USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 168:sc= -1.64 (180deg=-2.69) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.0277 K(o=0.028,f=-0.97) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 69:sc= 0.538 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.036 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00644 USER MOD Single : A 25 ASN : amide:sc= -0.0637 X(o=-0.064,f=-0.53) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 145:sc= 0.317 (180deg=-0.0372) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.76! C(o=-5.9!,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= -0.466 (180deg=-2.64!) USER MOD Single : A 49 GLN : amide:sc= -0.0348 K(o=-0.035,f=-0.59) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.043 K(o=-0.043,f=-1) 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 -94:sc= -0.36 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=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.807 2.427 -2.279 1.00 0.00 N ATOM 2 CA MET A 1 -14.405 1.688 -1.053 1.00 0.00 C ATOM 3 C MET A 1 -13.614 2.583 -0.102 1.00 0.00 C ATOM 4 O MET A 1 -12.555 3.099 -0.461 1.00 0.00 O ATOM 5 CB MET A 1 -13.560 0.482 -1.468 1.00 0.00 C ATOM 6 CG MET A 1 -13.122 -0.384 -0.298 1.00 0.00 C ATOM 7 SD MET A 1 -11.464 0.019 0.283 1.00 0.00 S ATOM 8 CE MET A 1 -10.887 -1.592 0.809 1.00 0.00 C ATOM 0 H1 MET A 1 -15.343 1.794 -2.906 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.402 3.238 -2.016 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.958 2.767 -2.774 1.00 0.00 H new ATOM 0 HA MET A 1 -15.299 1.358 -0.524 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.131 -0.128 -2.167 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.676 0.834 -2.000 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.829 -0.264 0.523 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.154 -1.432 -0.595 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.813 -1.552 0.993 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.402 -1.881 1.725 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.094 -2.325 0.029 1.00 0.00 H new ATOM 20 N GLN A 2 -14.131 2.765 1.112 1.00 0.00 N ATOM 21 CA GLN A 2 -13.464 3.599 2.107 1.00 0.00 C ATOM 22 C GLN A 2 -12.593 2.753 3.033 1.00 0.00 C ATOM 23 O GLN A 2 -13.035 1.723 3.543 1.00 0.00 O ATOM 24 CB GLN A 2 -14.491 4.386 2.926 1.00 0.00 C ATOM 25 CG GLN A 2 -15.494 3.506 3.655 1.00 0.00 C ATOM 26 CD GLN A 2 -16.856 3.493 2.981 1.00 0.00 C ATOM 27 OE1 GLN A 2 -17.159 2.595 2.194 1.00 0.00 O ATOM 28 NE2 GLN A 2 -17.686 4.489 3.284 1.00 0.00 N ATOM 0 H GLN A 2 -15.006 2.347 1.428 1.00 0.00 H new ATOM 0 HA GLN A 2 -12.822 4.303 1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.966 5.004 3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -15.029 5.063 2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.108 2.488 3.707 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.603 3.858 4.681 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -17.395 5.213 3.941 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.612 4.528 2.859 1.00 0.00 H new ATOM 37 N ILE A 3 -11.354 3.189 3.246 1.00 0.00 N ATOM 38 CA ILE A 3 -10.427 2.465 4.110 1.00 0.00 C ATOM 39 C ILE A 3 -9.625 3.432 4.982 1.00 0.00 C ATOM 40 O ILE A 3 -9.479 4.606 4.640 1.00 0.00 O ATOM 41 CB ILE A 3 -9.460 1.594 3.280 1.00 0.00 C ATOM 42 CG1 ILE A 3 -8.646 0.674 4.192 1.00 0.00 C ATOM 43 CG2 ILE A 3 -8.539 2.465 2.438 1.00 0.00 C ATOM 44 CD1 ILE A 3 -8.064 -0.525 3.475 1.00 0.00 C ATOM 0 H ILE A 3 -10.970 4.039 2.833 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.020 1.816 4.754 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.052 0.974 2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.835 1.247 4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.282 0.327 5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.866 1.831 1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.135 3.074 1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.956 3.115 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.500 -1.133 4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.871 -1.120 3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.402 -0.186 2.678 1.00 0.00 H new ATOM 56 N PHE A 4 -9.109 2.942 6.109 1.00 0.00 N ATOM 57 CA PHE A 4 -8.329 3.780 7.013 1.00 0.00 C ATOM 58 C PHE A 4 -6.904 3.251 7.151 1.00 0.00 C ATOM 59 O PHE A 4 -6.661 2.268 7.851 1.00 0.00 O ATOM 60 CB PHE A 4 -9.000 3.843 8.388 1.00 0.00 C ATOM 61 CG PHE A 4 -9.689 5.150 8.658 1.00 0.00 C ATOM 62 CD1 PHE A 4 -10.822 5.511 7.949 1.00 0.00 C ATOM 63 CD2 PHE A 4 -9.203 6.018 9.622 1.00 0.00 C ATOM 64 CE1 PHE A 4 -11.458 6.713 8.195 1.00 0.00 C ATOM 65 CE2 PHE A 4 -9.833 7.221 9.873 1.00 0.00 C ATOM 66 CZ PHE A 4 -10.963 7.569 9.159 1.00 0.00 C ATOM 0 H PHE A 4 -9.217 1.975 6.415 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.284 4.784 6.592 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.727 3.035 8.466 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.249 3.671 9.159 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -11.214 4.845 7.194 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.320 5.751 10.184 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -12.341 6.982 7.634 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.443 7.889 10.627 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.458 8.509 9.354 1.00 0.00 H new ATOM 76 N VAL A 5 -5.963 3.908 6.474 1.00 0.00 N ATOM 77 CA VAL A 5 -4.564 3.502 6.519 1.00 0.00 C ATOM 78 C VAL A 5 -3.676 4.641 7.017 1.00 0.00 C ATOM 79 O VAL A 5 -3.998 5.814 6.832 1.00 0.00 O ATOM 80 CB VAL A 5 -4.068 3.048 5.132 1.00 0.00 C ATOM 81 CG1 VAL A 5 -2.716 2.362 5.246 1.00 0.00 C ATOM 82 CG2 VAL A 5 -5.085 2.128 4.473 1.00 0.00 C ATOM 0 H VAL A 5 -6.147 4.723 5.889 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.499 2.664 7.213 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.951 3.931 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.382 2.049 4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.991 3.056 5.671 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.804 1.489 5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.716 1.819 3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.238 1.248 5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.030 2.657 4.353 1.00 0.00 H new ATOM 92 N LYS A 6 -2.558 4.289 7.650 1.00 0.00 N ATOM 93 CA LYS A 6 -1.630 5.288 8.170 1.00 0.00 C ATOM 94 C LYS A 6 -0.366 5.354 7.314 1.00 0.00 C ATOM 95 O LYS A 6 0.193 4.324 6.942 1.00 0.00 O ATOM 96 CB LYS A 6 -1.262 4.967 9.620 1.00 0.00 C ATOM 97 CG LYS A 6 -2.239 5.538 10.635 1.00 0.00 C ATOM 98 CD LYS A 6 -3.540 4.752 10.659 1.00 0.00 C ATOM 99 CE LYS A 6 -4.741 5.670 10.821 1.00 0.00 C ATOM 100 NZ LYS A 6 -5.791 5.063 11.686 1.00 0.00 N ATOM 0 H LYS A 6 -2.275 3.323 7.814 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.123 6.260 8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.214 3.885 9.743 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.265 5.356 9.828 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.786 5.524 11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.447 6.581 10.395 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.639 4.181 9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.517 4.033 11.478 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.418 6.618 11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.162 5.893 9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.593 5.720 11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.118 4.171 11.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.397 4.873 12.629 1.00 0.00 H new ATOM 114 N THR A 7 0.076 6.569 6.998 1.00 0.00 N ATOM 115 CA THR A 7 1.270 6.750 6.180 1.00 0.00 C ATOM 116 C THR A 7 2.504 7.075 7.051 1.00 0.00 C ATOM 117 O THR A 7 2.605 6.587 8.177 1.00 0.00 O ATOM 118 CB THR A 7 1.021 7.823 5.112 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.369 8.036 4.932 1.00 0.00 O ATOM 120 CG2 THR A 7 1.603 7.447 3.763 1.00 0.00 C ATOM 0 H THR A 7 -0.372 7.436 7.294 1.00 0.00 H new ATOM 0 HA THR A 7 1.487 5.812 5.669 1.00 0.00 H new ATOM 0 HB THR A 7 1.513 8.726 5.475 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.740 8.468 5.730 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.398 8.241 3.044 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.680 7.311 3.857 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.149 6.518 3.417 1.00 0.00 H new ATOM 128 N LEU A 8 3.444 7.884 6.537 1.00 0.00 N ATOM 129 CA LEU A 8 4.648 8.239 7.279 1.00 0.00 C ATOM 130 C LEU A 8 4.307 9.128 8.467 1.00 0.00 C ATOM 131 O LEU A 8 4.675 8.833 9.604 1.00 0.00 O ATOM 132 CB LEU A 8 5.684 8.905 6.349 1.00 0.00 C ATOM 133 CG LEU A 8 6.592 9.949 7.006 1.00 0.00 C ATOM 134 CD1 LEU A 8 7.440 9.309 8.094 1.00 0.00 C ATOM 135 CD2 LEU A 8 7.475 10.619 5.963 1.00 0.00 C ATOM 0 H LEU A 8 3.386 8.302 5.608 1.00 0.00 H new ATOM 0 HA LEU A 8 5.096 7.326 7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.311 8.125 5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.152 9.380 5.524 1.00 0.00 H new ATOM 0 HG LEU A 8 5.964 10.712 7.466 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.079 10.066 8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.790 8.877 8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.060 8.525 7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.114 11.358 6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.095 9.868 5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.849 11.112 5.219 1.00 0.00 H new ATOM 147 N THR A 9 3.606 10.226 8.190 1.00 0.00 N ATOM 148 CA THR A 9 3.222 11.163 9.232 1.00 0.00 C ATOM 149 C THR A 9 1.756 10.977 9.635 1.00 0.00 C ATOM 150 O THR A 9 1.049 11.949 9.893 1.00 0.00 O ATOM 151 CB THR A 9 3.464 12.599 8.766 1.00 0.00 C ATOM 152 OG1 THR A 9 2.989 12.784 7.443 1.00 0.00 O ATOM 153 CG2 THR A 9 4.926 12.994 8.791 1.00 0.00 C ATOM 0 H THR A 9 3.295 10.484 7.253 1.00 0.00 H new ATOM 0 HA THR A 9 3.839 10.963 10.108 1.00 0.00 H new ATOM 0 HB THR A 9 2.921 13.229 9.470 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.151 13.709 7.164 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.031 14.024 8.449 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.309 12.909 9.808 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.492 12.334 8.134 1.00 0.00 H new ATOM 161 N GLY A 10 1.306 9.723 9.699 1.00 0.00 N ATOM 162 CA GLY A 10 -0.065 9.444 10.083 1.00 0.00 C ATOM 163 C GLY A 10 -1.086 10.169 9.221 1.00 0.00 C ATOM 164 O GLY A 10 -2.109 10.632 9.726 1.00 0.00 O ATOM 0 H GLY A 10 1.869 8.898 9.491 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.242 8.370 10.020 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.209 9.730 11.125 1.00 0.00 H new ATOM 168 N LYS A 11 -0.821 10.265 7.919 1.00 0.00 N ATOM 169 CA LYS A 11 -1.744 10.934 7.007 1.00 0.00 C ATOM 170 C LYS A 11 -2.842 9.974 6.556 1.00 0.00 C ATOM 171 O LYS A 11 -2.586 8.792 6.326 1.00 0.00 O ATOM 172 CB LYS A 11 -1.000 11.490 5.789 1.00 0.00 C ATOM 173 CG LYS A 11 -1.622 12.757 5.224 1.00 0.00 C ATOM 174 CD LYS A 11 -1.183 13.000 3.789 1.00 0.00 C ATOM 175 CE LYS A 11 0.323 13.182 3.688 1.00 0.00 C ATOM 176 NZ LYS A 11 0.886 12.498 2.491 1.00 0.00 N ATOM 0 H LYS A 11 0.018 9.891 7.476 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.202 11.766 7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.034 11.695 6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.975 10.728 5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.708 12.680 5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.339 13.609 5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.491 12.160 3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.684 13.886 3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.558 14.245 3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.797 12.789 4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.915 12.646 2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.684 11.479 2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.452 12.890 1.631 1.00 0.00 H new ATOM 190 N THR A 12 -4.068 10.483 6.434 1.00 0.00 N ATOM 191 CA THR A 12 -5.196 9.656 6.015 1.00 0.00 C ATOM 192 C THR A 12 -5.397 9.724 4.502 1.00 0.00 C ATOM 193 O THR A 12 -5.599 10.802 3.944 1.00 0.00 O ATOM 194 CB THR A 12 -6.475 10.095 6.733 1.00 0.00 C ATOM 195 OG1 THR A 12 -7.536 9.196 6.460 1.00 0.00 O ATOM 196 CG2 THR A 12 -6.937 11.482 6.341 1.00 0.00 C ATOM 0 H THR A 12 -4.303 11.458 6.618 1.00 0.00 H new ATOM 0 HA THR A 12 -4.972 8.624 6.285 1.00 0.00 H new ATOM 0 HB THR A 12 -6.223 10.100 7.794 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.344 9.492 6.929 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.848 11.730 6.886 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.160 12.207 6.584 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.137 11.510 5.270 1.00 0.00 H new ATOM 204 N ILE A 13 -5.344 8.567 3.844 1.00 0.00 N ATOM 205 CA ILE A 13 -5.524 8.503 2.398 1.00 0.00 C ATOM 206 C ILE A 13 -6.640 7.527 2.029 1.00 0.00 C ATOM 207 O ILE A 13 -6.721 6.429 2.580 1.00 0.00 O ATOM 208 CB ILE A 13 -4.226 8.073 1.690 1.00 0.00 C ATOM 209 CG1 ILE A 13 -3.689 6.777 2.300 1.00 0.00 C ATOM 210 CG2 ILE A 13 -3.183 9.178 1.777 1.00 0.00 C ATOM 211 CD1 ILE A 13 -3.096 5.829 1.281 1.00 0.00 C ATOM 0 H ILE A 13 -5.178 7.664 4.289 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.794 9.505 2.065 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.448 7.891 0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.929 7.022 3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.498 6.271 2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.271 8.859 1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.567 10.079 1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.963 9.389 2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.736 4.932 1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.859 5.554 0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.266 6.317 0.770 1.00 0.00 H new ATOM 223 N THR A 14 -7.499 7.932 1.095 1.00 0.00 N ATOM 224 CA THR A 14 -8.606 7.085 0.662 1.00 0.00 C ATOM 225 C THR A 14 -8.263 6.363 -0.639 1.00 0.00 C ATOM 226 O THR A 14 -7.812 6.985 -1.602 1.00 0.00 O ATOM 227 CB THR A 14 -9.874 7.919 0.477 1.00 0.00 C ATOM 228 OG1 THR A 14 -9.551 9.244 0.095 1.00 0.00 O ATOM 229 CG2 THR A 14 -10.727 7.996 1.726 1.00 0.00 C ATOM 0 H THR A 14 -7.449 8.837 0.626 1.00 0.00 H new ATOM 0 HA THR A 14 -8.782 6.338 1.436 1.00 0.00 H new ATOM 0 HB THR A 14 -10.443 7.411 -0.302 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.375 9.761 -0.020 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.611 8.602 1.526 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.034 6.992 2.019 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.151 8.449 2.533 1.00 0.00 H new ATOM 237 N LEU A 15 -8.477 5.048 -0.664 1.00 0.00 N ATOM 238 CA LEU A 15 -8.188 4.253 -1.852 1.00 0.00 C ATOM 239 C LEU A 15 -9.294 3.232 -2.108 1.00 0.00 C ATOM 240 O LEU A 15 -9.964 2.785 -1.178 1.00 0.00 O ATOM 241 CB LEU A 15 -6.843 3.538 -1.701 1.00 0.00 C ATOM 242 CG LEU A 15 -6.690 2.704 -0.427 1.00 0.00 C ATOM 243 CD1 LEU A 15 -7.233 1.300 -0.641 1.00 0.00 C ATOM 244 CD2 LEU A 15 -5.231 2.653 0.003 1.00 0.00 C ATOM 0 H LEU A 15 -8.848 4.515 0.122 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.138 4.929 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.697 2.887 -2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.048 4.283 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.267 3.178 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.116 0.721 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.290 1.355 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.683 0.816 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.140 2.056 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.634 2.202 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.873 3.664 0.196 1.00 0.00 H new ATOM 256 N GLU A 16 -9.482 2.866 -3.376 1.00 0.00 N ATOM 257 CA GLU A 16 -10.509 1.898 -3.745 1.00 0.00 C ATOM 258 C GLU A 16 -9.898 0.518 -3.984 1.00 0.00 C ATOM 259 O GLU A 16 -8.712 0.401 -4.287 1.00 0.00 O ATOM 260 CB GLU A 16 -11.251 2.364 -5.000 1.00 0.00 C ATOM 261 CG GLU A 16 -12.376 1.433 -5.422 1.00 0.00 C ATOM 262 CD GLU A 16 -13.105 1.925 -6.657 1.00 0.00 C ATOM 263 OE1 GLU A 16 -12.469 2.007 -7.729 1.00 0.00 O ATOM 264 OE2 GLU A 16 -14.313 2.227 -6.553 1.00 0.00 O ATOM 0 H GLU A 16 -8.938 3.225 -4.160 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.216 1.824 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.661 3.358 -4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.539 2.455 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.969 0.441 -5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.086 1.331 -4.601 1.00 0.00 H new ATOM 271 N VAL A 17 -10.715 -0.526 -3.843 1.00 0.00 N ATOM 272 CA VAL A 17 -10.247 -1.891 -4.045 1.00 0.00 C ATOM 273 C VAL A 17 -11.251 -2.702 -4.862 1.00 0.00 C ATOM 274 O VAL A 17 -12.361 -2.972 -4.404 1.00 0.00 O ATOM 275 CB VAL A 17 -10.000 -2.604 -2.702 1.00 0.00 C ATOM 276 CG1 VAL A 17 -9.341 -3.956 -2.926 1.00 0.00 C ATOM 277 CG2 VAL A 17 -9.152 -1.735 -1.785 1.00 0.00 C ATOM 0 H VAL A 17 -11.700 -0.450 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.306 -1.825 -4.592 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.963 -2.772 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.175 -4.443 -1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.989 -4.579 -3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.386 -3.816 -3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.988 -2.255 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.192 -1.533 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.668 -0.794 -1.596 1.00 0.00 H new ATOM 287 N GLU A 18 -10.857 -3.090 -6.074 1.00 0.00 N ATOM 288 CA GLU A 18 -11.729 -3.868 -6.946 1.00 0.00 C ATOM 289 C GLU A 18 -11.258 -5.319 -7.032 1.00 0.00 C ATOM 290 O GLU A 18 -10.138 -5.642 -6.638 1.00 0.00 O ATOM 291 CB GLU A 18 -11.771 -3.248 -8.345 1.00 0.00 C ATOM 292 CG GLU A 18 -13.050 -2.475 -8.628 1.00 0.00 C ATOM 293 CD GLU A 18 -12.983 -1.040 -8.143 1.00 0.00 C ATOM 294 OE1 GLU A 18 -13.263 -0.803 -6.949 1.00 0.00 O ATOM 295 OE2 GLU A 18 -12.652 -0.153 -8.957 1.00 0.00 O ATOM 0 H GLU A 18 -9.942 -2.878 -6.472 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.733 -3.855 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.918 -2.580 -8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.662 -4.038 -9.088 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.246 -2.484 -9.700 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.889 -2.979 -8.147 1.00 0.00 H new ATOM 302 N PRO A 19 -12.113 -6.216 -7.554 1.00 0.00 N ATOM 303 CA PRO A 19 -11.781 -7.639 -7.693 1.00 0.00 C ATOM 304 C PRO A 19 -10.643 -7.881 -8.685 1.00 0.00 C ATOM 305 O PRO A 19 -9.885 -8.840 -8.545 1.00 0.00 O ATOM 306 CB PRO A 19 -13.080 -8.266 -8.207 1.00 0.00 C ATOM 307 CG PRO A 19 -13.823 -7.142 -8.842 1.00 0.00 C ATOM 308 CD PRO A 19 -13.468 -5.915 -8.052 1.00 0.00 C ATOM 0 HA PRO A 19 -11.432 -8.064 -6.752 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.878 -9.061 -8.924 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.654 -8.709 -7.393 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.540 -7.028 -9.888 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.898 -7.323 -8.821 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.479 -5.019 -8.673 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.169 -5.745 -7.235 1.00 0.00 H new ATOM 316 N SER A 20 -10.525 -7.010 -9.690 1.00 0.00 N ATOM 317 CA SER A 20 -9.473 -7.147 -10.695 1.00 0.00 C ATOM 318 C SER A 20 -8.129 -6.639 -10.164 1.00 0.00 C ATOM 319 O SER A 20 -7.077 -7.158 -10.533 1.00 0.00 O ATOM 320 CB SER A 20 -9.848 -6.389 -11.971 1.00 0.00 C ATOM 321 OG SER A 20 -9.817 -4.988 -11.762 1.00 0.00 O ATOM 0 H SER A 20 -11.141 -6.209 -9.828 1.00 0.00 H new ATOM 0 HA SER A 20 -9.372 -8.207 -10.926 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.158 -6.655 -12.772 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.844 -6.689 -12.296 1.00 0.00 H new ATOM 0 HG SER A 20 -10.059 -4.528 -12.593 1.00 0.00 H new ATOM 327 N ASP A 21 -8.166 -5.624 -9.299 1.00 0.00 N ATOM 328 CA ASP A 21 -6.940 -5.065 -8.735 1.00 0.00 C ATOM 329 C ASP A 21 -6.227 -6.096 -7.862 1.00 0.00 C ATOM 330 O ASP A 21 -6.795 -6.597 -6.891 1.00 0.00 O ATOM 331 CB ASP A 21 -7.246 -3.809 -7.913 1.00 0.00 C ATOM 332 CG ASP A 21 -7.526 -2.601 -8.786 1.00 0.00 C ATOM 333 OD1 ASP A 21 -7.842 -2.792 -9.979 1.00 0.00 O ATOM 334 OD2 ASP A 21 -7.430 -1.466 -8.276 1.00 0.00 O ATOM 0 H ASP A 21 -9.024 -5.177 -8.977 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.284 -4.793 -9.562 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.107 -3.998 -7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.402 -3.593 -7.258 1.00 0.00 H new ATOM 339 N THR A 22 -4.981 -6.413 -8.213 1.00 0.00 N ATOM 340 CA THR A 22 -4.201 -7.387 -7.456 1.00 0.00 C ATOM 341 C THR A 22 -3.505 -6.727 -6.268 1.00 0.00 C ATOM 342 O THR A 22 -3.156 -5.548 -6.319 1.00 0.00 O ATOM 343 CB THR A 22 -3.164 -8.062 -8.359 1.00 0.00 C ATOM 344 OG1 THR A 22 -3.549 -7.979 -9.724 1.00 0.00 O ATOM 345 CG2 THR A 22 -2.942 -9.524 -8.028 1.00 0.00 C ATOM 0 H THR A 22 -4.493 -6.011 -9.013 1.00 0.00 H new ATOM 0 HA THR A 22 -4.888 -8.144 -7.077 1.00 0.00 H new ATOM 0 HB THR A 22 -2.234 -7.522 -8.182 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.871 -8.415 -10.282 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.196 -9.941 -8.705 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.591 -9.615 -7.000 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.879 -10.069 -8.141 1.00 0.00 H new ATOM 353 N ILE A 23 -3.302 -7.494 -5.197 1.00 0.00 N ATOM 354 CA ILE A 23 -2.644 -6.976 -4.000 1.00 0.00 C ATOM 355 C ILE A 23 -1.166 -6.669 -4.259 1.00 0.00 C ATOM 356 O ILE A 23 -0.593 -5.783 -3.625 1.00 0.00 O ATOM 357 CB ILE A 23 -2.759 -7.957 -2.814 1.00 0.00 C ATOM 358 CG1 ILE A 23 -2.198 -7.323 -1.540 1.00 0.00 C ATOM 359 CG2 ILE A 23 -2.037 -9.262 -3.123 1.00 0.00 C ATOM 360 CD1 ILE A 23 -2.934 -7.735 -0.284 1.00 0.00 C ATOM 0 H ILE A 23 -3.583 -8.473 -5.135 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.160 -6.051 -3.742 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.814 -8.180 -2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.147 -7.595 -1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.239 -6.238 -1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.130 -9.939 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.480 -9.723 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.983 -9.059 -3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.482 -7.247 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.980 -7.439 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.871 -8.817 -0.164 1.00 0.00 H new ATOM 372 N GLU A 24 -0.548 -7.405 -5.187 1.00 0.00 N ATOM 373 CA GLU A 24 0.864 -7.195 -5.508 1.00 0.00 C ATOM 374 C GLU A 24 1.140 -5.730 -5.844 1.00 0.00 C ATOM 375 O GLU A 24 1.931 -5.069 -5.172 1.00 0.00 O ATOM 376 CB GLU A 24 1.291 -8.085 -6.679 1.00 0.00 C ATOM 377 CG GLU A 24 2.785 -8.050 -6.956 1.00 0.00 C ATOM 378 CD GLU A 24 3.183 -6.898 -7.857 1.00 0.00 C ATOM 379 OE1 GLU A 24 2.422 -6.588 -8.797 1.00 0.00 O ATOM 380 OE2 GLU A 24 4.258 -6.307 -7.624 1.00 0.00 O ATOM 0 H GLU A 24 -1.000 -8.145 -5.724 1.00 0.00 H new ATOM 0 HA GLU A 24 1.446 -7.465 -4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.992 -9.113 -6.471 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.756 -7.773 -7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.324 -7.971 -6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.087 -8.990 -7.418 1.00 0.00 H new ATOM 387 N ASN A 25 0.479 -5.224 -6.885 1.00 0.00 N ATOM 388 CA ASN A 25 0.648 -3.832 -7.308 1.00 0.00 C ATOM 389 C ASN A 25 -0.066 -2.858 -6.364 1.00 0.00 C ATOM 390 O ASN A 25 -0.731 -1.926 -6.816 1.00 0.00 O ATOM 391 CB ASN A 25 0.132 -3.643 -8.738 1.00 0.00 C ATOM 392 CG ASN A 25 1.192 -3.953 -9.781 1.00 0.00 C ATOM 393 OD1 ASN A 25 2.345 -3.543 -9.648 1.00 0.00 O ATOM 394 ND2 ASN A 25 0.810 -4.681 -10.828 1.00 0.00 N ATOM 0 H ASN A 25 -0.180 -5.757 -7.452 1.00 0.00 H new ATOM 0 HA ASN A 25 1.715 -3.609 -7.275 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.731 -4.289 -8.898 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.210 -2.616 -8.865 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.483 -4.918 -11.557 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.155 -5.002 -10.901 1.00 0.00 H new ATOM 401 N VAL A 26 0.069 -3.070 -5.057 1.00 0.00 N ATOM 402 CA VAL A 26 -0.572 -2.198 -4.077 1.00 0.00 C ATOM 403 C VAL A 26 0.071 -0.811 -4.069 1.00 0.00 C ATOM 404 O VAL A 26 -0.623 0.200 -3.962 1.00 0.00 O ATOM 405 CB VAL A 26 -0.512 -2.794 -2.652 1.00 0.00 C ATOM 406 CG1 VAL A 26 0.927 -2.905 -2.167 1.00 0.00 C ATOM 407 CG2 VAL A 26 -1.342 -1.957 -1.690 1.00 0.00 C ATOM 0 H VAL A 26 0.613 -3.833 -4.654 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.617 -2.110 -4.375 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.932 -3.799 -2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.941 -3.327 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.489 -3.552 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.383 -1.915 -2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.289 -2.391 -0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.953 -0.939 -1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.380 -1.941 -2.024 1.00 0.00 H new ATOM 417 N LYS A 27 1.399 -0.766 -4.184 1.00 0.00 N ATOM 418 CA LYS A 27 2.118 0.506 -4.190 1.00 0.00 C ATOM 419 C LYS A 27 1.769 1.321 -5.434 1.00 0.00 C ATOM 420 O LYS A 27 1.524 2.524 -5.348 1.00 0.00 O ATOM 421 CB LYS A 27 3.631 0.272 -4.128 1.00 0.00 C ATOM 422 CG LYS A 27 4.070 -0.541 -2.920 1.00 0.00 C ATOM 423 CD LYS A 27 4.603 -1.906 -3.326 1.00 0.00 C ATOM 424 CE LYS A 27 4.666 -2.855 -2.140 1.00 0.00 C ATOM 425 NZ LYS A 27 5.341 -4.134 -2.488 1.00 0.00 N ATOM 0 H LYS A 27 1.994 -1.590 -4.274 1.00 0.00 H new ATOM 0 HA LYS A 27 1.812 1.068 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.949 -0.241 -5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.139 1.236 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.841 0.004 -2.375 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.228 -0.667 -2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.964 -2.331 -4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.598 -1.796 -3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.199 -2.375 -1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.656 -3.062 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.363 -4.753 -1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.819 -4.605 -3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.314 -3.939 -2.801 1.00 0.00 H new ATOM 439 N ALA A 28 1.748 0.660 -6.590 1.00 0.00 N ATOM 440 CA ALA A 28 1.426 1.334 -7.846 1.00 0.00 C ATOM 441 C ALA A 28 -0.003 1.875 -7.828 1.00 0.00 C ATOM 442 O ALA A 28 -0.260 2.983 -8.300 1.00 0.00 O ATOM 443 CB ALA A 28 1.619 0.391 -9.027 1.00 0.00 C ATOM 0 H ALA A 28 1.949 -0.336 -6.683 1.00 0.00 H new ATOM 0 HA ALA A 28 2.108 2.177 -7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.374 0.912 -9.952 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.657 0.059 -9.061 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.965 -0.473 -8.913 1.00 0.00 H new ATOM 449 N LYS A 29 -0.930 1.090 -7.282 1.00 0.00 N ATOM 450 CA LYS A 29 -2.330 1.503 -7.209 1.00 0.00 C ATOM 451 C LYS A 29 -2.488 2.737 -6.321 1.00 0.00 C ATOM 452 O LYS A 29 -3.247 3.650 -6.645 1.00 0.00 O ATOM 453 CB LYS A 29 -3.204 0.362 -6.676 1.00 0.00 C ATOM 454 CG LYS A 29 -4.563 0.271 -7.352 1.00 0.00 C ATOM 455 CD LYS A 29 -5.685 0.670 -6.407 1.00 0.00 C ATOM 456 CE LYS A 29 -5.603 2.142 -6.036 1.00 0.00 C ATOM 457 NZ LYS A 29 -6.853 2.621 -5.386 1.00 0.00 N ATOM 0 H LYS A 29 -0.739 0.170 -6.886 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.657 1.755 -8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.676 -0.582 -6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.349 0.496 -5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.578 0.918 -8.229 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.728 -0.747 -7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.647 0.465 -6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.635 0.062 -5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.760 2.300 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.411 2.732 -6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.618 3.328 -4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.473 3.051 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.342 1.818 -4.941 1.00 0.00 H new ATOM 471 N ILE A 30 -1.768 2.761 -5.199 1.00 0.00 N ATOM 472 CA ILE A 30 -1.837 3.888 -4.275 1.00 0.00 C ATOM 473 C ILE A 30 -1.075 5.093 -4.825 1.00 0.00 C ATOM 474 O ILE A 30 -1.549 6.226 -4.742 1.00 0.00 O ATOM 475 CB ILE A 30 -1.275 3.522 -2.885 1.00 0.00 C ATOM 476 CG1 ILE A 30 -1.993 2.289 -2.332 1.00 0.00 C ATOM 477 CG2 ILE A 30 -1.416 4.695 -1.925 1.00 0.00 C ATOM 478 CD1 ILE A 30 -1.207 1.561 -1.262 1.00 0.00 C ATOM 0 H ILE A 30 -1.134 2.016 -4.911 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.891 4.144 -4.168 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.215 3.291 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.956 2.593 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.199 1.601 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.014 4.418 -0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.866 5.552 -2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.469 4.957 -1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.776 0.698 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.255 1.226 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.023 2.234 -0.424 1.00 0.00 H new ATOM 490 N GLN A 31 0.107 4.846 -5.391 1.00 0.00 N ATOM 491 CA GLN A 31 0.922 5.922 -5.956 1.00 0.00 C ATOM 492 C GLN A 31 0.130 6.724 -6.988 1.00 0.00 C ATOM 493 O GLN A 31 0.263 7.945 -7.072 1.00 0.00 O ATOM 494 CB GLN A 31 2.192 5.356 -6.601 1.00 0.00 C ATOM 495 CG GLN A 31 3.199 6.423 -6.997 1.00 0.00 C ATOM 496 CD GLN A 31 4.576 5.849 -7.281 1.00 0.00 C ATOM 497 OE1 GLN A 31 4.711 4.669 -7.606 1.00 0.00 O ATOM 498 NE2 GLN A 31 5.610 6.680 -7.160 1.00 0.00 N ATOM 0 H GLN A 31 0.519 3.916 -5.470 1.00 0.00 H new ATOM 0 HA GLN A 31 1.205 6.588 -5.141 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.665 4.662 -5.906 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.916 4.782 -7.486 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.838 6.947 -7.882 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.274 7.161 -6.198 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.455 7.651 -6.888 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.557 6.345 -7.339 1.00 0.00 H new ATOM 507 N ASP A 32 -0.698 6.031 -7.772 1.00 0.00 N ATOM 508 CA ASP A 32 -1.515 6.683 -8.796 1.00 0.00 C ATOM 509 C ASP A 32 -2.497 7.697 -8.194 1.00 0.00 C ATOM 510 O ASP A 32 -3.044 8.530 -8.915 1.00 0.00 O ATOM 511 CB ASP A 32 -2.288 5.640 -9.609 1.00 0.00 C ATOM 512 CG ASP A 32 -2.339 5.981 -11.085 1.00 0.00 C ATOM 513 OD1 ASP A 32 -1.428 5.552 -11.825 1.00 0.00 O ATOM 514 OD2 ASP A 32 -3.289 6.675 -11.502 1.00 0.00 O ATOM 0 H ASP A 32 -0.820 5.020 -7.717 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.832 7.225 -9.450 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.821 4.664 -9.480 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.304 5.561 -9.222 1.00 0.00 H new ATOM 519 N LYS A 33 -2.731 7.629 -6.879 1.00 0.00 N ATOM 520 CA LYS A 33 -3.658 8.552 -6.229 1.00 0.00 C ATOM 521 C LYS A 33 -3.042 9.941 -6.083 1.00 0.00 C ATOM 522 O LYS A 33 -3.742 10.948 -6.175 1.00 0.00 O ATOM 523 CB LYS A 33 -4.073 8.020 -4.853 1.00 0.00 C ATOM 524 CG LYS A 33 -5.054 6.862 -4.919 1.00 0.00 C ATOM 525 CD LYS A 33 -6.492 7.352 -4.976 1.00 0.00 C ATOM 526 CE LYS A 33 -7.354 6.450 -5.844 1.00 0.00 C ATOM 527 NZ LYS A 33 -8.496 7.187 -6.450 1.00 0.00 N ATOM 0 H LYS A 33 -2.295 6.952 -6.253 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.542 8.632 -6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.182 7.700 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.520 8.832 -4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.841 6.253 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.921 6.221 -4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.904 7.391 -3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.516 8.368 -5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.742 6.015 -6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.733 5.623 -5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.059 6.536 -7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.094 7.581 -5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.134 7.960 -7.044 1.00 0.00 H new ATOM 541 N GLU A 34 -1.731 9.994 -5.851 1.00 0.00 N ATOM 542 CA GLU A 34 -1.046 11.274 -5.693 1.00 0.00 C ATOM 543 C GLU A 34 0.473 11.110 -5.753 1.00 0.00 C ATOM 544 O GLU A 34 1.159 11.874 -6.431 1.00 0.00 O ATOM 545 CB GLU A 34 -1.444 11.926 -4.368 1.00 0.00 C ATOM 546 CG GLU A 34 -1.541 13.442 -4.442 1.00 0.00 C ATOM 547 CD GLU A 34 -2.089 14.053 -3.168 1.00 0.00 C ATOM 548 OE1 GLU A 34 -1.284 14.357 -2.262 1.00 0.00 O ATOM 549 OE2 GLU A 34 -3.322 14.228 -3.075 1.00 0.00 O ATOM 0 H GLU A 34 -1.129 9.175 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.350 11.915 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.405 11.524 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.715 11.653 -3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.553 13.856 -4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.181 13.721 -5.279 1.00 0.00 H new ATOM 556 N GLY A 35 0.995 10.113 -5.040 1.00 0.00 N ATOM 557 CA GLY A 35 2.427 9.885 -5.034 1.00 0.00 C ATOM 558 C GLY A 35 2.956 9.580 -3.646 1.00 0.00 C ATOM 559 O GLY A 35 3.498 10.459 -2.976 1.00 0.00 O ATOM 0 H GLY A 35 0.453 9.464 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.663 9.056 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.934 10.765 -5.428 1.00 0.00 H new ATOM 563 N ILE A 36 2.795 8.333 -3.209 1.00 0.00 N ATOM 564 CA ILE A 36 3.260 7.920 -1.888 1.00 0.00 C ATOM 565 C ILE A 36 4.771 7.680 -1.886 1.00 0.00 C ATOM 566 O ILE A 36 5.259 6.756 -2.537 1.00 0.00 O ATOM 567 CB ILE A 36 2.542 6.638 -1.413 1.00 0.00 C ATOM 568 CG1 ILE A 36 2.961 6.289 0.015 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.836 5.478 -2.356 1.00 0.00 C ATOM 570 CD1 ILE A 36 1.923 5.490 0.771 1.00 0.00 C ATOM 0 H ILE A 36 2.347 7.593 -3.749 1.00 0.00 H new ATOM 0 HA ILE A 36 3.024 8.732 -1.201 1.00 0.00 H new ATOM 0 HB ILE A 36 1.468 6.822 -1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.892 5.723 -0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.167 7.210 0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.321 4.584 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.488 5.727 -3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.910 5.292 -2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.288 5.278 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.998 6.063 0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.734 4.552 0.249 1.00 0.00 H new ATOM 582 N PRO A 37 5.537 8.517 -1.158 1.00 0.00 N ATOM 583 CA PRO A 37 6.998 8.393 -1.085 1.00 0.00 C ATOM 584 C PRO A 37 7.467 6.995 -0.674 1.00 0.00 C ATOM 585 O PRO A 37 8.315 6.405 -1.343 1.00 0.00 O ATOM 586 CB PRO A 37 7.398 9.427 -0.028 1.00 0.00 C ATOM 587 CG PRO A 37 6.291 10.423 -0.031 1.00 0.00 C ATOM 588 CD PRO A 37 5.041 9.655 -0.358 1.00 0.00 C ATOM 0 HA PRO A 37 7.457 8.558 -2.060 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.512 8.966 0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.351 9.895 -0.273 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.205 10.913 0.939 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.472 11.205 -0.768 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.529 9.319 0.543 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.332 10.262 -0.920 1.00 0.00 H new ATOM 596 N PRO A 38 6.935 6.438 0.434 1.00 0.00 N ATOM 597 CA PRO A 38 7.334 5.108 0.902 1.00 0.00 C ATOM 598 C PRO A 38 6.931 4.003 -0.074 1.00 0.00 C ATOM 599 O PRO A 38 5.870 3.397 0.064 1.00 0.00 O ATOM 600 CB PRO A 38 6.598 4.947 2.235 1.00 0.00 C ATOM 601 CG PRO A 38 5.462 5.907 2.172 1.00 0.00 C ATOM 602 CD PRO A 38 5.921 7.052 1.311 1.00 0.00 C ATOM 0 HA PRO A 38 8.417 5.023 0.995 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.243 3.925 2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.254 5.168 3.077 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.576 5.433 1.749 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.192 6.255 3.169 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.098 7.477 0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.343 7.860 1.909 1.00 0.00 H new ATOM 610 N ASP A 39 7.789 3.747 -1.061 1.00 0.00 N ATOM 611 CA ASP A 39 7.524 2.715 -2.060 1.00 0.00 C ATOM 612 C ASP A 39 7.575 1.315 -1.444 1.00 0.00 C ATOM 613 O ASP A 39 7.010 0.371 -1.997 1.00 0.00 O ATOM 614 CB ASP A 39 8.529 2.810 -3.212 1.00 0.00 C ATOM 615 CG ASP A 39 8.043 3.711 -4.330 1.00 0.00 C ATOM 616 OD1 ASP A 39 8.213 4.942 -4.217 1.00 0.00 O ATOM 617 OD2 ASP A 39 7.493 3.184 -5.320 1.00 0.00 O ATOM 0 H ASP A 39 8.673 4.240 -1.189 1.00 0.00 H new ATOM 0 HA ASP A 39 6.519 2.884 -2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.479 3.187 -2.832 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.718 1.813 -3.609 1.00 0.00 H new ATOM 622 N GLN A 40 8.252 1.177 -0.301 1.00 0.00 N ATOM 623 CA GLN A 40 8.360 -0.117 0.363 1.00 0.00 C ATOM 624 C GLN A 40 7.371 -0.233 1.526 1.00 0.00 C ATOM 625 O GLN A 40 7.681 -0.840 2.551 1.00 0.00 O ATOM 626 CB GLN A 40 9.786 -0.333 0.873 1.00 0.00 C ATOM 627 CG GLN A 40 10.796 -0.593 -0.233 1.00 0.00 C ATOM 628 CD GLN A 40 12.230 -0.553 0.264 1.00 0.00 C ATOM 629 OE1 GLN A 40 12.951 -1.548 0.185 1.00 0.00 O ATOM 630 NE2 GLN A 40 12.654 0.598 0.782 1.00 0.00 N ATOM 0 H GLN A 40 8.729 1.941 0.178 1.00 0.00 H new ATOM 0 HA GLN A 40 8.116 -0.887 -0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.097 0.545 1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.792 -1.176 1.564 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.597 -1.567 -0.680 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.667 0.150 -1.020 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.024 1.399 0.829 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.609 0.679 1.132 1.00 0.00 H new ATOM 639 N GLN A 41 6.179 0.344 1.364 1.00 0.00 N ATOM 640 CA GLN A 41 5.161 0.285 2.409 1.00 0.00 C ATOM 641 C GLN A 41 4.303 -0.970 2.257 1.00 0.00 C ATOM 642 O GLN A 41 3.823 -1.272 1.164 1.00 0.00 O ATOM 643 CB GLN A 41 4.276 1.534 2.370 1.00 0.00 C ATOM 644 CG GLN A 41 3.504 1.695 1.069 1.00 0.00 C ATOM 645 CD GLN A 41 2.009 1.836 1.289 1.00 0.00 C ATOM 646 OE1 GLN A 41 1.346 2.605 0.428 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 1.453 1.261 2.225 1.00 0.00 N flip ATOM 0 H GLN A 41 5.898 0.853 0.526 1.00 0.00 H new ATOM 0 HA GLN A 41 5.668 0.245 3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.569 1.494 3.199 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.899 2.415 2.524 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.873 2.572 0.538 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.693 0.833 0.430 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.998 0.680 2.863 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.448 1.365 2.363 1.00 0.00 H new ATOM 656 N ARG A 42 4.116 -1.701 3.354 1.00 0.00 N ATOM 657 CA ARG A 42 3.319 -2.922 3.327 1.00 0.00 C ATOM 658 C ARG A 42 2.414 -3.014 4.554 1.00 0.00 C ATOM 659 O ARG A 42 2.560 -2.243 5.501 1.00 0.00 O ATOM 660 CB ARG A 42 4.230 -4.149 3.260 1.00 0.00 C ATOM 661 CG ARG A 42 4.871 -4.356 1.897 1.00 0.00 C ATOM 662 CD ARG A 42 6.320 -4.807 2.025 1.00 0.00 C ATOM 663 NE ARG A 42 7.103 -4.503 0.826 1.00 0.00 N ATOM 664 CZ ARG A 42 8.239 -5.121 0.506 1.00 0.00 C ATOM 665 NH1 ARG A 42 8.729 -6.071 1.293 1.00 0.00 N ATOM 666 NH2 ARG A 42 8.887 -4.787 -0.601 1.00 0.00 N ATOM 0 H ARG A 42 4.504 -1.469 4.268 1.00 0.00 H new ATOM 0 HA ARG A 42 2.690 -2.893 2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.015 -4.050 4.010 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.651 -5.036 3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.305 -5.100 1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.827 -3.427 1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.775 -4.320 2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.349 -5.880 2.213 1.00 0.00 H new ATOM 0 HE ARG A 42 6.759 -3.776 0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.235 -6.331 2.147 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.599 -6.541 1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.516 -4.056 -1.208 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.757 -5.261 -0.845 1.00 0.00 H new ATOM 680 N LEU A 43 1.479 -3.964 4.533 1.00 0.00 N ATOM 681 CA LEU A 43 0.558 -4.151 5.648 1.00 0.00 C ATOM 682 C LEU A 43 1.011 -5.303 6.542 1.00 0.00 C ATOM 683 O LEU A 43 1.659 -6.241 6.076 1.00 0.00 O ATOM 684 CB LEU A 43 -0.857 -4.418 5.130 1.00 0.00 C ATOM 685 CG LEU A 43 -1.529 -3.231 4.438 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.712 -3.699 3.604 1.00 0.00 C ATOM 687 CD2 LEU A 43 -1.971 -2.199 5.464 1.00 0.00 C ATOM 0 H LEU A 43 1.342 -4.613 3.758 1.00 0.00 H new ATOM 0 HA LEU A 43 0.554 -3.236 6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.820 -5.253 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.481 -4.731 5.967 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.804 -2.764 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.178 -2.841 3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.367 -4.401 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.440 -4.190 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.447 -1.361 4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.680 -2.654 6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.103 -1.841 6.018 1.00 0.00 H new ATOM 699 N ILE A 44 0.670 -5.229 7.828 1.00 0.00 N ATOM 700 CA ILE A 44 1.048 -6.270 8.777 1.00 0.00 C ATOM 701 C ILE A 44 -0.176 -7.057 9.247 1.00 0.00 C ATOM 702 O ILE A 44 -0.747 -6.765 10.298 1.00 0.00 O ATOM 703 CB ILE A 44 1.780 -5.676 10.000 1.00 0.00 C ATOM 704 CG1 ILE A 44 2.191 -6.786 10.970 1.00 0.00 C ATOM 705 CG2 ILE A 44 0.904 -4.645 10.702 1.00 0.00 C ATOM 706 CD1 ILE A 44 3.464 -6.484 11.731 1.00 0.00 C ATOM 0 H ILE A 44 0.135 -4.461 8.233 1.00 0.00 H new ATOM 0 HA ILE A 44 1.726 -6.946 8.257 1.00 0.00 H new ATOM 0 HB ILE A 44 2.682 -5.175 9.650 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.383 -6.953 11.682 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.322 -7.714 10.413 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.438 -4.238 11.561 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.664 -3.839 10.009 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.018 -5.120 11.039 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.694 -7.314 12.399 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.285 -6.347 11.027 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.331 -5.574 12.316 1.00 0.00 H new ATOM 718 N PHE A 45 -0.576 -8.057 8.464 1.00 0.00 N ATOM 719 CA PHE A 45 -1.732 -8.877 8.809 1.00 0.00 C ATOM 720 C PHE A 45 -1.593 -10.293 8.248 1.00 0.00 C ATOM 721 O PHE A 45 -1.270 -10.476 7.075 1.00 0.00 O ATOM 722 CB PHE A 45 -3.015 -8.234 8.280 1.00 0.00 C ATOM 723 CG PHE A 45 -4.216 -8.492 9.144 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.838 -9.730 9.136 1.00 0.00 C ATOM 725 CD2 PHE A 45 -4.724 -7.495 9.963 1.00 0.00 C ATOM 726 CE1 PHE A 45 -5.944 -9.971 9.930 1.00 0.00 C ATOM 727 CE2 PHE A 45 -5.829 -7.730 10.759 1.00 0.00 C ATOM 728 CZ PHE A 45 -6.440 -8.969 10.742 1.00 0.00 C ATOM 0 H PHE A 45 -0.118 -8.317 7.590 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.783 -8.942 9.896 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.864 -7.158 8.194 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.213 -8.609 7.276 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.455 -10.516 8.502 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.251 -6.524 9.979 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.419 -10.941 9.916 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.215 -6.946 11.394 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.304 -9.154 11.363 1.00 0.00 H new ATOM 738 N ALA A 46 -1.837 -11.291 9.096 1.00 0.00 N ATOM 739 CA ALA A 46 -1.738 -12.686 8.682 1.00 0.00 C ATOM 740 C ALA A 46 -0.326 -13.038 8.209 1.00 0.00 C ATOM 741 O ALA A 46 -0.148 -13.961 7.415 1.00 0.00 O ATOM 742 CB ALA A 46 -2.749 -12.977 7.581 1.00 0.00 C ATOM 0 H ALA A 46 -2.104 -11.158 10.071 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.960 -13.307 9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.667 -14.021 7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.756 -12.784 7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.549 -12.334 6.724 1.00 0.00 H new ATOM 748 N GLY A 47 0.678 -12.304 8.701 1.00 0.00 N ATOM 749 CA GLY A 47 2.055 -12.569 8.311 1.00 0.00 C ATOM 750 C GLY A 47 2.218 -12.796 6.817 1.00 0.00 C ATOM 751 O GLY A 47 3.022 -13.627 6.397 1.00 0.00 O ATOM 0 H GLY A 47 0.560 -11.534 9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.681 -11.730 8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.416 -13.447 8.847 1.00 0.00 H new ATOM 755 N LYS A 48 1.454 -12.059 6.009 1.00 0.00 N ATOM 756 CA LYS A 48 1.527 -12.196 4.560 1.00 0.00 C ATOM 757 C LYS A 48 2.162 -10.963 3.924 1.00 0.00 C ATOM 758 O LYS A 48 1.845 -9.831 4.293 1.00 0.00 O ATOM 759 CB LYS A 48 0.130 -12.422 3.978 1.00 0.00 C ATOM 760 CG LYS A 48 -0.393 -13.835 4.182 1.00 0.00 C ATOM 761 CD LYS A 48 0.207 -14.806 3.176 1.00 0.00 C ATOM 762 CE LYS A 48 1.095 -15.838 3.856 1.00 0.00 C ATOM 763 NZ LYS A 48 2.530 -15.445 3.821 1.00 0.00 N ATOM 0 H LYS A 48 0.781 -11.365 6.335 1.00 0.00 H new ATOM 0 HA LYS A 48 2.153 -13.059 4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.564 -11.717 4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.150 -12.201 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.159 -14.168 5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.479 -13.838 4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.593 -15.312 2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.789 -14.253 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.778 -15.964 4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.971 -16.803 3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.116 -16.287 3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.683 -14.755 3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.795 -15.018 4.731 1.00 0.00 H new ATOM 777 N GLN A 49 3.059 -11.184 2.964 1.00 0.00 N ATOM 778 CA GLN A 49 3.731 -10.084 2.281 1.00 0.00 C ATOM 779 C GLN A 49 2.932 -9.630 1.060 1.00 0.00 C ATOM 780 O GLN A 49 2.057 -10.351 0.580 1.00 0.00 O ATOM 781 CB GLN A 49 5.144 -10.498 1.859 1.00 0.00 C ATOM 782 CG GLN A 49 6.203 -9.453 2.170 1.00 0.00 C ATOM 783 CD GLN A 49 6.647 -9.487 3.622 1.00 0.00 C ATOM 784 OE1 GLN A 49 6.853 -10.558 4.192 1.00 0.00 O ATOM 785 NE2 GLN A 49 6.798 -8.313 4.230 1.00 0.00 N ATOM 0 H GLN A 49 3.335 -12.112 2.644 1.00 0.00 H new ATOM 0 HA GLN A 49 3.801 -9.249 2.978 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.406 -11.429 2.361 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.149 -10.701 0.788 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.067 -9.614 1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.811 -8.463 1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.617 -7.448 3.721 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.095 -8.278 5.205 1.00 0.00 H new ATOM 794 N LEU A 50 3.238 -8.432 0.559 1.00 0.00 N ATOM 795 CA LEU A 50 2.545 -7.887 -0.611 1.00 0.00 C ATOM 796 C LEU A 50 3.083 -8.454 -1.934 1.00 0.00 C ATOM 797 O LEU A 50 2.877 -7.853 -2.989 1.00 0.00 O ATOM 798 CB LEU A 50 2.653 -6.359 -0.626 1.00 0.00 C ATOM 799 CG LEU A 50 1.585 -5.624 0.187 1.00 0.00 C ATOM 800 CD1 LEU A 50 0.224 -5.751 -0.478 1.00 0.00 C ATOM 801 CD2 LEU A 50 1.537 -6.159 1.611 1.00 0.00 C ATOM 0 H LEU A 50 3.959 -7.822 0.943 1.00 0.00 H new ATOM 0 HA LEU A 50 1.500 -8.187 -0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.635 -6.076 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.600 -6.017 -1.660 1.00 0.00 H new ATOM 0 HG LEU A 50 1.849 -4.567 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.522 -5.222 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.266 -5.319 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.049 -6.804 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.772 -5.625 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.298 -7.222 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.507 -6.013 2.087 1.00 0.00 H new ATOM 813 N GLU A 51 3.771 -9.598 -1.893 1.00 0.00 N ATOM 814 CA GLU A 51 4.316 -10.197 -3.109 1.00 0.00 C ATOM 815 C GLU A 51 3.304 -11.139 -3.762 1.00 0.00 C ATOM 816 O GLU A 51 3.156 -11.150 -4.983 1.00 0.00 O ATOM 817 CB GLU A 51 5.612 -10.953 -2.798 1.00 0.00 C ATOM 818 CG GLU A 51 6.805 -10.472 -3.608 1.00 0.00 C ATOM 819 CD GLU A 51 8.093 -10.477 -2.807 1.00 0.00 C ATOM 820 OE1 GLU A 51 8.413 -11.524 -2.205 1.00 0.00 O ATOM 821 OE2 GLU A 51 8.780 -9.434 -2.781 1.00 0.00 O ATOM 0 H GLU A 51 3.961 -10.122 -1.039 1.00 0.00 H new ATOM 0 HA GLU A 51 4.534 -9.391 -3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.838 -10.849 -1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.458 -12.015 -2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.924 -11.108 -4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.610 -9.463 -3.970 1.00 0.00 H new ATOM 828 N ASP A 52 2.603 -11.927 -2.942 1.00 0.00 N ATOM 829 CA ASP A 52 1.609 -12.861 -3.439 1.00 0.00 C ATOM 830 C ASP A 52 0.683 -12.171 -4.423 1.00 0.00 C ATOM 831 O ASP A 52 -0.066 -11.270 -4.052 1.00 0.00 O ATOM 832 CB ASP A 52 0.793 -13.453 -2.285 1.00 0.00 C ATOM 833 CG ASP A 52 1.571 -14.488 -1.498 1.00 0.00 C ATOM 834 OD1 ASP A 52 2.531 -14.102 -0.798 1.00 0.00 O ATOM 835 OD2 ASP A 52 1.221 -15.684 -1.581 1.00 0.00 O ATOM 0 H ASP A 52 2.712 -11.931 -1.928 1.00 0.00 H new ATOM 0 HA ASP A 52 2.131 -13.672 -3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.481 -12.651 -1.616 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.114 -13.909 -2.682 1.00 0.00 H new ATOM 840 N GLY A 53 0.735 -12.594 -5.676 1.00 0.00 N ATOM 841 CA GLY A 53 -0.116 -11.998 -6.688 1.00 0.00 C ATOM 842 C GLY A 53 -1.581 -12.357 -6.500 1.00 0.00 C ATOM 843 O GLY A 53 -2.239 -12.800 -7.441 1.00 0.00 O ATOM 0 H GLY A 53 1.348 -13.337 -6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.004 -10.914 -6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.212 -12.327 -7.674 1.00 0.00 H new ATOM 847 N ARG A 54 -2.099 -12.171 -5.281 1.00 0.00 N ATOM 848 CA ARG A 54 -3.494 -12.486 -4.994 1.00 0.00 C ATOM 849 C ARG A 54 -4.332 -11.213 -4.898 1.00 0.00 C ATOM 850 O ARG A 54 -3.818 -10.109 -5.076 1.00 0.00 O ATOM 851 CB ARG A 54 -3.600 -13.282 -3.692 1.00 0.00 C ATOM 852 CG ARG A 54 -2.649 -14.466 -3.624 1.00 0.00 C ATOM 853 CD ARG A 54 -3.335 -15.758 -4.039 1.00 0.00 C ATOM 854 NE ARG A 54 -2.469 -16.609 -4.856 1.00 0.00 N ATOM 855 CZ ARG A 54 -2.921 -17.561 -5.672 1.00 0.00 C ATOM 856 NH1 ARG A 54 -4.225 -17.789 -5.779 1.00 0.00 N ATOM 857 NH2 ARG A 54 -2.069 -18.288 -6.382 1.00 0.00 N ATOM 0 H ARG A 54 -1.574 -11.807 -4.486 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.881 -13.091 -5.814 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.400 -12.617 -2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.623 -13.641 -3.578 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.792 -14.283 -4.273 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.264 -14.567 -2.609 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.643 -16.306 -3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.241 -15.523 -4.598 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.461 -16.465 -4.798 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.886 -17.234 -5.235 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.565 -18.519 -6.405 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.066 -18.119 -6.304 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.417 -19.016 -7.006 1.00 0.00 H new ATOM 871 N THR A 55 -5.624 -11.370 -4.612 1.00 0.00 N ATOM 872 CA THR A 55 -6.522 -10.226 -4.492 1.00 0.00 C ATOM 873 C THR A 55 -6.648 -9.787 -3.035 1.00 0.00 C ATOM 874 O THR A 55 -6.552 -10.607 -2.122 1.00 0.00 O ATOM 875 CB THR A 55 -7.902 -10.570 -5.056 1.00 0.00 C ATOM 876 OG1 THR A 55 -7.785 -11.195 -6.322 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.798 -9.362 -5.222 1.00 0.00 C ATOM 0 H THR A 55 -6.069 -12.275 -4.460 1.00 0.00 H new ATOM 0 HA THR A 55 -6.100 -9.402 -5.067 1.00 0.00 H new ATOM 0 HB THR A 55 -8.354 -11.240 -4.325 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.678 -11.409 -6.665 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.761 -9.676 -5.626 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.949 -8.885 -4.254 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.331 -8.654 -5.906 1.00 0.00 H new ATOM 885 N LEU A 56 -6.862 -8.489 -2.822 1.00 0.00 N ATOM 886 CA LEU A 56 -6.998 -7.953 -1.468 1.00 0.00 C ATOM 887 C LEU A 56 -8.091 -8.691 -0.694 1.00 0.00 C ATOM 888 O LEU A 56 -7.886 -9.096 0.449 1.00 0.00 O ATOM 889 CB LEU A 56 -7.310 -6.451 -1.508 1.00 0.00 C ATOM 890 CG LEU A 56 -6.112 -5.535 -1.253 1.00 0.00 C ATOM 891 CD1 LEU A 56 -5.502 -5.075 -2.568 1.00 0.00 C ATOM 892 CD2 LEU A 56 -6.523 -4.340 -0.406 1.00 0.00 C ATOM 0 H LEU A 56 -6.944 -7.794 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.048 -8.102 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.732 -6.209 -2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.078 -6.235 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.358 -6.100 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.651 -4.424 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.169 -5.942 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.249 -4.528 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.657 -3.700 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.296 -3.774 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.911 -4.689 0.551 1.00 0.00 H new ATOM 904 N SER A 57 -9.251 -8.868 -1.325 1.00 0.00 N ATOM 905 CA SER A 57 -10.370 -9.562 -0.686 1.00 0.00 C ATOM 906 C SER A 57 -9.941 -10.926 -0.139 1.00 0.00 C ATOM 907 O SER A 57 -10.490 -11.402 0.854 1.00 0.00 O ATOM 908 CB SER A 57 -11.530 -9.736 -1.670 1.00 0.00 C ATOM 909 OG SER A 57 -11.353 -10.893 -2.470 1.00 0.00 O ATOM 0 H SER A 57 -9.441 -8.543 -2.273 1.00 0.00 H new ATOM 0 HA SER A 57 -10.703 -8.947 0.151 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.469 -9.810 -1.121 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.604 -8.856 -2.309 1.00 0.00 H new ATOM 0 HG SER A 57 -12.108 -10.982 -3.088 1.00 0.00 H new ATOM 915 N ASP A 58 -8.956 -11.553 -0.787 1.00 0.00 N ATOM 916 CA ASP A 58 -8.466 -12.860 -0.348 1.00 0.00 C ATOM 917 C ASP A 58 -8.057 -12.840 1.128 1.00 0.00 C ATOM 918 O ASP A 58 -8.122 -13.865 1.805 1.00 0.00 O ATOM 919 CB ASP A 58 -7.278 -13.306 -1.206 1.00 0.00 C ATOM 920 CG ASP A 58 -7.255 -14.806 -1.427 1.00 0.00 C ATOM 921 OD1 ASP A 58 -7.073 -15.547 -0.438 1.00 0.00 O ATOM 922 OD2 ASP A 58 -7.419 -15.238 -2.587 1.00 0.00 O ATOM 0 H ASP A 58 -8.486 -11.179 -1.611 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.284 -13.571 -0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.320 -12.800 -2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.350 -12.998 -0.725 1.00 0.00 H new ATOM 927 N TYR A 59 -7.632 -11.674 1.628 1.00 0.00 N ATOM 928 CA TYR A 59 -7.217 -11.555 3.025 1.00 0.00 C ATOM 929 C TYR A 59 -8.337 -10.988 3.909 1.00 0.00 C ATOM 930 O TYR A 59 -8.067 -10.421 4.967 1.00 0.00 O ATOM 931 CB TYR A 59 -5.973 -10.671 3.132 1.00 0.00 C ATOM 932 CG TYR A 59 -4.770 -11.232 2.410 1.00 0.00 C ATOM 933 CD1 TYR A 59 -4.197 -12.434 2.804 1.00 0.00 C ATOM 934 CD2 TYR A 59 -4.206 -10.559 1.332 1.00 0.00 C ATOM 935 CE1 TYR A 59 -3.098 -12.951 2.146 1.00 0.00 C ATOM 936 CE2 TYR A 59 -3.106 -11.069 0.669 1.00 0.00 C ATOM 937 CZ TYR A 59 -2.556 -12.265 1.080 1.00 0.00 C ATOM 938 OH TYR A 59 -1.461 -12.776 0.420 1.00 0.00 O ATOM 0 H TYR A 59 -7.568 -10.810 1.091 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.985 -12.558 3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.202 -9.685 2.728 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.724 -10.534 4.184 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.618 -12.974 3.639 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.635 -9.622 1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.666 -13.888 2.465 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.679 -10.534 -0.166 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.205 -12.170 -0.307 1.00 0.00 H new ATOM 948 N ASN A 60 -9.592 -11.151 3.482 1.00 0.00 N ATOM 949 CA ASN A 60 -10.734 -10.663 4.250 1.00 0.00 C ATOM 950 C ASN A 60 -10.707 -9.141 4.434 1.00 0.00 C ATOM 951 O ASN A 60 -11.341 -8.619 5.352 1.00 0.00 O ATOM 952 CB ASN A 60 -10.775 -11.346 5.618 1.00 0.00 C ATOM 953 CG ASN A 60 -11.600 -12.619 5.605 1.00 0.00 C ATOM 954 OD1 ASN A 60 -11.886 -13.174 4.544 1.00 0.00 O ATOM 955 ND2 ASN A 60 -11.992 -13.094 6.786 1.00 0.00 N ATOM 0 H ASN A 60 -9.840 -11.617 2.609 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.632 -10.909 3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.758 -11.578 5.935 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.189 -10.656 6.353 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.550 -13.947 6.833 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.735 -12.605 7.643 1.00 0.00 H new ATOM 962 N ILE A 61 -9.990 -8.426 3.567 1.00 0.00 N ATOM 963 CA ILE A 61 -9.923 -6.971 3.667 1.00 0.00 C ATOM 964 C ILE A 61 -11.047 -6.321 2.860 1.00 0.00 C ATOM 965 O ILE A 61 -10.900 -6.066 1.665 1.00 0.00 O ATOM 966 CB ILE A 61 -8.555 -6.425 3.199 1.00 0.00 C ATOM 967 CG1 ILE A 61 -8.460 -4.911 3.451 1.00 0.00 C ATOM 968 CG2 ILE A 61 -8.304 -6.761 1.734 1.00 0.00 C ATOM 969 CD1 ILE A 61 -9.185 -4.054 2.428 1.00 0.00 C ATOM 0 H ILE A 61 -9.454 -8.826 2.797 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.045 -6.716 4.720 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.775 -6.911 3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.865 -4.694 4.440 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.409 -4.624 3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.335 -6.365 1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.311 -7.843 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.086 -6.316 1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.065 -3.001 2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.766 -4.237 1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.245 -4.308 2.426 1.00 0.00 H new ATOM 981 N GLN A 62 -12.173 -6.056 3.520 1.00 0.00 N ATOM 982 CA GLN A 62 -13.319 -5.441 2.857 1.00 0.00 C ATOM 983 C GLN A 62 -13.410 -3.951 3.183 1.00 0.00 C ATOM 984 O GLN A 62 -12.622 -3.431 3.971 1.00 0.00 O ATOM 985 CB GLN A 62 -14.612 -6.147 3.270 1.00 0.00 C ATOM 986 CG GLN A 62 -14.903 -7.403 2.465 1.00 0.00 C ATOM 987 CD GLN A 62 -15.797 -7.135 1.269 1.00 0.00 C ATOM 988 OE1 GLN A 62 -17.013 -7.318 1.338 1.00 0.00 O ATOM 989 NE2 GLN A 62 -15.203 -6.699 0.160 1.00 0.00 N ATOM 0 H GLN A 62 -12.315 -6.257 4.510 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.182 -5.547 1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -14.552 -6.408 4.326 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -15.446 -5.454 3.160 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.963 -7.836 2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -15.378 -8.142 3.110 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -14.193 -6.560 0.143 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -15.758 -6.504 -0.673 1.00 0.00 H new ATOM 998 N LYS A 63 -14.376 -3.267 2.570 1.00 0.00 N ATOM 999 CA LYS A 63 -14.564 -1.834 2.798 1.00 0.00 C ATOM 1000 C LYS A 63 -14.616 -1.511 4.292 1.00 0.00 C ATOM 1001 O LYS A 63 -15.121 -2.301 5.089 1.00 0.00 O ATOM 1002 CB LYS A 63 -15.845 -1.345 2.118 1.00 0.00 C ATOM 1003 CG LYS A 63 -17.102 -2.041 2.615 1.00 0.00 C ATOM 1004 CD LYS A 63 -18.335 -1.578 1.856 1.00 0.00 C ATOM 1005 CE LYS A 63 -18.788 -2.614 0.839 1.00 0.00 C ATOM 1006 NZ LYS A 63 -19.239 -1.984 -0.433 1.00 0.00 N ATOM 0 H LYS A 63 -15.039 -3.680 1.914 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.708 -1.317 2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.946 -0.272 2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.756 -1.498 1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.989 -3.119 2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.233 -1.842 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -19.143 -1.381 2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.119 -0.638 1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.968 -3.302 0.632 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -19.602 -3.204 1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.539 -2.724 -1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -20.038 -1.346 -0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.455 -1.441 -0.849 1.00 0.00 H new ATOM 1020 N GLU A 64 -14.094 -0.341 4.663 1.00 0.00 N ATOM 1021 CA GLU A 64 -14.084 0.090 6.058 1.00 0.00 C ATOM 1022 C GLU A 64 -13.216 -0.824 6.931 1.00 0.00 C ATOM 1023 O GLU A 64 -13.391 -0.870 8.149 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.511 0.128 6.609 1.00 0.00 C ATOM 1025 CG GLU A 64 -15.677 1.048 7.807 1.00 0.00 C ATOM 1026 CD GLU A 64 -16.978 0.812 8.548 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -18.009 0.580 7.879 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -16.968 0.857 9.795 1.00 0.00 O ATOM 0 H GLU A 64 -13.673 0.324 4.015 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.653 1.091 6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.188 0.450 5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.809 -0.881 6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.842 0.901 8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.637 2.085 7.473 1.00 0.00 H new ATOM 1035 N SER A 65 -12.278 -1.545 6.313 1.00 0.00 N ATOM 1036 CA SER A 65 -11.396 -2.440 7.061 1.00 0.00 C ATOM 1037 C SER A 65 -10.324 -1.652 7.809 1.00 0.00 C ATOM 1038 O SER A 65 -9.894 -0.590 7.358 1.00 0.00 O ATOM 1039 CB SER A 65 -10.733 -3.457 6.129 1.00 0.00 C ATOM 1040 OG SER A 65 -10.048 -2.809 5.070 1.00 0.00 O ATOM 0 H SER A 65 -12.111 -1.527 5.307 1.00 0.00 H new ATOM 0 HA SER A 65 -12.009 -2.974 7.787 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.034 -4.072 6.696 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.489 -4.127 5.721 1.00 0.00 H new ATOM 0 HG SER A 65 -10.637 -2.746 4.289 1.00 0.00 H new ATOM 1046 N THR A 66 -9.887 -2.180 8.951 1.00 0.00 N ATOM 1047 CA THR A 66 -8.858 -1.527 9.750 1.00 0.00 C ATOM 1048 C THR A 66 -7.535 -2.281 9.640 1.00 0.00 C ATOM 1049 O THR A 66 -7.265 -3.191 10.425 1.00 0.00 O ATOM 1050 CB THR A 66 -9.293 -1.444 11.215 1.00 0.00 C ATOM 1051 OG1 THR A 66 -10.680 -1.158 11.318 1.00 0.00 O ATOM 1052 CG2 THR A 66 -8.543 -0.391 12.003 1.00 0.00 C ATOM 0 H THR A 66 -10.231 -3.057 9.341 1.00 0.00 H new ATOM 0 HA THR A 66 -8.717 -0.516 9.367 1.00 0.00 H new ATOM 0 HB THR A 66 -9.064 -2.422 11.638 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.935 -1.112 12.263 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.900 -0.385 13.033 1.00 0.00 H new ATOM 0 HG22 THR A 66 -7.477 -0.617 11.990 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.712 0.588 11.555 1.00 0.00 H new ATOM 1060 N LEU A 67 -6.711 -1.905 8.662 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.421 -2.562 8.464 1.00 0.00 C ATOM 1062 C LEU A 67 -4.265 -1.641 8.851 1.00 0.00 C ATOM 1063 O LEU A 67 -4.251 -0.462 8.497 1.00 0.00 O ATOM 1064 CB LEU A 67 -5.257 -3.032 7.012 1.00 0.00 C ATOM 1065 CG LEU A 67 -5.860 -2.116 5.942 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -5.200 -0.746 5.971 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -5.714 -2.745 4.564 1.00 0.00 C ATOM 0 H LEU A 67 -6.912 -1.155 8.000 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.398 -3.435 9.116 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.193 -3.149 6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.710 -4.019 6.916 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.921 -1.989 6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.644 -0.112 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.351 -0.290 6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.132 -0.853 5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.147 -2.083 3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.658 -2.900 4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.233 -3.703 4.545 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.293 -2.189 9.582 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.132 -1.417 10.014 1.00 0.00 C ATOM 1081 C HIS A 68 -0.888 -1.828 9.230 1.00 0.00 C ATOM 1082 O HIS A 68 -0.692 -3.007 8.935 1.00 0.00 O ATOM 1083 CB HIS A 68 -1.893 -1.611 11.513 1.00 0.00 C ATOM 1084 CG HIS A 68 -3.136 -1.495 12.338 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -3.583 -2.500 13.171 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -4.030 -0.484 12.459 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -4.697 -2.112 13.766 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -4.989 -0.893 13.351 1.00 0.00 N ATOM 0 H HIS A 68 -3.289 -3.163 9.886 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.332 -0.363 9.820 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.448 -2.592 11.677 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.169 -0.872 11.856 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.994 0.467 11.948 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.271 -2.693 14.472 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.797 -0.344 13.646 1.00 0.00 H new ATOM 1097 N LEU A 69 -0.042 -0.853 8.898 1.00 0.00 N ATOM 1098 CA LEU A 69 1.183 -1.132 8.154 1.00 0.00 C ATOM 1099 C LEU A 69 2.408 -1.069 9.065 1.00 0.00 C ATOM 1100 O LEU A 69 2.372 -0.443 10.123 1.00 0.00 O ATOM 1101 CB LEU A 69 1.353 -0.171 6.966 1.00 0.00 C ATOM 1102 CG LEU A 69 1.152 1.326 7.250 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -0.328 1.676 7.285 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.841 1.739 8.546 1.00 0.00 C ATOM 0 H LEU A 69 -0.182 0.130 9.131 1.00 0.00 H new ATOM 0 HA LEU A 69 1.096 -2.145 7.761 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.355 -0.308 6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.650 -0.466 6.187 1.00 0.00 H new ATOM 0 HG LEU A 69 1.613 1.885 6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.445 2.741 7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.781 1.438 6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.819 1.101 8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.681 2.803 8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.425 1.169 9.377 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.910 1.541 8.469 1.00 0.00 H new ATOM 1116 N VAL A 70 3.492 -1.719 8.643 1.00 0.00 N ATOM 1117 CA VAL A 70 4.724 -1.729 9.421 1.00 0.00 C ATOM 1118 C VAL A 70 5.841 -0.991 8.684 1.00 0.00 C ATOM 1119 O VAL A 70 5.845 -0.927 7.455 1.00 0.00 O ATOM 1120 CB VAL A 70 5.183 -3.169 9.727 1.00 0.00 C ATOM 1121 CG1 VAL A 70 5.449 -3.935 8.439 1.00 0.00 C ATOM 1122 CG2 VAL A 70 6.417 -3.162 10.618 1.00 0.00 C ATOM 0 H VAL A 70 3.539 -2.243 7.769 1.00 0.00 H new ATOM 0 HA VAL A 70 4.514 -1.219 10.361 1.00 0.00 H new ATOM 0 HB VAL A 70 4.381 -3.676 10.263 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.772 -4.948 8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.536 -3.976 7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.230 -3.430 7.870 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.724 -4.188 10.822 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.227 -2.634 10.114 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.185 -2.659 11.557 1.00 0.00 H new ATOM 1132 N LEU A 71 6.787 -0.435 9.439 1.00 0.00 N ATOM 1133 CA LEU A 71 7.903 0.294 8.842 1.00 0.00 C ATOM 1134 C LEU A 71 8.985 -0.669 8.360 1.00 0.00 C ATOM 1135 O LEU A 71 9.899 -1.011 9.110 1.00 0.00 O ATOM 1136 CB LEU A 71 8.498 1.285 9.848 1.00 0.00 C ATOM 1137 CG LEU A 71 7.830 2.661 9.875 1.00 0.00 C ATOM 1138 CD1 LEU A 71 6.480 2.585 10.571 1.00 0.00 C ATOM 1139 CD2 LEU A 71 8.730 3.675 10.563 1.00 0.00 C ATOM 0 H LEU A 71 6.803 -0.475 10.458 1.00 0.00 H new ATOM 0 HA LEU A 71 7.522 0.847 7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.436 0.848 10.845 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.556 1.416 9.623 1.00 0.00 H new ATOM 0 HG LEU A 71 7.668 2.986 8.847 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.020 3.573 10.581 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.834 1.889 10.036 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.618 2.239 11.595 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.240 4.648 10.574 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.923 3.355 11.587 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.674 3.750 10.022 1.00 0.00 H new ATOM 1151 N ARG A 72 8.877 -1.105 7.105 1.00 0.00 N ATOM 1152 CA ARG A 72 9.851 -2.031 6.531 1.00 0.00 C ATOM 1153 C ARG A 72 10.959 -1.283 5.784 1.00 0.00 C ATOM 1154 O ARG A 72 11.318 -1.652 4.665 1.00 0.00 O ATOM 1155 CB ARG A 72 9.157 -3.015 5.587 1.00 0.00 C ATOM 1156 CG ARG A 72 9.675 -4.440 5.706 1.00 0.00 C ATOM 1157 CD ARG A 72 11.107 -4.555 5.209 1.00 0.00 C ATOM 1158 NE ARG A 72 11.657 -5.890 5.429 1.00 0.00 N ATOM 1159 CZ ARG A 72 11.390 -6.940 4.653 1.00 0.00 C ATOM 1160 NH1 ARG A 72 10.583 -6.811 3.607 1.00 0.00 N ATOM 1161 NH2 ARG A 72 11.932 -8.120 4.922 1.00 0.00 N ATOM 0 H ARG A 72 8.127 -0.833 6.469 1.00 0.00 H new ATOM 0 HA ARG A 72 10.308 -2.583 7.352 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.086 -3.008 5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.288 -2.674 4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.623 -4.762 6.746 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.035 -5.110 5.133 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.142 -4.319 4.145 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.728 -3.818 5.719 1.00 0.00 H new ATOM 0 HE ARG A 72 12.282 -6.027 6.223 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.164 -5.905 3.394 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.381 -7.617 3.016 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.554 -8.225 5.724 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.727 -8.923 4.327 1.00 0.00 H new ATOM 1175 N LEU A 73 11.504 -0.234 6.402 1.00 0.00 N ATOM 1176 CA LEU A 73 12.570 0.544 5.780 1.00 0.00 C ATOM 1177 C LEU A 73 13.918 -0.155 5.946 1.00 0.00 C ATOM 1178 O LEU A 73 14.700 -0.244 4.999 1.00 0.00 O ATOM 1179 CB LEU A 73 12.633 1.952 6.383 1.00 0.00 C ATOM 1180 CG LEU A 73 11.884 3.028 5.595 1.00 0.00 C ATOM 1181 CD1 LEU A 73 11.597 4.233 6.476 1.00 0.00 C ATOM 1182 CD2 LEU A 73 12.683 3.441 4.368 1.00 0.00 C ATOM 0 H LEU A 73 11.225 0.093 7.327 1.00 0.00 H new ATOM 0 HA LEU A 73 12.349 0.627 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.228 1.916 7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.679 2.248 6.469 1.00 0.00 H new ATOM 0 HG LEU A 73 10.933 2.612 5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.064 4.988 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.985 3.926 7.324 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.536 4.651 6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 73 12.136 4.207 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 73 13.649 3.838 4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.837 2.574 3.725 1.00 0.00 H new ATOM 1194 N ARG A 74 14.184 -0.650 7.153 1.00 0.00 N ATOM 1195 CA ARG A 74 15.439 -1.340 7.436 1.00 0.00 C ATOM 1196 C ARG A 74 15.310 -2.837 7.167 1.00 0.00 C ATOM 1197 O ARG A 74 14.653 -3.557 7.921 1.00 0.00 O ATOM 1198 CB ARG A 74 15.862 -1.105 8.889 1.00 0.00 C ATOM 1199 CG ARG A 74 17.323 -1.425 9.157 1.00 0.00 C ATOM 1200 CD ARG A 74 17.617 -1.472 10.648 1.00 0.00 C ATOM 1201 NE ARG A 74 17.477 -0.161 11.283 1.00 0.00 N ATOM 1202 CZ ARG A 74 18.030 0.159 12.452 1.00 0.00 C ATOM 1203 NH1 ARG A 74 18.757 -0.731 13.116 1.00 0.00 N ATOM 1204 NH2 ARG A 74 17.855 1.372 12.959 1.00 0.00 N ATOM 0 H ARG A 74 13.549 -0.586 7.948 1.00 0.00 H new ATOM 0 HA ARG A 74 16.204 -0.934 6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 74 15.673 -0.064 9.150 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.239 -1.715 9.543 1.00 0.00 H new ATOM 0 HG2 ARG A 74 17.576 -2.384 8.705 1.00 0.00 H new ATOM 0 HG3 ARG A 74 17.954 -0.673 8.684 1.00 0.00 H new ATOM 0 HD2 ARG A 74 16.941 -2.180 11.127 1.00 0.00 H new ATOM 0 HD3 ARG A 74 18.630 -1.843 10.805 1.00 0.00 H new ATOM 0 HE ARG A 74 16.924 0.549 10.803 1.00 0.00 H new ATOM 0 HH11 ARG A 74 18.895 -1.666 12.732 1.00 0.00 H new ATOM 0 HH12 ARG A 74 19.178 -0.480 14.011 1.00 0.00 H new ATOM 0 HH21 ARG A 74 17.297 2.060 12.454 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.279 1.617 13.854 1.00 0.00 H new ATOM 1218 N GLY A 75 15.938 -3.305 6.089 1.00 0.00 N ATOM 1219 CA GLY A 75 15.875 -4.714 5.749 1.00 0.00 C ATOM 1220 C GLY A 75 17.101 -5.480 6.216 1.00 0.00 C ATOM 1221 O GLY A 75 17.839 -6.032 5.400 1.00 0.00 O ATOM 0 H GLY A 75 16.488 -2.733 5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.984 -5.153 6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.774 -4.820 4.669 1.00 0.00 H new ATOM 1225 N GLY A 76 17.319 -5.514 7.529 1.00 0.00 N ATOM 1226 CA GLY A 76 18.465 -6.222 8.070 1.00 0.00 C ATOM 1227 C GLY A 76 18.197 -7.701 8.258 1.00 0.00 C ATOM 1228 O GLY A 76 17.113 -8.166 7.846 1.00 0.00 O ATOM 1229 OXT GLY A 76 19.072 -8.397 8.816 1.00 0.00 O ATOM 0 H GLY A 76 16.724 -5.065 8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 76 19.317 -6.092 7.402 1.00 0.00 H new ATOM 0 HA3 GLY A 76 18.741 -5.781 9.028 1.00 0.00 H new TER 1233 GLY A 76