.615 48.162 -6.134 1.00 0.00 N ATOM 0 H LYS A 63 -9.379 43.656 -6.581 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.915 44.876 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.158 47.019 -6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.466 45.683 -7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.682 45.235 -6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.370 46.509 -5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.305 48.209 -7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.700 46.922 -8.719 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.726 48.162 -8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.884 46.578 -7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.638 48.314 -6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.274 47.541 -5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.122 49.076 -6.082 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.542 46.212 -4.238 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.186 46.890 -2.971 1.00 0.00 C ATOM 1020 C GLU A 64 -6.035 45.910 -1.818 1.00 0.00 C ATOM 1021 O GLU A 64 -6.004 46.334 -0.677 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.116 48.100 -2.575 1.00 0.00 C ATOM 1023 CG GLU A 64 -7.112 49.200 -3.694 1.00 0.00 C ATOM 1024 CD GLU A 64 -8.194 50.260 -3.292 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.015 51.472 -3.518 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -9.263 49.815 -2.811 1.00 0.00 O ATOM 0 H GLU A 64 -5.742 46.106 -4.862 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.213 47.336 -3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.133 47.744 -2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.776 48.532 -1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.129 49.664 -3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.341 48.763 -4.666 1.00 0.00 H new ATOM 1033 N SER A 65 -5.861 44.619 -2.138 1.00 0.00 N ATOM 1034 CA SER A 65 -5.412 43.602 -1.160 1.00 0.00 C ATOM 1035 C SER A 65 -4.063 43.880 -0.666 1.00 0.00 C ATOM 1036 O SER A 65 -3.228 44.211 -1.481 1.00 0.00 O ATOM 1037 CB SER A 65 -5.192 42.259 -1.885 1.00 0.00 C ATOM 1038 OG SER A 65 -6.456 41.738 -2.141 1.00 0.00 O ATOM 0 H SER A 65 -6.025 44.247 -3.073 1.00 0.00 H new ATOM 0 HA SER A 65 -6.167 43.596 -0.374 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.637 42.405 -2.812 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.608 41.576 -1.268 1.00 0.00 H new ATOM 0 HG SER A 65 -6.822 42.151 -2.950 1.00 0.00 H new ATOM 1044 N THR A 66 -3.865 43.660 0.686 1.00 0.00 N ATOM 1045 CA THR A 66 -2.663 44.060 1.359 1.00 0.00 C ATOM 1046 C THR A 66 -1.892 42.892 1.929 1.00 0.00 C ATOM 1047 O THR A 66 -2.365 42.170 2.834 1.00 0.00 O ATOM 1048 CB THR A 66 -2.998 44.933 2.580 1.00 0.00 C ATOM 1049 OG1 THR A 66 -3.802 46.002 2.135 1.00 0.00 O ATOM 1050 CG2 THR A 66 -1.747 45.487 3.249 1.00 0.00 C ATOM 0 H THR A 66 -4.549 43.205 1.290 1.00 0.00 H new ATOM 0 HA THR A 66 -2.076 44.581 0.603 1.00 0.00 H new ATOM 0 HB THR A 66 -3.515 44.321 3.319 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.033 46.576 2.895 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.033 46.097 4.106 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.118 44.662 3.584 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.194 46.099 2.536 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.679 42.683 1.347 1.00 0.00 N ATOM 1059 CA LEU A 67 0.200 41.588 1.738 1.00 0.00 C ATOM 1060 C LEU A 67 1.356 42.167 2.569 1.00 0.00 C ATOM 1061 O LEU A 67 1.616 43.332 2.353 1.00 0.00 O ATOM 1062 CB LEU A 67 0.830 40.840 0.544 1.00 0.00 C ATOM 1063 CG LEU A 67 -0.204 40.343 -0.469 1.00 0.00 C ATOM 1064 CD1 LEU A 67 0.527 39.657 -1.653 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -1.114 39.344 0.279 1.00 0.00 C ATOM 0 H LEU A 67 -0.303 43.271 0.604 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.415 40.878 2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.534 41.502 0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.402 39.990 0.917 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.800 41.159 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.207 39.302 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.193 40.373 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.109 38.813 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.871 38.960 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.513 38.517 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.601 39.849 1.113 1.00 0.00 H new ATOM 1077 N HIS A 68 1.978 41.374 3.477 1.00 0.00 N ATOM 1078 CA HIS A 68 3.107 41.844 4.278 1.00 0.00 C ATOM 1079 C HIS A 68 4.342 40.990 3.894 1.00 0.00 C ATOM 1080 O HIS A 68 4.293 39.767 3.904 1.00 0.00 O ATOM 1081 CB HIS A 68 2.743 41.845 5.790 1.00 0.00 C ATOM 1082 CG HIS A 68 1.471 42.551 6.129 1.00 0.00 C ATOM 1083 ND1 HIS A 68 1.470 43.560 7.069 1.00 0.00 N ATOM 1084 CD2 HIS A 68 0.178 42.259 5.862 1.00 0.00 C ATOM 1085 CE1 HIS A 68 0.183 43.804 7.359 1.00 0.00 C ATOM 1086 NE2 HIS A 68 -0.624 43.046 6.629 1.00 0.00 N ATOM 0 H HIS A 68 1.707 40.408 3.664 1.00 0.00 H new ATOM 0 HA HIS A 68 3.357 42.884 4.067 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.671 40.813 6.132 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.558 42.309 6.345 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.164 41.519 5.153 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.152 44.524 8.091 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.644 43.052 6.640 1.00 0.00 H new ATOM 1094 N LEU A 69 5.425 41.677 3.477 1.00 0.00 N ATOM 1095 CA LEU A 69 6.704 41.032 3.129 1.00 0.00 C ATOM 1096 C LEU A 69 7.606 40.940 4.344 1.00 0.00 C ATOM 1097 O LEU A 69 7.595 41.741 5.252 1.00 0.00 O ATOM 1098 CB LEU A 69 7.308 41.846 1.948 1.00 0.00 C ATOM 1099 CG LEU A 69 8.766 41.426 1.522 1.00 0.00 C ATOM 1100 CD1 LEU A 69 8.869 39.982 0.957 1.00 0.00 C ATOM 1101 CD2 LEU A 69 9.393 42.379 0.507 1.00 0.00 C ATOM 0 H LEU A 69 5.436 42.692 3.373 1.00 0.00 H new ATOM 0 HA LEU A 69 6.571 39.999 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.651 41.745 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.316 42.901 2.221 1.00 0.00 H new ATOM 0 HG LEU A 69 9.320 41.474 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.904 39.770 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.538 39.271 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.238 39.891 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.396 42.034 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.781 42.404 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.450 43.380 0.935 1.00 0.00 H new ATOM 1113 N VAL A 70 8.407 39.884 4.398 1.00 0.00 N ATOM 1114 CA VAL A 70 9.316 39.630 5.491 1.00 0.00 C ATOM 1115 C VAL A 70 10.542 38.994 4.780 1.00 0.00 C ATOM 1116 O VAL A 70 10.354 38.223 3.819 1.00 0.00 O ATOM 1117 CB VAL A 70 8.596 38.631 6.436 1.00 0.00 C ATOM 1118 CG1 VAL A 70 9.626 37.930 7.403 1.00 0.00 C ATOM 1119 CG2 VAL A 70 7.487 39.374 7.276 1.00 0.00 C ATOM 0 H VAL A 70 8.438 39.172 3.668 1.00 0.00 H new ATOM 0 HA VAL A 70 9.615 40.492 6.087 1.00 0.00 H new ATOM 0 HB VAL A 70 8.123 37.865 5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.098 37.235 8.055 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.365 37.386 6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.129 38.685 8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.990 38.661 7.934 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.949 40.159 7.874 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.754 39.816 6.601 1.00 0.00 H new ATOM 1129 N LEU A 71 11.796 39.384 5.160 1.00 0.00 N ATOM 1130 CA LEU A 71 13.001 38.668 4.771 1.00 0.00 C ATOM 1131 C LEU A 71 13.204 37.517 5.775 1.00 0.00 C ATOM 1132 O LEU A 71 13.282 37.648 6.958 1.00 0.00 O ATOM 1133 CB LEU A 71 14.307 39.512 4.768 1.00 0.00 C ATOM 1134 CG LEU A 71 14.501 40.325 3.456 1.00 0.00 C ATOM 1135 CD1 LEU A 71 14.935 39.452 2.261 1.00 0.00 C ATOM 1136 CD2 LEU A 71 13.229 41.147 3.032 1.00 0.00 C ATOM 0 H LEU A 71 11.974 40.203 5.742 1.00 0.00 H new ATOM 0 HA LEU A 71 12.840 38.345 3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 71 14.292 40.198 5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 71 15.161 38.850 4.909 1.00 0.00 H new ATOM 0 HG LEU A 71 15.303 41.021 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.053 40.078 1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.883 38.966 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.176 38.694 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 71 13.437 41.689 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.393 40.467 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.975 41.856 3.820 1.00 0.00 H new ATOM 1148 N ARG A 72 13.334 36.330 5.231 1.00 0.00 N ATOM 1149 CA ARG A 72 13.656 35.053 5.946 1.00 0.00 C ATOM 1150 C ARG A 72 14.557 34.999 7.187 1.00 0.00 C ATOM 1151 O ARG A 72 15.678 35.458 7.256 1.00 0.00 O ATOM 1152 CB ARG A 72 14.200 34.034 4.841 1.00 0.00 C ATOM 1153 CG ARG A 72 14.659 32.656 5.494 1.00 0.00 C ATOM 1154 CD ARG A 72 14.769 31.544 4.421 1.00 0.00 C ATOM 1155 NE ARG A 72 15.997 31.687 3.657 1.00 0.00 N ATOM 1156 CZ ARG A 72 16.200 31.295 2.371 1.00 0.00 C ATOM 1157 NH1 ARG A 72 15.330 30.529 1.775 1.00 0.00 N ATOM 1158 NH2 ARG A 72 17.391 31.493 1.802 1.00 0.00 N ATOM 0 H ARG A 72 13.218 36.189 4.227 1.00 0.00 H new ATOM 0 HA ARG A 72 12.707 34.814 6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.421 33.846 4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.039 34.484 4.311 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.622 32.786 5.988 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.945 32.357 6.261 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.745 30.565 4.901 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.910 31.592 3.751 1.00 0.00 H new ATOM 0 HE ARG A 72 16.785 32.125 4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.495 30.222 2.273 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.485 30.236 0.810 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.142 31.936 2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.550 31.201 0.838 1.00 0.00 H new ATOM 1172 N LEU A 73 14.024 34.269 8.192 1.00 0.00 N ATOM 1173 CA LEU A 73 14.665 34.007 9.491 1.00 0.00 C ATOM 1174 C LEU A 73 14.990 32.525 9.548 1.00 0.00 C ATOM 1175 O LEU A 73 14.166 31.672 9.258 1.00 0.00 O ATOM 1176 CB LEU A 73 13.723 34.449 10.639 1.00 0.00 C ATOM 1177 CG LEU A 73 14.251 34.003 12.087 1.00 0.00 C ATOM 1178 CD1 LEU A 73 15.727 34.496 12.365 1.00 0.00 C ATOM 1179 CD2 LEU A 73 13.301 34.566 13.139 1.00 0.00 C ATOM 0 H LEU A 73 13.105 33.833 8.114 1.00 0.00 H new ATOM 0 HA LEU A 73 15.587 34.577 9.607 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.614 35.533 10.616 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.732 34.026 10.473 1.00 0.00 H new ATOM 0 HG LEU A 73 14.272 32.914 12.129 1.00 0.00 H new ATOM 0 HD11 LEU A 73 16.039 34.169 13.357 1.00 0.00 H new ATOM 0 HD12 LEU A 73 16.398 34.075 11.617 1.00 0.00 H new ATOM 0 HD13 LEU A 73 15.763 35.584 12.313 1.00 0.00 H new ATOM 0 HD21 LEU A 73 13.643 34.274 14.132 1.00 0.00 H new ATOM 0 HD22 LEU A 73 13.282 35.653 13.067 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.298 34.174 12.971 1.00 0.00 H new ATOM 1191 N ARG A 74 16.236 32.217 9.884 1.00 0.00 N ATOM 1192 CA ARG A 74 16.646 30.838 9.970 1.00 0.00 C ATOM 1193 C ARG A 74 16.325 30.427 11.456 1.00 0.00 C ATOM 1194 O ARG A 74 16.365 31.237 12.405 1.00 0.00 O ATOM 1195 CB ARG A 74 18.156 30.610 9.629 1.00 0.00 C ATOM 1196 CG ARG A 74 18.700 31.161 8.274 1.00 0.00 C ATOM 1197 CD ARG A 74 18.158 30.317 7.074 1.00 0.00 C ATOM 1198 NE ARG A 74 18.788 30.852 5.863 1.00 0.00 N ATOM 1199 CZ ARG A 74 18.818 30.237 4.679 1.00 0.00 C ATOM 1200 NH1 ARG A 74 18.056 29.158 4.405 1.00 0.00 N ATOM 1201 NH2 ARG A 74 19.835 30.449 3.871 1.00 0.00 N ATOM 0 H ARG A 74 16.965 32.898 10.097 1.00 0.00 H new ATOM 0 HA ARG A 74 16.119 30.230 9.234 1.00 0.00 H new ATOM 0 HB2 ARG A 74 18.748 31.053 10.430 1.00 0.00 H new ATOM 0 HB3 ARG A 74 18.343 29.536 9.651 1.00 0.00 H new ATOM 0 HG2 ARG A 74 18.404 32.203 8.155 1.00 0.00 H new ATOM 0 HG3 ARG A 74 19.790 31.138 8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 74 18.400 29.262 7.202 1.00 0.00 H new ATOM 0 HD3 ARG A 74 17.072 30.389 7.009 1.00 0.00 H new ATOM 0 HE ARG A 74 19.238 31.765 5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 74 17.428 28.784 5.116 1.00 0.00 H new ATOM 0 HH12 ARG A 74 18.108 28.717 3.487 1.00 0.00 H new ATOM 0 HH21 ARG A 74 20.588 31.077 4.153 1.00 0.00 H new ATOM 0 HH22 ARG A 74 19.870 29.985 2.963 1.00 0.00 H new ATOM 1215 N GLY A 75 15.914 29.135 11.610 1.00 0.00 N ATOM 1216 CA GLY A 75 15.509 28.420 12.818 1.00 0.00 C ATOM 1217 C GLY A 75 16.427 28.379 13.995 1.00 0.00 C ATOM 1218 O GLY A 75 17.594 28.648 13.881 1.00 0.00 O ATOM 0 H GLY A 75 15.859 28.522 10.797 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.568 28.855 13.154 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.300 27.389 12.532 1.00 0.00 H new ATOM 1222 N GLY A 76 15.822 28.161 15.156 1.00 0.00 N ATOM 1223 CA GLY A 76 16.570 28.053 16.396 1.00 0.00 C ATOM 1224 C GLY A 76 16.806 29.446 17.029 1.00 0.00 C ATOM 1225 O GLY A 76 17.282 30.398 16.369 1.00 0.00 O ATOM 1226 OXT GLY A 76 16.511 29.536 18.207 1.00 0.00 O ATOM 0 H GLY A 76 14.813 28.056 15.262 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.028 27.419 17.097 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.528 27.570 16.205 1.00 0.00 H new TER 1230 GLY A 76