USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 507 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 155:sc= -0.114 (180deg=-0.564) USER MOD Single : A 1 MET N :NH3+ -167:sc=-0.00211 (180deg=-0.234) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.122 K(o=-0.12,f=-2!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.69) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 13 GLN : amide:sc= -0.0532 X(o=-0.053,f=-0.36) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.0792 X(o=-0.079,f=-0.24) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00439 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 99:sc= 0.773 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 0.00 C ATOM 3 C MET A 1 2.955 -1.255 -1.350 1.00 0.00 C ATOM 4 O MET A 1 3.193 -1.764 -2.445 1.00 0.00 O ATOM 5 CB MET A 1 2.975 1.247 -1.325 1.00 0.00 C ATOM 6 CG MET A 1 3.644 1.429 -2.677 1.00 0.00 C ATOM 7 SD MET A 1 2.784 2.619 -3.723 1.00 0.00 S ATOM 8 CE MET A 1 3.083 4.139 -2.824 1.00 0.00 C ATOM 0 H1 MET A 1 0.595 0.736 -0.044 1.00 0.00 H new ATOM 0 H2 MET A 1 0.880 -0.929 0.132 1.00 0.00 H new ATOM 0 H3 MET A 1 1.966 0.194 0.799 1.00 0.00 H new ATOM 0 HA MET A 1 1.387 0.006 -2.073 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.368 2.126 -1.108 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.743 1.191 -0.553 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.672 1.759 -2.528 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.689 0.467 -3.188 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.026 4.984 -3.510 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.331 4.254 -2.043 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.074 4.105 -2.372 1.00 0.00 H new ATOM 18 N VAL A 2 3.420 -1.748 -0.206 1.00 0.00 N ATOM 19 CA VAL A 2 4.254 -2.943 -0.172 1.00 0.00 C ATOM 20 C VAL A 2 3.622 -4.031 0.688 1.00 0.00 C ATOM 21 O VAL A 2 3.969 -4.192 1.858 1.00 0.00 O ATOM 22 CB VAL A 2 5.662 -2.629 0.369 1.00 0.00 C ATOM 23 CG1 VAL A 2 6.526 -3.881 0.367 1.00 0.00 C ATOM 24 CG2 VAL A 2 6.311 -1.521 -0.447 1.00 0.00 C ATOM 0 H VAL A 2 3.233 -1.338 0.709 1.00 0.00 H new ATOM 0 HA VAL A 2 4.338 -3.299 -1.199 1.00 0.00 H new ATOM 0 HB VAL A 2 5.569 -2.283 1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.517 -3.640 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.066 -4.641 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.615 -4.260 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 2 7.305 -1.312 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.394 -1.836 -1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.700 -0.620 -0.388 1.00 0.00 H new ATOM 34 N SER A 3 2.691 -4.776 0.100 1.00 0.00 N ATOM 35 CA SER A 3 2.007 -5.848 0.814 1.00 0.00 C ATOM 36 C SER A 3 2.541 -7.212 0.388 1.00 0.00 C ATOM 37 O SER A 3 3.037 -7.375 -0.726 1.00 0.00 O ATOM 38 CB SER A 3 0.500 -5.776 0.561 1.00 0.00 C ATOM 39 OG SER A 3 -0.224 -5.808 1.779 1.00 0.00 O ATOM 0 H SER A 3 2.393 -4.657 -0.868 1.00 0.00 H new ATOM 0 HA SER A 3 2.196 -5.720 1.880 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.263 -4.862 0.017 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.194 -6.611 -0.070 1.00 0.00 H new ATOM 0 HG SER A 3 -1.184 -5.759 1.590 1.00 0.00 H new ATOM 45 N GLN A 4 2.436 -8.188 1.284 1.00 0.00 N ATOM 46 CA GLN A 4 2.910 -9.538 1.002 1.00 0.00 C ATOM 47 C GLN A 4 2.355 -10.532 2.016 1.00 0.00 C ATOM 48 O GLN A 4 1.647 -10.154 2.950 1.00 0.00 O ATOM 49 CB GLN A 4 4.439 -9.578 1.015 1.00 0.00 C ATOM 50 CG GLN A 4 5.047 -10.001 -0.312 1.00 0.00 C ATOM 51 CD GLN A 4 6.466 -9.498 -0.490 1.00 0.00 C ATOM 52 OE1 GLN A 4 6.997 -8.786 0.363 1.00 0.00 O ATOM 53 NE2 GLN A 4 7.090 -9.867 -1.603 1.00 0.00 N ATOM 0 H GLN A 4 2.027 -8.069 2.211 1.00 0.00 H new ATOM 0 HA GLN A 4 2.555 -9.821 0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.818 -8.591 1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.770 -10.266 1.793 1.00 0.00 H new ATOM 0 HG2 GLN A 4 5.040 -11.089 -0.380 1.00 0.00 H new ATOM 0 HG3 GLN A 4 4.428 -9.626 -1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 4 6.612 -10.458 -2.283 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.047 -9.559 -1.777 1.00 0.00 H new ATOM 62 N LYS A 5 2.680 -11.806 1.827 1.00 0.00 N ATOM 63 CA LYS A 5 2.215 -12.857 2.725 1.00 0.00 C ATOM 64 C LYS A 5 3.210 -14.012 2.772 1.00 0.00 C ATOM 65 O LYS A 5 4.189 -14.031 2.027 1.00 0.00 O ATOM 66 CB LYS A 5 0.844 -13.368 2.279 1.00 0.00 C ATOM 67 CG LYS A 5 -0.233 -13.228 3.341 1.00 0.00 C ATOM 68 CD LYS A 5 -1.607 -13.036 2.721 1.00 0.00 C ATOM 69 CE LYS A 5 -2.605 -12.497 3.734 1.00 0.00 C ATOM 70 NZ LYS A 5 -3.281 -11.264 3.245 1.00 0.00 N ATOM 0 H LYS A 5 3.264 -12.136 1.059 1.00 0.00 H new ATOM 0 HA LYS A 5 2.130 -12.434 3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.535 -12.823 1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.931 -14.418 1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.239 -14.116 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.002 -12.380 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.534 -12.348 1.879 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.965 -13.987 2.326 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.353 -13.260 3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.091 -12.282 4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.953 -10.928 3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.570 -10.527 3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.793 -11.475 2.364 1.00 0.00 H new ATOM 84 N ASN A 6 2.951 -14.975 3.651 1.00 0.00 N ATOM 85 CA ASN A 6 3.823 -16.135 3.793 1.00 0.00 C ATOM 86 C ASN A 6 3.009 -17.401 4.044 1.00 0.00 C ATOM 87 O ASN A 6 2.411 -17.567 5.106 1.00 0.00 O ATOM 88 CB ASN A 6 4.814 -15.917 4.939 1.00 0.00 C ATOM 89 CG ASN A 6 4.119 -15.628 6.256 1.00 0.00 C ATOM 90 OD1 ASN A 6 3.579 -14.541 6.460 1.00 0.00 O ATOM 91 ND2 ASN A 6 4.131 -16.604 7.157 1.00 0.00 N ATOM 0 H ASN A 6 2.144 -14.975 4.275 1.00 0.00 H new ATOM 0 HA ASN A 6 4.376 -16.259 2.862 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.440 -16.803 5.048 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.476 -15.087 4.691 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.680 -16.468 8.062 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.591 -17.489 6.944 1.00 0.00 H new ATOM 98 N GLY A 7 2.992 -18.292 3.057 1.00 0.00 N ATOM 99 CA GLY A 7 2.249 -19.532 3.190 1.00 0.00 C ATOM 100 C GLY A 7 2.890 -20.676 2.431 1.00 0.00 C ATOM 101 O GLY A 7 4.055 -20.595 2.039 1.00 0.00 O ATOM 0 H GLY A 7 3.479 -18.177 2.168 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.175 -19.796 4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.232 -19.383 2.827 1.00 0.00 H new ATOM 105 N ILE A 8 2.130 -21.746 2.223 1.00 0.00 N ATOM 106 CA ILE A 8 2.631 -22.911 1.506 1.00 0.00 C ATOM 107 C ILE A 8 1.939 -23.067 0.156 1.00 0.00 C ATOM 108 O ILE A 8 1.771 -24.179 -0.342 1.00 0.00 O ATOM 109 CB ILE A 8 2.435 -24.202 2.323 1.00 0.00 C ATOM 110 CG1 ILE A 8 0.980 -24.326 2.779 1.00 0.00 C ATOM 111 CG2 ILE A 8 3.375 -24.220 3.519 1.00 0.00 C ATOM 112 CD1 ILE A 8 0.426 -25.729 2.659 1.00 0.00 C ATOM 0 H ILE A 8 1.165 -21.830 2.541 1.00 0.00 H new ATOM 0 HA ILE A 8 3.697 -22.749 1.348 1.00 0.00 H new ATOM 0 HB ILE A 8 2.671 -25.056 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.904 -24.002 3.817 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.364 -23.649 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.224 -25.138 4.086 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.407 -24.173 3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.168 -23.361 4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.609 -25.742 3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.469 -26.050 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.018 -26.408 3.273 1.00 0.00 H new ATOM 124 N ALA A 9 1.540 -21.943 -0.431 1.00 0.00 N ATOM 125 CA ALA A 9 0.869 -21.954 -1.725 1.00 0.00 C ATOM 126 C ALA A 9 0.659 -20.536 -2.246 1.00 0.00 C ATOM 127 O ALA A 9 0.911 -20.249 -3.416 1.00 0.00 O ATOM 128 CB ALA A 9 -0.462 -22.684 -1.623 1.00 0.00 C ATOM 0 H ALA A 9 1.670 -21.014 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 9 1.507 -22.483 -2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.952 -22.685 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.290 -23.712 -1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.099 -22.180 -0.896 1.00 0.00 H new ATOM 134 N THR A 10 0.193 -19.651 -1.369 1.00 0.00 N ATOM 135 CA THR A 10 -0.053 -18.264 -1.741 1.00 0.00 C ATOM 136 C THR A 10 1.215 -17.604 -2.272 1.00 0.00 C ATOM 137 O THR A 10 1.153 -16.698 -3.105 1.00 0.00 O ATOM 138 CB THR A 10 -0.582 -17.447 -0.547 1.00 0.00 C ATOM 139 OG1 THR A 10 -0.980 -18.327 0.510 1.00 0.00 O ATOM 140 CG2 THR A 10 -1.761 -16.581 -0.964 1.00 0.00 C ATOM 0 H THR A 10 -0.021 -19.871 -0.396 1.00 0.00 H new ATOM 0 HA THR A 10 -0.809 -18.277 -2.526 1.00 0.00 H new ATOM 0 HB THR A 10 0.219 -16.797 -0.196 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.314 -17.800 1.266 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.118 -16.013 -0.104 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.447 -15.893 -1.749 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.564 -17.216 -1.338 1.00 0.00 H new ATOM 148 N LEU A 11 2.363 -18.062 -1.786 1.00 0.00 N ATOM 149 CA LEU A 11 3.646 -17.516 -2.212 1.00 0.00 C ATOM 150 C LEU A 11 3.857 -17.725 -3.708 1.00 0.00 C ATOM 151 O LEU A 11 4.484 -16.903 -4.379 1.00 0.00 O ATOM 152 CB LEU A 11 4.786 -18.169 -1.429 1.00 0.00 C ATOM 153 CG LEU A 11 5.042 -19.647 -1.723 1.00 0.00 C ATOM 154 CD1 LEU A 11 6.010 -19.800 -2.886 1.00 0.00 C ATOM 155 CD2 LEU A 11 5.577 -20.353 -0.485 1.00 0.00 C ATOM 0 H LEU A 11 2.431 -18.810 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 11 3.642 -16.445 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.703 -17.615 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.577 -18.062 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 11 4.096 -20.111 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.180 -20.859 -3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.588 -19.331 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.957 -19.320 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.753 -21.404 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.513 -19.887 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.849 -20.274 0.322 1.00 0.00 H new ATOM 167 N LEU A 12 3.329 -18.828 -4.226 1.00 0.00 N ATOM 168 CA LEU A 12 3.457 -19.145 -5.644 1.00 0.00 C ATOM 169 C LEU A 12 2.933 -18.001 -6.507 1.00 0.00 C ATOM 170 O LEU A 12 3.417 -17.777 -7.616 1.00 0.00 O ATOM 171 CB LEU A 12 2.698 -20.433 -5.970 1.00 0.00 C ATOM 172 CG LEU A 12 3.343 -21.346 -7.014 1.00 0.00 C ATOM 173 CD1 LEU A 12 3.300 -22.795 -6.555 1.00 0.00 C ATOM 174 CD2 LEU A 12 2.649 -21.190 -8.359 1.00 0.00 C ATOM 0 H LEU A 12 2.808 -19.518 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 12 4.515 -19.288 -5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.573 -21.001 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.700 -20.165 -6.318 1.00 0.00 H new ATOM 0 HG LEU A 12 4.387 -21.054 -7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.763 -23.430 -7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.842 -22.895 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.264 -23.100 -6.411 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.121 -21.847 -9.090 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.597 -21.455 -8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.732 -20.156 -8.693 1.00 0.00 H new ATOM 186 N GLN A 13 1.944 -17.280 -5.989 1.00 0.00 N ATOM 187 CA GLN A 13 1.357 -16.159 -6.712 1.00 0.00 C ATOM 188 C GLN A 13 2.354 -15.011 -6.839 1.00 0.00 C ATOM 189 O GLN A 13 2.501 -14.420 -7.908 1.00 0.00 O ATOM 190 CB GLN A 13 0.091 -15.674 -6.003 1.00 0.00 C ATOM 191 CG GLN A 13 -1.058 -15.369 -6.950 1.00 0.00 C ATOM 192 CD GLN A 13 -2.345 -16.061 -6.548 1.00 0.00 C ATOM 193 OE1 GLN A 13 -2.343 -17.235 -6.176 1.00 0.00 O ATOM 194 NE2 GLN A 13 -3.455 -15.335 -6.620 1.00 0.00 N ATOM 0 H GLN A 13 1.533 -17.452 -5.072 1.00 0.00 H new ATOM 0 HA GLN A 13 1.096 -16.502 -7.713 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.229 -16.433 -5.289 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.326 -14.777 -5.430 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.223 -14.292 -6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.784 -15.677 -7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.411 -14.365 -6.934 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.352 -15.747 -6.362 1.00 0.00 H new ATOM 203 N ALA A 14 3.036 -14.702 -5.741 1.00 0.00 N ATOM 204 CA ALA A 14 4.020 -13.626 -5.730 1.00 0.00 C ATOM 205 C ALA A 14 5.233 -13.984 -6.582 1.00 0.00 C ATOM 206 O ALA A 14 5.790 -13.132 -7.273 1.00 0.00 O ATOM 207 CB ALA A 14 4.447 -13.316 -4.303 1.00 0.00 C ATOM 0 H ALA A 14 2.925 -15.181 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 14 3.556 -12.738 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.182 -12.511 -4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.578 -13.009 -3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.888 -14.206 -3.854 1.00 0.00 H new ATOM 213 N GLU A 15 5.637 -15.249 -6.526 1.00 0.00 N ATOM 214 CA GLU A 15 6.786 -15.717 -7.292 1.00 0.00 C ATOM 215 C GLU A 15 6.489 -15.693 -8.789 1.00 0.00 C ATOM 216 O GLU A 15 7.306 -15.237 -9.588 1.00 0.00 O ATOM 217 CB GLU A 15 7.172 -17.134 -6.860 1.00 0.00 C ATOM 218 CG GLU A 15 8.533 -17.576 -7.371 1.00 0.00 C ATOM 219 CD GLU A 15 8.848 -19.017 -7.017 1.00 0.00 C ATOM 220 OE1 GLU A 15 7.993 -19.891 -7.270 1.00 0.00 O ATOM 221 OE2 GLU A 15 9.951 -19.270 -6.488 1.00 0.00 O ATOM 0 H GLU A 15 5.186 -15.967 -5.959 1.00 0.00 H new ATOM 0 HA GLU A 15 7.620 -15.044 -7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.167 -17.187 -5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.415 -17.832 -7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.567 -17.456 -8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.302 -16.926 -6.954 1.00 0.00 H new ATOM 228 N LYS A 16 5.314 -16.189 -9.160 1.00 0.00 N ATOM 229 CA LYS A 16 4.906 -16.225 -10.560 1.00 0.00 C ATOM 230 C LYS A 16 4.756 -14.813 -11.119 1.00 0.00 C ATOM 231 O LYS A 16 5.297 -14.495 -12.177 1.00 0.00 O ATOM 232 CB LYS A 16 3.587 -16.987 -10.709 1.00 0.00 C ATOM 233 CG LYS A 16 3.763 -18.423 -11.169 1.00 0.00 C ATOM 234 CD LYS A 16 2.818 -18.764 -12.309 1.00 0.00 C ATOM 235 CE LYS A 16 2.446 -20.238 -12.303 1.00 0.00 C ATOM 236 NZ LYS A 16 0.974 -20.439 -12.398 1.00 0.00 N ATOM 0 H LYS A 16 4.627 -16.572 -8.511 1.00 0.00 H new ATOM 0 HA LYS A 16 5.682 -16.741 -11.126 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.064 -16.982 -9.753 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.952 -16.461 -11.422 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.793 -18.579 -11.490 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.584 -19.098 -10.332 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.915 -18.159 -12.227 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.287 -18.510 -13.260 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.936 -20.739 -13.138 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.818 -20.703 -11.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.761 -21.457 -12.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.508 -19.982 -11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.622 -20.018 -13.282 1.00 0.00 H new ATOM 250 N GLU A 17 4.019 -13.972 -10.400 1.00 0.00 N ATOM 251 CA GLU A 17 3.799 -12.595 -10.825 1.00 0.00 C ATOM 252 C GLU A 17 5.122 -11.840 -10.930 1.00 0.00 C ATOM 253 O GLU A 17 5.350 -11.096 -11.883 1.00 0.00 O ATOM 254 CB GLU A 17 2.866 -11.878 -9.847 1.00 0.00 C ATOM 255 CG GLU A 17 1.408 -12.278 -9.993 1.00 0.00 C ATOM 256 CD GLU A 17 0.457 -11.214 -9.481 1.00 0.00 C ATOM 257 OE1 GLU A 17 0.940 -10.192 -8.950 1.00 0.00 O ATOM 258 OE2 GLU A 17 -0.771 -11.404 -9.611 1.00 0.00 O ATOM 0 H GLU A 17 3.565 -14.220 -9.521 1.00 0.00 H new ATOM 0 HA GLU A 17 3.333 -12.616 -11.810 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.191 -12.087 -8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.955 -10.802 -9.995 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.193 -12.477 -11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.234 -13.207 -9.450 1.00 0.00 H new ATOM 265 N ALA A 18 5.989 -12.039 -9.942 1.00 0.00 N ATOM 266 CA ALA A 18 7.288 -11.379 -9.923 1.00 0.00 C ATOM 267 C ALA A 18 8.126 -11.780 -11.133 1.00 0.00 C ATOM 268 O ALA A 18 8.697 -10.928 -11.815 1.00 0.00 O ATOM 269 CB ALA A 18 8.028 -11.708 -8.634 1.00 0.00 C ATOM 0 H ALA A 18 5.815 -12.652 -9.145 1.00 0.00 H new ATOM 0 HA ALA A 18 7.122 -10.303 -9.970 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.997 -11.209 -8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.442 -11.366 -7.781 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.175 -12.786 -8.564 1.00 0.00 H new ATOM 275 N HIS A 19 8.195 -13.081 -11.393 1.00 0.00 N ATOM 276 CA HIS A 19 8.964 -13.595 -12.522 1.00 0.00 C ATOM 277 C HIS A 19 8.379 -13.107 -13.844 1.00 0.00 C ATOM 278 O HIS A 19 9.112 -12.842 -14.796 1.00 0.00 O ATOM 279 CB HIS A 19 8.989 -15.123 -12.496 1.00 0.00 C ATOM 280 CG HIS A 19 10.281 -15.693 -11.998 1.00 0.00 C ATOM 281 ND1 HIS A 19 11.073 -15.059 -11.063 1.00 0.00 N ATOM 282 CD2 HIS A 19 10.919 -16.846 -12.309 1.00 0.00 C ATOM 283 CE1 HIS A 19 12.142 -15.796 -10.822 1.00 0.00 C ATOM 284 NE2 HIS A 19 12.073 -16.886 -11.565 1.00 0.00 N ATOM 0 H HIS A 19 7.729 -13.799 -10.838 1.00 0.00 H new ATOM 0 HA HIS A 19 9.984 -13.221 -12.435 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.176 -15.481 -11.864 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.800 -15.498 -13.502 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.583 -17.595 -13.011 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.937 -15.549 -10.134 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.764 -17.636 -11.583 1.00 0.00 H new ATOM 292 N GLU A 20 7.056 -12.991 -13.894 1.00 0.00 N ATOM 293 CA GLU A 20 6.374 -12.536 -15.100 1.00 0.00 C ATOM 294 C GLU A 20 6.728 -11.085 -15.411 1.00 0.00 C ATOM 295 O GLU A 20 7.063 -10.746 -16.546 1.00 0.00 O ATOM 296 CB GLU A 20 4.859 -12.681 -14.942 1.00 0.00 C ATOM 297 CG GLU A 20 4.119 -12.813 -16.263 1.00 0.00 C ATOM 298 CD GLU A 20 3.700 -14.241 -16.556 1.00 0.00 C ATOM 299 OE1 GLU A 20 2.750 -14.726 -15.907 1.00 0.00 O ATOM 300 OE2 GLU A 20 4.323 -14.872 -17.435 1.00 0.00 O ATOM 0 H GLU A 20 6.435 -13.206 -13.114 1.00 0.00 H new ATOM 0 HA GLU A 20 6.706 -13.159 -15.931 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.648 -13.557 -14.328 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.474 -11.815 -14.404 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.235 -12.175 -16.246 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.757 -12.452 -17.070 1.00 0.00 H new ATOM 307 N ILE A 21 6.651 -10.233 -14.394 1.00 0.00 N ATOM 308 CA ILE A 21 6.963 -8.818 -14.558 1.00 0.00 C ATOM 309 C ILE A 21 8.436 -8.616 -14.897 1.00 0.00 C ATOM 310 O ILE A 21 8.777 -7.843 -15.792 1.00 0.00 O ATOM 311 CB ILE A 21 6.626 -8.017 -13.286 1.00 0.00 C ATOM 312 CG1 ILE A 21 5.145 -8.172 -12.937 1.00 0.00 C ATOM 313 CG2 ILE A 21 6.981 -6.549 -13.476 1.00 0.00 C ATOM 314 CD1 ILE A 21 4.819 -7.800 -11.507 1.00 0.00 C ATOM 0 H ILE A 21 6.375 -10.498 -13.448 1.00 0.00 H new ATOM 0 HA ILE A 21 6.350 -8.452 -15.381 1.00 0.00 H new ATOM 0 HB ILE A 21 7.217 -8.410 -12.459 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.555 -7.550 -13.609 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.845 -9.205 -13.113 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.737 -5.995 -12.569 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.047 -6.456 -13.682 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.413 -6.143 -14.313 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.752 -7.934 -11.330 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.382 -8.439 -10.827 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.088 -6.758 -11.332 1.00 0.00 H new ATOM 326 N VAL A 22 9.305 -9.318 -14.178 1.00 0.00 N ATOM 327 CA VAL A 22 10.742 -9.219 -14.404 1.00 0.00 C ATOM 328 C VAL A 22 11.119 -9.748 -15.784 1.00 0.00 C ATOM 329 O VAL A 22 11.979 -9.186 -16.461 1.00 0.00 O ATOM 330 CB VAL A 22 11.534 -9.995 -13.335 1.00 0.00 C ATOM 331 CG1 VAL A 22 13.028 -9.904 -13.606 1.00 0.00 C ATOM 332 CG2 VAL A 22 11.203 -9.474 -11.945 1.00 0.00 C ATOM 0 H VAL A 22 9.039 -9.962 -13.433 1.00 0.00 H new ATOM 0 HA VAL A 22 11.000 -8.162 -14.340 1.00 0.00 H new ATOM 0 HB VAL A 22 11.244 -11.045 -13.383 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.571 -10.458 -12.840 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.247 -10.329 -14.586 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.338 -8.859 -13.586 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.771 -10.033 -11.202 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.463 -8.417 -11.881 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.137 -9.597 -11.755 1.00 0.00 H new ATOM 342 N SER A 23 10.468 -10.832 -16.194 1.00 0.00 N ATOM 343 CA SER A 23 10.737 -11.439 -17.492 1.00 0.00 C ATOM 344 C SER A 23 10.253 -10.538 -18.624 1.00 0.00 C ATOM 345 O SER A 23 10.951 -10.341 -19.618 1.00 0.00 O ATOM 346 CB SER A 23 10.060 -12.808 -17.588 1.00 0.00 C ATOM 347 OG SER A 23 10.151 -13.330 -18.902 1.00 0.00 O ATOM 0 H SER A 23 9.751 -11.308 -15.646 1.00 0.00 H new ATOM 0 HA SER A 23 11.815 -11.567 -17.590 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.527 -13.498 -16.886 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.012 -12.720 -17.300 1.00 0.00 H new ATOM 0 HG SER A 23 9.713 -14.206 -18.937 1.00 0.00 H new ATOM 353 N LYS A 24 9.051 -9.994 -18.465 1.00 0.00 N ATOM 354 CA LYS A 24 8.471 -9.113 -19.472 1.00 0.00 C ATOM 355 C LYS A 24 9.293 -7.836 -19.616 1.00 0.00 C ATOM 356 O LYS A 24 9.576 -7.392 -20.728 1.00 0.00 O ATOM 357 CB LYS A 24 7.027 -8.764 -19.102 1.00 0.00 C ATOM 358 CG LYS A 24 6.107 -8.632 -20.304 1.00 0.00 C ATOM 359 CD LYS A 24 5.989 -7.187 -20.759 1.00 0.00 C ATOM 360 CE LYS A 24 4.643 -6.916 -21.412 1.00 0.00 C ATOM 361 NZ LYS A 24 4.402 -5.459 -21.604 1.00 0.00 N ATOM 0 H LYS A 24 8.460 -10.148 -17.648 1.00 0.00 H new ATOM 0 HA LYS A 24 8.479 -9.638 -20.427 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.635 -9.534 -18.437 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.020 -7.827 -18.545 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.487 -9.243 -21.123 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.119 -9.017 -20.051 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.120 -6.524 -19.904 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.789 -6.960 -21.464 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.599 -7.421 -22.377 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.849 -7.337 -20.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.474 -5.317 -22.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.418 -4.980 -20.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.145 -5.062 -22.213 1.00 0.00 H new ATOM 375 N ALA A 25 9.673 -7.252 -18.484 1.00 0.00 N ATOM 376 CA ALA A 25 10.465 -6.028 -18.485 1.00 0.00 C ATOM 377 C ALA A 25 11.793 -6.235 -19.206 1.00 0.00 C ATOM 378 O ALA A 25 12.233 -5.379 -19.974 1.00 0.00 O ATOM 379 CB ALA A 25 10.704 -5.553 -17.060 1.00 0.00 C ATOM 0 H ALA A 25 9.445 -7.607 -17.555 1.00 0.00 H new ATOM 0 HA ALA A 25 9.905 -5.262 -19.022 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.297 -4.638 -17.076 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.747 -5.357 -16.576 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.240 -6.323 -16.505 1.00 0.00 H new ATOM 385 N ARG A 26 12.428 -7.375 -18.952 1.00 0.00 N ATOM 386 CA ARG A 26 13.707 -7.692 -19.575 1.00 0.00 C ATOM 387 C ARG A 26 13.542 -7.904 -21.077 1.00 0.00 C ATOM 388 O ARG A 26 14.322 -7.386 -21.877 1.00 0.00 O ATOM 389 CB ARG A 26 14.313 -8.943 -18.936 1.00 0.00 C ATOM 390 CG ARG A 26 15.724 -8.735 -18.409 1.00 0.00 C ATOM 391 CD ARG A 26 15.875 -9.274 -16.995 1.00 0.00 C ATOM 392 NE ARG A 26 15.600 -10.706 -16.923 1.00 0.00 N ATOM 393 CZ ARG A 26 15.597 -11.398 -15.789 1.00 0.00 C ATOM 394 NH1 ARG A 26 15.853 -10.791 -14.638 1.00 0.00 N ATOM 395 NH2 ARG A 26 15.336 -12.699 -15.804 1.00 0.00 N ATOM 0 H ARG A 26 12.077 -8.094 -18.319 1.00 0.00 H new ATOM 0 HA ARG A 26 14.379 -6.849 -19.416 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.672 -9.269 -18.116 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.324 -9.748 -19.671 1.00 0.00 H new ATOM 0 HG2 ARG A 26 16.436 -9.232 -19.067 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.966 -7.672 -18.422 1.00 0.00 H new ATOM 0 HD2 ARG A 26 16.887 -9.081 -16.640 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.196 -8.741 -16.329 1.00 0.00 H new ATOM 0 HE ARG A 26 15.399 -11.202 -17.791 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.053 -9.791 -14.622 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.850 -11.324 -13.769 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.137 -13.169 -16.687 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.334 -13.229 -14.932 1.00 0.00 H new ATOM 409 N LYS A 27 12.524 -8.670 -21.453 1.00 0.00 N ATOM 410 CA LYS A 27 12.255 -8.950 -22.858 1.00 0.00 C ATOM 411 C LYS A 27 11.973 -7.663 -23.626 1.00 0.00 C ATOM 412 O LYS A 27 12.447 -7.481 -24.748 1.00 0.00 O ATOM 413 CB LYS A 27 11.067 -9.906 -22.991 1.00 0.00 C ATOM 414 CG LYS A 27 10.623 -10.130 -24.426 1.00 0.00 C ATOM 415 CD LYS A 27 9.439 -9.248 -24.787 1.00 0.00 C ATOM 416 CE LYS A 27 8.176 -9.687 -24.061 1.00 0.00 C ATOM 417 NZ LYS A 27 7.016 -9.804 -24.988 1.00 0.00 N ATOM 0 H LYS A 27 11.871 -9.108 -20.804 1.00 0.00 H new ATOM 0 HA LYS A 27 13.141 -9.420 -23.284 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.333 -10.866 -22.548 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.228 -9.511 -22.418 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.453 -9.921 -25.101 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.354 -11.177 -24.565 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.665 -8.212 -24.533 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.272 -9.283 -25.864 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.351 -10.647 -23.575 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.941 -8.970 -23.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.175 -10.105 -24.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.832 -8.882 -25.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.229 -10.507 -25.724 1.00 0.00 H new ATOM 431 N TYR A 28 11.200 -6.772 -23.015 1.00 0.00 N ATOM 432 CA TYR A 28 10.855 -5.502 -23.642 1.00 0.00 C ATOM 433 C TYR A 28 12.077 -4.595 -23.744 1.00 0.00 C ATOM 434 O TYR A 28 12.303 -3.952 -24.769 1.00 0.00 O ATOM 435 CB TYR A 28 9.751 -4.801 -22.848 1.00 0.00 C ATOM 436 CG TYR A 28 8.705 -4.141 -23.718 1.00 0.00 C ATOM 437 CD1 TYR A 28 8.884 -2.849 -24.194 1.00 0.00 C ATOM 438 CD2 TYR A 28 7.538 -4.812 -24.065 1.00 0.00 C ATOM 439 CE1 TYR A 28 7.930 -2.242 -24.989 1.00 0.00 C ATOM 440 CE2 TYR A 28 6.580 -4.214 -24.860 1.00 0.00 C ATOM 441 CZ TYR A 28 6.781 -2.928 -25.319 1.00 0.00 C ATOM 442 OH TYR A 28 5.829 -2.328 -26.112 1.00 0.00 O ATOM 0 H TYR A 28 10.801 -6.906 -22.086 1.00 0.00 H new ATOM 0 HA TYR A 28 10.494 -5.709 -24.649 1.00 0.00 H new ATOM 0 HB2 TYR A 28 9.265 -5.528 -22.198 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.202 -4.048 -22.202 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.784 -2.309 -23.939 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.378 -5.818 -23.707 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.084 -1.236 -25.350 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.679 -4.749 -25.121 1.00 0.00 H new ATOM 0 HH TYR A 28 5.082 -2.947 -26.251 1.00 0.00 H new ATOM 452 N ARG A 29 12.863 -4.549 -22.673 1.00 0.00 N ATOM 453 CA ARG A 29 14.062 -3.721 -22.640 1.00 0.00 C ATOM 454 C ARG A 29 15.071 -4.183 -23.688 1.00 0.00 C ATOM 455 O ARG A 29 15.609 -3.374 -24.444 1.00 0.00 O ATOM 456 CB ARG A 29 14.700 -3.763 -21.250 1.00 0.00 C ATOM 457 CG ARG A 29 15.487 -2.510 -20.903 1.00 0.00 C ATOM 458 CD ARG A 29 16.923 -2.842 -20.528 1.00 0.00 C ATOM 459 NE ARG A 29 17.055 -3.181 -19.114 1.00 0.00 N ATOM 460 CZ ARG A 29 17.045 -2.280 -18.138 1.00 0.00 C ATOM 461 NH1 ARG A 29 16.909 -0.992 -18.421 1.00 0.00 N ATOM 462 NH2 ARG A 29 17.170 -2.667 -16.875 1.00 0.00 N ATOM 0 H ARG A 29 12.691 -5.076 -21.817 1.00 0.00 H new ATOM 0 HA ARG A 29 13.770 -2.696 -22.867 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.918 -3.909 -20.505 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.363 -4.626 -21.190 1.00 0.00 H new ATOM 0 HG2 ARG A 29 15.480 -1.827 -21.753 1.00 0.00 H new ATOM 0 HG3 ARG A 29 15.003 -1.993 -20.074 1.00 0.00 H new ATOM 0 HD2 ARG A 29 17.272 -3.677 -21.135 1.00 0.00 H new ATOM 0 HD3 ARG A 29 17.564 -1.991 -20.758 1.00 0.00 H new ATOM 0 HE ARG A 29 17.161 -4.164 -18.862 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.812 -0.690 -19.391 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.902 -0.303 -17.669 1.00 0.00 H new ATOM 0 HH21 ARG A 29 17.274 -3.657 -16.653 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.162 -1.974 -16.126 1.00 0.00 H new ATOM 476 N GLN A 30 15.321 -5.488 -23.726 1.00 0.00 N ATOM 477 CA GLN A 30 16.265 -6.057 -24.680 1.00 0.00 C ATOM 478 C GLN A 30 15.750 -5.912 -26.108 1.00 0.00 C ATOM 479 O GLN A 30 16.502 -5.558 -27.017 1.00 0.00 O ATOM 480 CB GLN A 30 16.517 -7.532 -24.363 1.00 0.00 C ATOM 481 CG GLN A 30 17.377 -8.239 -25.398 1.00 0.00 C ATOM 482 CD GLN A 30 17.554 -9.715 -25.101 1.00 0.00 C ATOM 483 OE1 GLN A 30 17.247 -10.179 -24.002 1.00 0.00 O ATOM 484 NE2 GLN A 30 18.050 -10.461 -26.081 1.00 0.00 N ATOM 0 H GLN A 30 14.883 -6.171 -23.107 1.00 0.00 H new ATOM 0 HA GLN A 30 17.203 -5.509 -24.595 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.000 -7.608 -23.389 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.559 -8.047 -24.286 1.00 0.00 H new ATOM 0 HG2 GLN A 30 16.923 -8.122 -26.382 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.356 -7.761 -25.439 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.290 -10.034 -26.976 1.00 0.00 H new ATOM 0 HE22 GLN A 30 18.191 -11.461 -25.939 1.00 0.00 H new ATOM 493 N ASP A 31 14.465 -6.188 -26.299 1.00 0.00 N ATOM 494 CA ASP A 31 13.849 -6.088 -27.617 1.00 0.00 C ATOM 495 C ASP A 31 13.881 -4.650 -28.124 1.00 0.00 C ATOM 496 O ASP A 31 14.131 -4.401 -29.303 1.00 0.00 O ATOM 497 CB ASP A 31 12.406 -6.593 -27.568 1.00 0.00 C ATOM 498 CG ASP A 31 11.652 -6.316 -28.854 1.00 0.00 C ATOM 499 OD1 ASP A 31 11.077 -5.214 -28.980 1.00 0.00 O ATOM 500 OD2 ASP A 31 11.637 -7.201 -29.735 1.00 0.00 O ATOM 0 H ASP A 31 13.829 -6.483 -25.558 1.00 0.00 H new ATOM 0 HA ASP A 31 14.420 -6.710 -28.306 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.406 -7.666 -27.374 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.886 -6.118 -26.736 1.00 0.00 H new ATOM 505 N LYS A 32 13.624 -3.705 -27.225 1.00 0.00 N ATOM 506 CA LYS A 32 13.623 -2.291 -27.580 1.00 0.00 C ATOM 507 C LYS A 32 15.036 -1.807 -27.889 1.00 0.00 C ATOM 508 O LYS A 32 15.260 -1.100 -28.873 1.00 0.00 O ATOM 509 CB LYS A 32 13.024 -1.459 -26.444 1.00 0.00 C ATOM 510 CG LYS A 32 12.852 0.009 -26.790 1.00 0.00 C ATOM 511 CD LYS A 32 12.915 0.886 -25.551 1.00 0.00 C ATOM 512 CE LYS A 32 11.683 0.705 -24.677 1.00 0.00 C ATOM 513 NZ LYS A 32 11.551 1.795 -23.671 1.00 0.00 N ATOM 0 H LYS A 32 13.414 -3.894 -26.245 1.00 0.00 H new ATOM 0 HA LYS A 32 13.012 -2.167 -28.474 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.054 -1.876 -26.172 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.664 -1.544 -25.566 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.630 0.312 -27.491 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.896 0.156 -27.292 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.809 0.643 -24.977 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.002 1.931 -25.848 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.793 0.681 -25.305 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.739 -0.256 -24.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.700 1.635 -23.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.389 1.802 -23.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.472 2.710 -24.159 1.00 0.00 H new ATOM 527 N LEU A 33 15.986 -2.192 -27.044 1.00 0.00 N ATOM 528 CA LEU A 33 17.379 -1.798 -27.227 1.00 0.00 C ATOM 529 C LEU A 33 17.944 -2.383 -28.518 1.00 0.00 C ATOM 530 O LEU A 33 18.646 -1.701 -29.266 1.00 0.00 O ATOM 531 CB LEU A 33 18.220 -2.256 -26.035 1.00 0.00 C ATOM 532 CG LEU A 33 18.043 -1.458 -24.742 1.00 0.00 C ATOM 533 CD1 LEU A 33 18.480 -2.283 -23.542 1.00 0.00 C ATOM 534 CD2 LEU A 33 18.825 -0.154 -24.809 1.00 0.00 C ATOM 0 H LEU A 33 15.817 -2.777 -26.225 1.00 0.00 H new ATOM 0 HA LEU A 33 17.418 -0.711 -27.294 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.984 -3.300 -25.829 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.271 -2.217 -26.321 1.00 0.00 H new ATOM 0 HG LEU A 33 16.986 -1.219 -24.627 1.00 0.00 H new ATOM 0 HD11 LEU A 33 18.347 -1.699 -22.631 1.00 0.00 H new ATOM 0 HD12 LEU A 33 17.876 -3.189 -23.484 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.530 -2.553 -23.649 1.00 0.00 H new ATOM 0 HD21 LEU A 33 18.688 0.401 -23.881 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.884 -0.372 -24.948 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.464 0.444 -25.646 1.00 0.00 H new ATOM 546 N LYS A 34 17.633 -3.648 -28.774 1.00 0.00 N ATOM 547 CA LYS A 34 18.106 -4.325 -29.976 1.00 0.00 C ATOM 548 C LYS A 34 17.498 -3.701 -31.227 1.00 0.00 C ATOM 549 O LYS A 34 18.211 -3.356 -32.169 1.00 0.00 O ATOM 550 CB LYS A 34 17.761 -5.815 -29.916 1.00 0.00 C ATOM 551 CG LYS A 34 18.626 -6.676 -30.821 1.00 0.00 C ATOM 552 CD LYS A 34 19.886 -7.141 -30.110 1.00 0.00 C ATOM 553 CE LYS A 34 20.276 -8.550 -30.532 1.00 0.00 C ATOM 554 NZ LYS A 34 20.073 -9.534 -29.433 1.00 0.00 N ATOM 0 H LYS A 34 17.055 -4.227 -28.165 1.00 0.00 H new ATOM 0 HA LYS A 34 19.189 -4.211 -30.025 1.00 0.00 H new ATOM 0 HB2 LYS A 34 17.866 -6.163 -28.888 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.715 -5.949 -30.192 1.00 0.00 H new ATOM 0 HG2 LYS A 34 18.055 -7.542 -31.155 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.898 -6.110 -31.712 1.00 0.00 H new ATOM 0 HD2 LYS A 34 20.704 -6.455 -30.330 1.00 0.00 H new ATOM 0 HD3 LYS A 34 19.728 -7.113 -29.032 1.00 0.00 H new ATOM 0 HE2 LYS A 34 19.685 -8.846 -31.399 1.00 0.00 H new ATOM 0 HE3 LYS A 34 21.321 -8.561 -30.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.350 -10.482 -29.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.656 -9.266 -28.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.071 -9.543 -29.156 1.00 0.00 H new ATOM 568 N GLN A 35 16.176 -3.559 -31.229 1.00 0.00 N ATOM 569 CA GLN A 35 15.473 -2.975 -32.366 1.00 0.00 C ATOM 570 C GLN A 35 15.947 -1.549 -32.625 1.00 0.00 C ATOM 571 O GLN A 35 16.177 -1.159 -33.769 1.00 0.00 O ATOM 572 CB GLN A 35 13.963 -2.987 -32.119 1.00 0.00 C ATOM 573 CG GLN A 35 13.165 -2.270 -33.196 1.00 0.00 C ATOM 574 CD GLN A 35 11.675 -2.522 -33.082 1.00 0.00 C ATOM 575 OE1 GLN A 35 10.920 -1.658 -32.634 1.00 0.00 O ATOM 576 NE2 GLN A 35 11.241 -3.709 -33.489 1.00 0.00 N ATOM 0 H GLN A 35 15.571 -3.840 -30.457 1.00 0.00 H new ATOM 0 HA GLN A 35 15.695 -3.577 -33.247 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.622 -4.020 -32.053 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.757 -2.521 -31.155 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.355 -1.199 -33.131 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.511 -2.596 -34.177 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.901 -4.396 -33.854 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.247 -3.934 -33.437 1.00 0.00 H new ATOM 585 N ALA A 36 16.089 -0.774 -31.554 1.00 0.00 N ATOM 586 CA ALA A 36 16.536 0.609 -31.666 1.00 0.00 C ATOM 587 C ALA A 36 17.954 0.684 -32.223 1.00 0.00 C ATOM 588 O ALA A 36 18.240 1.481 -33.116 1.00 0.00 O ATOM 589 CB ALA A 36 16.462 1.298 -30.311 1.00 0.00 C ATOM 0 H ALA A 36 15.901 -1.081 -30.600 1.00 0.00 H new ATOM 0 HA ALA A 36 15.873 1.125 -32.361 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.799 2.330 -30.409 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.433 1.284 -29.952 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.101 0.774 -29.601 1.00 0.00 H new ATOM 595 N LYS A 37 18.839 -0.152 -31.689 1.00 0.00 N ATOM 596 CA LYS A 37 20.227 -0.181 -32.133 1.00 0.00 C ATOM 597 C LYS A 37 20.311 -0.326 -33.649 1.00 0.00 C ATOM 598 O LYS A 37 21.081 0.373 -34.309 1.00 0.00 O ATOM 599 CB LYS A 37 20.976 -1.333 -31.458 1.00 0.00 C ATOM 600 CG LYS A 37 22.486 -1.171 -31.477 1.00 0.00 C ATOM 601 CD LYS A 37 23.167 -2.195 -30.585 1.00 0.00 C ATOM 602 CE LYS A 37 24.644 -1.880 -30.402 1.00 0.00 C ATOM 603 NZ LYS A 37 25.513 -2.960 -30.947 1.00 0.00 N ATOM 0 H LYS A 37 18.619 -0.818 -30.948 1.00 0.00 H new ATOM 0 HA LYS A 37 20.692 0.763 -31.850 1.00 0.00 H new ATOM 0 HB2 LYS A 37 20.641 -1.417 -30.424 1.00 0.00 H new ATOM 0 HB3 LYS A 37 20.713 -2.267 -31.955 1.00 0.00 H new ATOM 0 HG2 LYS A 37 22.851 -1.276 -32.498 1.00 0.00 H new ATOM 0 HG3 LYS A 37 22.749 -0.166 -31.146 1.00 0.00 H new ATOM 0 HD2 LYS A 37 22.675 -2.216 -29.612 1.00 0.00 H new ATOM 0 HD3 LYS A 37 23.057 -3.188 -31.020 1.00 0.00 H new ATOM 0 HE2 LYS A 37 24.879 -0.939 -30.899 1.00 0.00 H new ATOM 0 HE3 LYS A 37 24.857 -1.742 -29.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 26.512 -2.708 -30.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 25.307 -3.853 -30.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 25.328 -3.074 -31.964 1.00 0.00 H new ATOM 617 N THR A 38 19.513 -1.236 -34.198 1.00 0.00 N ATOM 618 CA THR A 38 19.497 -1.472 -35.636 1.00 0.00 C ATOM 619 C THR A 38 19.085 -0.215 -36.394 1.00 0.00 C ATOM 620 O THR A 38 19.693 0.138 -37.405 1.00 0.00 O ATOM 621 CB THR A 38 18.537 -2.619 -36.006 1.00 0.00 C ATOM 622 OG1 THR A 38 18.650 -3.680 -35.051 1.00 0.00 O ATOM 623 CG2 THR A 38 18.841 -3.149 -37.399 1.00 0.00 C ATOM 0 H THR A 38 18.869 -1.822 -33.668 1.00 0.00 H new ATOM 0 HA THR A 38 20.511 -1.750 -35.923 1.00 0.00 H new ATOM 0 HB THR A 38 17.519 -2.230 -35.996 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.035 -4.404 -35.292 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.151 -3.958 -37.639 1.00 0.00 H new ATOM 0 HG22 THR A 38 18.726 -2.346 -38.127 1.00 0.00 H new ATOM 0 HG23 THR A 38 19.864 -3.523 -37.431 1.00 0.00 H new ATOM 631 N ASP A 39 18.051 0.456 -35.900 1.00 0.00 N ATOM 632 CA ASP A 39 17.559 1.675 -36.531 1.00 0.00 C ATOM 633 C ASP A 39 18.647 2.744 -36.569 1.00 0.00 C ATOM 634 O ASP A 39 18.845 3.406 -37.587 1.00 0.00 O ATOM 635 CB ASP A 39 16.334 2.204 -35.783 1.00 0.00 C ATOM 636 CG ASP A 39 15.077 2.162 -36.629 1.00 0.00 C ATOM 637 OD1 ASP A 39 14.855 3.111 -37.408 1.00 0.00 O ATOM 638 OD2 ASP A 39 14.314 1.179 -36.510 1.00 0.00 O ATOM 0 H ASP A 39 17.537 0.177 -35.064 1.00 0.00 H new ATOM 0 HA ASP A 39 17.274 1.435 -37.555 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.180 1.614 -34.880 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.521 3.230 -35.465 1.00 0.00 H new ATOM 643 N ALA A 40 19.349 2.907 -35.453 1.00 0.00 N ATOM 644 CA ALA A 40 20.418 3.894 -35.359 1.00 0.00 C ATOM 645 C ALA A 40 21.546 3.576 -36.335 1.00 0.00 C ATOM 646 O ALA A 40 22.031 4.456 -37.045 1.00 0.00 O ATOM 647 CB ALA A 40 20.952 3.960 -33.936 1.00 0.00 C ATOM 0 H ALA A 40 19.197 2.368 -34.601 1.00 0.00 H new ATOM 0 HA ALA A 40 20.005 4.867 -35.626 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.750 4.701 -33.881 1.00 0.00 H new ATOM 0 HB2 ALA A 40 20.147 4.242 -33.258 1.00 0.00 H new ATOM 0 HB3 ALA A 40 21.343 2.984 -33.648 1.00 0.00 H new ATOM 653 N ALA A 41 21.958 2.313 -36.364 1.00 0.00 N ATOM 654 CA ALA A 41 23.028 1.880 -37.254 1.00 0.00 C ATOM 655 C ALA A 41 22.672 2.147 -38.712 1.00 0.00 C ATOM 656 O ALA A 41 23.496 2.638 -39.484 1.00 0.00 O ATOM 657 CB ALA A 41 23.324 0.402 -37.044 1.00 0.00 C ATOM 0 H ALA A 41 21.567 1.572 -35.782 1.00 0.00 H new ATOM 0 HA ALA A 41 23.921 2.456 -37.014 1.00 0.00 H new ATOM 0 HB1 ALA A 41 24.125 0.092 -37.715 1.00 0.00 H new ATOM 0 HB2 ALA A 41 23.631 0.236 -36.011 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.428 -0.182 -37.255 1.00 0.00 H new ATOM 663 N LYS A 42 21.439 1.821 -39.085 1.00 0.00 N ATOM 664 CA LYS A 42 20.972 2.027 -40.450 1.00 0.00 C ATOM 665 C LYS A 42 20.866 3.514 -40.771 1.00 0.00 C ATOM 666 O LYS A 42 21.139 3.937 -41.894 1.00 0.00 O ATOM 667 CB LYS A 42 19.613 1.353 -40.654 1.00 0.00 C ATOM 668 CG LYS A 42 19.453 0.707 -42.019 1.00 0.00 C ATOM 669 CD LYS A 42 18.066 0.112 -42.195 1.00 0.00 C ATOM 670 CE LYS A 42 17.951 -1.244 -41.515 1.00 0.00 C ATOM 671 NZ LYS A 42 17.129 -2.196 -42.311 1.00 0.00 N ATOM 0 H LYS A 42 20.745 1.412 -38.460 1.00 0.00 H new ATOM 0 HA LYS A 42 21.699 1.578 -41.127 1.00 0.00 H new ATOM 0 HB2 LYS A 42 19.474 0.594 -39.884 1.00 0.00 H new ATOM 0 HB3 LYS A 42 18.825 2.094 -40.517 1.00 0.00 H new ATOM 0 HG2 LYS A 42 19.633 1.449 -42.797 1.00 0.00 H new ATOM 0 HG3 LYS A 42 20.203 -0.074 -42.143 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.322 0.792 -41.781 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.846 0.007 -43.257 1.00 0.00 H new ATOM 0 HE2 LYS A 42 18.947 -1.661 -41.366 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.507 -1.118 -40.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.075 -3.108 -41.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.171 -1.810 -42.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.566 -2.336 -43.244 1.00 0.00 H new ATOM 685 N GLU A 43 20.470 4.303 -39.777 1.00 0.00 N ATOM 686 CA GLU A 43 20.330 5.743 -39.955 1.00 0.00 C ATOM 687 C GLU A 43 21.681 6.390 -40.246 1.00 0.00 C ATOM 688 O GLU A 43 21.805 7.213 -41.153 1.00 0.00 O ATOM 689 CB GLU A 43 19.707 6.376 -38.709 1.00 0.00 C ATOM 690 CG GLU A 43 19.040 7.715 -38.974 1.00 0.00 C ATOM 691 CD GLU A 43 18.812 8.514 -37.706 1.00 0.00 C ATOM 692 OE1 GLU A 43 19.721 9.273 -37.311 1.00 0.00 O ATOM 693 OE2 GLU A 43 17.723 8.380 -37.108 1.00 0.00 O ATOM 0 H GLU A 43 20.241 3.969 -38.841 1.00 0.00 H new ATOM 0 HA GLU A 43 19.673 5.915 -40.808 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.970 5.689 -38.293 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.482 6.509 -37.954 1.00 0.00 H new ATOM 0 HG2 GLU A 43 19.658 8.296 -39.659 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.084 7.549 -39.471 1.00 0.00 H new ATOM 700 N ILE A 44 22.691 6.011 -39.470 1.00 0.00 N ATOM 701 CA ILE A 44 24.033 6.552 -39.644 1.00 0.00 C ATOM 702 C ILE A 44 24.664 6.050 -40.938 1.00 0.00 C ATOM 703 O ILE A 44 25.288 6.815 -41.674 1.00 0.00 O ATOM 704 CB ILE A 44 24.947 6.181 -38.462 1.00 0.00 C ATOM 705 CG1 ILE A 44 24.332 6.656 -37.144 1.00 0.00 C ATOM 706 CG2 ILE A 44 26.331 6.783 -38.654 1.00 0.00 C ATOM 707 CD1 ILE A 44 24.995 6.064 -35.920 1.00 0.00 C ATOM 0 H ILE A 44 22.605 5.331 -38.714 1.00 0.00 H new ATOM 0 HA ILE A 44 23.933 7.637 -39.688 1.00 0.00 H new ATOM 0 HB ILE A 44 25.045 5.096 -38.425 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.397 7.743 -37.093 1.00 0.00 H new ATOM 0 HG13 ILE A 44 23.273 6.399 -37.133 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.966 6.512 -37.810 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.769 6.400 -39.576 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.251 7.868 -38.714 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.508 6.445 -35.022 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.907 4.978 -35.948 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.049 6.342 -35.907 1.00 0.00 H new ATOM 719 N ASP A 45 24.497 4.761 -41.210 1.00 0.00 N ATOM 720 CA ASP A 45 25.048 4.156 -42.418 1.00 0.00 C ATOM 721 C ASP A 45 24.391 4.739 -43.665 1.00 0.00 C ATOM 722 O ASP A 45 25.072 5.101 -44.625 1.00 0.00 O ATOM 723 CB ASP A 45 24.857 2.639 -42.387 1.00 0.00 C ATOM 724 CG ASP A 45 25.900 1.907 -43.207 1.00 0.00 C ATOM 725 OD1 ASP A 45 26.983 2.484 -43.439 1.00 0.00 O ATOM 726 OD2 ASP A 45 25.634 0.758 -43.619 1.00 0.00 O ATOM 0 H ASP A 45 23.984 4.114 -40.611 1.00 0.00 H new ATOM 0 HA ASP A 45 26.114 4.379 -42.453 1.00 0.00 H new ATOM 0 HB2 ASP A 45 24.901 2.291 -41.355 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.864 2.393 -42.764 1.00 0.00 H new ATOM 731 N SER A 46 23.065 4.825 -43.645 1.00 0.00 N ATOM 732 CA SER A 46 22.316 5.359 -44.776 1.00 0.00 C ATOM 733 C SER A 46 22.637 6.835 -44.992 1.00 0.00 C ATOM 734 O SER A 46 22.843 7.278 -46.123 1.00 0.00 O ATOM 735 CB SER A 46 20.814 5.179 -44.551 1.00 0.00 C ATOM 736 OG SER A 46 20.086 5.434 -45.740 1.00 0.00 O ATOM 0 H SER A 46 22.487 4.532 -42.857 1.00 0.00 H new ATOM 0 HA SER A 46 22.611 4.807 -45.668 1.00 0.00 H new ATOM 0 HB2 SER A 46 20.613 4.164 -44.209 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.478 5.853 -43.763 1.00 0.00 H new ATOM 0 HG SER A 46 19.129 5.311 -45.570 1.00 0.00 H new ATOM 742 N TYR A 47 22.677 7.590 -43.901 1.00 0.00 N ATOM 743 CA TYR A 47 22.970 9.017 -43.969 1.00 0.00 C ATOM 744 C TYR A 47 24.406 9.257 -44.426 1.00 0.00 C ATOM 745 O TYR A 47 24.691 10.220 -45.139 1.00 0.00 O ATOM 746 CB TYR A 47 22.740 9.672 -42.607 1.00 0.00 C ATOM 747 CG TYR A 47 22.695 11.183 -42.661 1.00 0.00 C ATOM 748 CD1 TYR A 47 21.497 11.855 -42.867 1.00 0.00 C ATOM 749 CD2 TYR A 47 23.851 11.938 -42.505 1.00 0.00 C ATOM 750 CE1 TYR A 47 21.452 13.235 -42.918 1.00 0.00 C ATOM 751 CE2 TYR A 47 23.815 13.318 -42.553 1.00 0.00 C ATOM 752 CZ TYR A 47 22.613 13.962 -42.760 1.00 0.00 C ATOM 753 OH TYR A 47 22.572 15.336 -42.809 1.00 0.00 O ATOM 0 H TYR A 47 22.510 7.238 -42.958 1.00 0.00 H new ATOM 0 HA TYR A 47 22.296 9.466 -44.698 1.00 0.00 H new ATOM 0 HB2 TYR A 47 21.803 9.304 -42.190 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.534 9.365 -41.927 1.00 0.00 H new ATOM 0 HD1 TYR A 47 20.585 11.289 -42.989 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.794 11.437 -42.343 1.00 0.00 H new ATOM 0 HE1 TYR A 47 20.512 13.742 -43.081 1.00 0.00 H new ATOM 0 HE2 TYR A 47 24.723 13.890 -42.429 1.00 0.00 H new ATOM 0 HH TYR A 47 23.474 15.695 -42.679 1.00 0.00 H new ATOM 763 N LYS A 48 25.307 8.374 -44.010 1.00 0.00 N ATOM 764 CA LYS A 48 26.714 8.486 -44.376 1.00 0.00 C ATOM 765 C LYS A 48 26.914 8.205 -45.861 1.00 0.00 C ATOM 766 O LYS A 48 27.647 8.922 -46.545 1.00 0.00 O ATOM 767 CB LYS A 48 27.557 7.516 -43.544 1.00 0.00 C ATOM 768 CG LYS A 48 29.053 7.743 -43.678 1.00 0.00 C ATOM 769 CD LYS A 48 29.827 6.440 -43.565 1.00 0.00 C ATOM 770 CE LYS A 48 30.606 6.142 -44.837 1.00 0.00 C ATOM 771 NZ LYS A 48 31.821 6.995 -44.955 1.00 0.00 N ATOM 0 H LYS A 48 25.088 7.572 -43.419 1.00 0.00 H new ATOM 0 HA LYS A 48 27.037 9.507 -44.171 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.276 7.611 -42.495 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.324 6.495 -43.845 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.266 8.212 -44.639 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.388 8.434 -42.905 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.514 6.496 -42.721 1.00 0.00 H new ATOM 0 HD3 LYS A 48 29.136 5.622 -43.360 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.897 5.092 -44.847 1.00 0.00 H new ATOM 0 HE3 LYS A 48 29.964 6.303 -45.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 32.325 6.762 -45.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 31.542 7.997 -44.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 32.446 6.823 -44.142 1.00 0.00 H new ATOM 785 N ILE A 49 26.258 7.161 -46.355 1.00 0.00 N ATOM 786 CA ILE A 49 26.362 6.788 -47.760 1.00 0.00 C ATOM 787 C ILE A 49 25.657 7.804 -48.652 1.00 0.00 C ATOM 788 O ILE A 49 26.145 8.143 -49.730 1.00 0.00 O ATOM 789 CB ILE A 49 25.764 5.393 -48.019 1.00 0.00 C ATOM 790 CG1 ILE A 49 26.485 4.341 -47.173 1.00 0.00 C ATOM 791 CG2 ILE A 49 25.853 5.044 -49.497 1.00 0.00 C ATOM 792 CD1 ILE A 49 25.676 3.080 -46.959 1.00 0.00 C ATOM 0 H ILE A 49 25.648 6.558 -45.803 1.00 0.00 H new ATOM 0 HA ILE A 49 27.424 6.769 -48.003 1.00 0.00 H new ATOM 0 HB ILE A 49 24.713 5.405 -47.732 1.00 0.00 H new ATOM 0 HG12 ILE A 49 27.427 4.081 -47.656 1.00 0.00 H new ATOM 0 HG13 ILE A 49 26.732 4.773 -46.203 1.00 0.00 H new ATOM 0 HG21 ILE A 49 25.426 4.055 -49.664 1.00 0.00 H new ATOM 0 HG22 ILE A 49 25.299 5.781 -50.079 1.00 0.00 H new ATOM 0 HG23 ILE A 49 26.897 5.046 -49.809 1.00 0.00 H new ATOM 0 HD11 ILE A 49 26.248 2.379 -46.351 1.00 0.00 H new ATOM 0 HD12 ILE A 49 24.745 3.327 -46.448 1.00 0.00 H new ATOM 0 HD13 ILE A 49 25.451 2.624 -47.923 1.00 0.00 H new ATOM 804 N GLN A 50 24.507 8.289 -48.194 1.00 0.00 N ATOM 805 CA GLN A 50 23.736 9.268 -48.950 1.00 0.00 C ATOM 806 C GLN A 50 24.462 10.608 -49.006 1.00 0.00 C ATOM 807 O GLN A 50 24.508 11.258 -50.050 1.00 0.00 O ATOM 808 CB GLN A 50 22.351 9.450 -48.326 1.00 0.00 C ATOM 809 CG GLN A 50 21.288 9.889 -49.320 1.00 0.00 C ATOM 810 CD GLN A 50 20.200 10.728 -48.679 1.00 0.00 C ATOM 811 OE1 GLN A 50 19.744 10.433 -47.574 1.00 0.00 O ATOM 812 NE2 GLN A 50 19.779 11.780 -49.370 1.00 0.00 N ATOM 0 H GLN A 50 24.089 8.020 -47.303 1.00 0.00 H new ATOM 0 HA GLN A 50 23.622 8.895 -49.968 1.00 0.00 H new ATOM 0 HB2 GLN A 50 22.042 8.511 -47.868 1.00 0.00 H new ATOM 0 HB3 GLN A 50 22.416 10.188 -47.527 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.758 10.461 -50.120 1.00 0.00 H new ATOM 0 HG3 GLN A 50 20.839 9.008 -49.779 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.185 11.987 -50.282 1.00 0.00 H new ATOM 0 HE22 GLN A 50 19.049 12.382 -48.989 1.00 0.00 H new ATOM 821 N LYS A 51 25.027 11.016 -47.875 1.00 0.00 N ATOM 822 CA LYS A 51 25.752 12.279 -47.794 1.00 0.00 C ATOM 823 C LYS A 51 27.042 12.218 -48.605 1.00 0.00 C ATOM 824 O LYS A 51 27.368 13.150 -49.340 1.00 0.00 O ATOM 825 CB LYS A 51 26.069 12.615 -46.335 1.00 0.00 C ATOM 826 CG LYS A 51 26.898 13.877 -46.168 1.00 0.00 C ATOM 827 CD LYS A 51 27.345 14.064 -44.728 1.00 0.00 C ATOM 828 CE LYS A 51 28.851 14.255 -44.632 1.00 0.00 C ATOM 829 NZ LYS A 51 29.224 15.694 -44.552 1.00 0.00 N ATOM 0 H LYS A 51 24.997 10.490 -47.001 1.00 0.00 H new ATOM 0 HA LYS A 51 25.118 13.061 -48.211 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.134 12.729 -45.786 1.00 0.00 H new ATOM 0 HB3 LYS A 51 26.603 11.778 -45.886 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.772 13.828 -46.818 1.00 0.00 H new ATOM 0 HG3 LYS A 51 26.314 14.741 -46.484 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.839 14.929 -44.298 1.00 0.00 H new ATOM 0 HD3 LYS A 51 27.049 13.196 -44.138 1.00 0.00 H new ATOM 0 HE2 LYS A 51 29.228 13.733 -43.753 1.00 0.00 H new ATOM 0 HE3 LYS A 51 29.330 13.803 -45.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 30.258 15.781 -44.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 28.887 16.188 -45.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.788 16.119 -43.709 1.00 0.00 H new ATOM 843 N ASP A 52 27.771 11.117 -48.467 1.00 0.00 N ATOM 844 CA ASP A 52 29.025 10.934 -49.189 1.00 0.00 C ATOM 845 C ASP A 52 28.779 10.854 -50.693 1.00 0.00 C ATOM 846 O ASP A 52 29.513 11.445 -51.485 1.00 0.00 O ATOM 847 CB ASP A 52 29.736 9.668 -48.708 1.00 0.00 C ATOM 848 CG ASP A 52 31.179 9.605 -49.167 1.00 0.00 C ATOM 849 OD1 ASP A 52 31.523 10.306 -50.141 1.00 0.00 O ATOM 850 OD2 ASP A 52 31.965 8.854 -48.551 1.00 0.00 O ATOM 0 H ASP A 52 27.516 10.337 -47.862 1.00 0.00 H new ATOM 0 HA ASP A 52 29.661 11.796 -48.988 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.702 9.627 -47.619 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.202 8.792 -49.077 1.00 0.00 H new ATOM 855 N LYS A 53 27.743 10.118 -51.079 1.00 0.00 N ATOM 856 CA LYS A 53 27.399 9.959 -52.487 1.00 0.00 C ATOM 857 C LYS A 53 26.942 11.284 -53.088 1.00 0.00 C ATOM 858 O LYS A 53 27.318 11.631 -54.207 1.00 0.00 O ATOM 859 CB LYS A 53 26.300 8.907 -52.650 1.00 0.00 C ATOM 860 CG LYS A 53 26.820 7.480 -52.653 1.00 0.00 C ATOM 861 CD LYS A 53 26.948 6.936 -54.066 1.00 0.00 C ATOM 862 CE LYS A 53 25.732 6.110 -54.457 1.00 0.00 C ATOM 863 NZ LYS A 53 24.724 6.922 -55.194 1.00 0.00 N ATOM 0 H LYS A 53 27.126 9.622 -50.436 1.00 0.00 H new ATOM 0 HA LYS A 53 28.292 9.628 -53.018 1.00 0.00 H new ATOM 0 HB2 LYS A 53 25.578 9.020 -51.842 1.00 0.00 H new ATOM 0 HB3 LYS A 53 25.766 9.092 -53.582 1.00 0.00 H new ATOM 0 HG2 LYS A 53 27.791 7.445 -52.159 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.146 6.845 -52.077 1.00 0.00 H new ATOM 0 HD2 LYS A 53 27.068 7.763 -54.766 1.00 0.00 H new ATOM 0 HD3 LYS A 53 27.846 6.322 -54.141 1.00 0.00 H new ATOM 0 HE2 LYS A 53 26.047 5.271 -55.078 1.00 0.00 H new ATOM 0 HE3 LYS A 53 25.275 5.690 -53.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 23.911 6.323 -55.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 24.404 7.708 -54.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.152 7.302 -56.062 1.00 0.00 H new ATOM 877 N GLU A 54 26.129 12.021 -52.337 1.00 0.00 N ATOM 878 CA GLU A 54 25.622 13.308 -52.796 1.00 0.00 C ATOM 879 C GLU A 54 26.755 14.321 -52.937 1.00 0.00 C ATOM 880 O GLU A 54 26.796 15.095 -53.894 1.00 0.00 O ATOM 881 CB GLU A 54 24.565 13.841 -51.827 1.00 0.00 C ATOM 882 CG GLU A 54 23.949 15.160 -52.261 1.00 0.00 C ATOM 883 CD GLU A 54 22.692 15.502 -51.485 1.00 0.00 C ATOM 884 OE1 GLU A 54 22.814 16.024 -50.358 1.00 0.00 O ATOM 885 OE2 GLU A 54 21.586 15.246 -52.006 1.00 0.00 O ATOM 0 H GLU A 54 25.808 11.748 -51.408 1.00 0.00 H new ATOM 0 HA GLU A 54 25.166 13.160 -53.775 1.00 0.00 H new ATOM 0 HB2 GLU A 54 23.774 13.098 -51.721 1.00 0.00 H new ATOM 0 HB3 GLU A 54 25.017 13.967 -50.843 1.00 0.00 H new ATOM 0 HG2 GLU A 54 24.680 15.958 -52.131 1.00 0.00 H new ATOM 0 HG3 GLU A 54 23.713 15.114 -53.324 1.00 0.00 H new ATOM 892 N LEU A 55 27.673 14.309 -51.976 1.00 0.00 N ATOM 893 CA LEU A 55 28.807 15.227 -51.991 1.00 0.00 C ATOM 894 C LEU A 55 29.791 14.858 -53.097 1.00 0.00 C ATOM 895 O LEU A 55 30.354 15.731 -53.758 1.00 0.00 O ATOM 896 CB LEU A 55 29.517 15.213 -50.636 1.00 0.00 C ATOM 897 CG LEU A 55 30.117 16.544 -50.180 1.00 0.00 C ATOM 898 CD1 LEU A 55 29.755 16.822 -48.729 1.00 0.00 C ATOM 899 CD2 LEU A 55 31.627 16.539 -50.363 1.00 0.00 C ATOM 0 H LEU A 55 27.654 13.674 -51.178 1.00 0.00 H new ATOM 0 HA LEU A 55 28.429 16.230 -52.186 1.00 0.00 H new ATOM 0 HB2 LEU A 55 28.807 14.879 -49.879 1.00 0.00 H new ATOM 0 HB3 LEU A 55 30.315 14.471 -50.674 1.00 0.00 H new ATOM 0 HG LEU A 55 29.699 17.340 -50.797 1.00 0.00 H new ATOM 0 HD11 LEU A 55 30.190 17.773 -48.421 1.00 0.00 H new ATOM 0 HD12 LEU A 55 28.671 16.869 -48.627 1.00 0.00 H new ATOM 0 HD13 LEU A 55 30.144 16.023 -48.097 1.00 0.00 H new ATOM 0 HD21 LEU A 55 32.037 17.494 -50.033 1.00 0.00 H new ATOM 0 HD22 LEU A 55 32.063 15.734 -49.771 1.00 0.00 H new ATOM 0 HD23 LEU A 55 31.865 16.386 -51.416 1.00 0.00 H new ATOM 911 N LYS A 56 29.992 13.560 -53.294 1.00 0.00 N ATOM 912 CA LYS A 56 30.905 13.074 -54.322 1.00 0.00 C ATOM 913 C LYS A 56 30.446 13.512 -55.709 1.00 0.00 C ATOM 914 O LYS A 56 31.263 13.848 -56.565 1.00 0.00 O ATOM 915 CB LYS A 56 31.004 11.548 -54.265 1.00 0.00 C ATOM 916 CG LYS A 56 32.131 10.979 -55.110 1.00 0.00 C ATOM 917 CD LYS A 56 31.656 9.816 -55.964 1.00 0.00 C ATOM 918 CE LYS A 56 32.681 9.448 -57.026 1.00 0.00 C ATOM 919 NZ LYS A 56 33.933 8.909 -56.425 1.00 0.00 N ATOM 0 H LYS A 56 29.535 12.825 -52.755 1.00 0.00 H new ATOM 0 HA LYS A 56 31.888 13.504 -54.131 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.147 11.240 -53.229 1.00 0.00 H new ATOM 0 HB3 LYS A 56 30.059 11.118 -54.598 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.536 11.761 -55.752 1.00 0.00 H new ATOM 0 HG3 LYS A 56 32.942 10.648 -54.461 1.00 0.00 H new ATOM 0 HD2 LYS A 56 31.463 8.952 -55.328 1.00 0.00 H new ATOM 0 HD3 LYS A 56 30.712 10.077 -56.443 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.254 8.707 -57.702 1.00 0.00 H new ATOM 0 HE3 LYS A 56 32.915 10.328 -57.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 34.606 8.670 -57.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.354 9.625 -55.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.714 8.055 -55.874 1.00 0.00 H new ATOM 933 N GLU A 57 29.133 13.507 -55.922 1.00 0.00 N ATOM 934 CA GLU A 57 28.567 13.906 -57.205 1.00 0.00 C ATOM 935 C GLU A 57 29.027 12.968 -58.318 1.00 0.00 C ATOM 936 O GLU A 57 29.878 12.104 -58.104 1.00 0.00 O ATOM 937 CB GLU A 57 28.965 15.345 -57.539 1.00 0.00 C ATOM 938 CG GLU A 57 27.807 16.326 -57.481 1.00 0.00 C ATOM 939 CD GLU A 57 26.793 16.098 -58.584 1.00 0.00 C ATOM 940 OE1 GLU A 57 26.084 15.071 -58.537 1.00 0.00 O ATOM 941 OE2 GLU A 57 26.708 16.947 -59.496 1.00 0.00 O ATOM 0 H GLU A 57 28.443 13.231 -55.223 1.00 0.00 H new ATOM 0 HA GLU A 57 27.481 13.846 -57.128 1.00 0.00 H new ATOM 0 HB2 GLU A 57 29.740 15.669 -56.844 1.00 0.00 H new ATOM 0 HB3 GLU A 57 29.401 15.370 -58.538 1.00 0.00 H new ATOM 0 HG2 GLU A 57 27.312 16.240 -56.514 1.00 0.00 H new ATOM 0 HG3 GLU A 57 28.193 17.343 -57.552 1.00 0.00 H new ATOM 948 N PHE A 58 28.458 13.145 -59.505 1.00 0.00 N ATOM 949 CA PHE A 58 28.807 12.314 -60.652 1.00 0.00 C ATOM 950 C PHE A 58 29.714 13.072 -61.617 1.00 0.00 C ATOM 951 O PHE A 58 30.643 12.503 -62.189 1.00 0.00 O ATOM 952 CB PHE A 58 27.543 11.852 -61.379 1.00 0.00 C ATOM 953 CG PHE A 58 27.364 10.361 -61.383 1.00 0.00 C ATOM 954 CD1 PHE A 58 28.300 9.539 -61.991 1.00 0.00 C ATOM 955 CD2 PHE A 58 26.262 9.780 -60.777 1.00 0.00 C ATOM 956 CE1 PHE A 58 28.138 8.167 -61.997 1.00 0.00 C ATOM 957 CE2 PHE A 58 26.094 8.408 -60.780 1.00 0.00 C ATOM 958 CZ PHE A 58 27.034 7.600 -61.389 1.00 0.00 C ATOM 0 H PHE A 58 27.753 13.856 -59.699 1.00 0.00 H new ATOM 0 HA PHE A 58 29.346 11.440 -60.285 1.00 0.00 H new ATOM 0 HB2 PHE A 58 26.674 12.313 -60.909 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.575 12.209 -62.408 1.00 0.00 H new ATOM 0 HD1 PHE A 58 29.166 9.976 -62.466 1.00 0.00 H new ATOM 0 HD2 PHE A 58 25.525 10.407 -60.296 1.00 0.00 H new ATOM 0 HE1 PHE A 58 28.874 7.538 -62.476 1.00 0.00 H new ATOM 0 HE2 PHE A 58 25.229 7.968 -60.307 1.00 0.00 H new ATOM 0 HZ PHE A 58 26.907 6.528 -61.390 1.00 0.00 H new ATOM 968 N GLU A 59 29.435 14.361 -61.792 1.00 0.00 N ATOM 969 CA GLU A 59 30.225 15.197 -62.689 1.00 0.00 C ATOM 970 C GLU A 59 31.674 15.281 -62.220 1.00 0.00 C ATOM 971 O GLU A 59 32.595 15.388 -63.031 1.00 0.00 O ATOM 972 CB GLU A 59 29.623 16.601 -62.774 1.00 0.00 C ATOM 973 CG GLU A 59 29.342 17.226 -61.418 1.00 0.00 C ATOM 974 CD GLU A 59 29.853 18.651 -61.316 1.00 0.00 C ATOM 975 OE1 GLU A 59 29.564 19.451 -62.230 1.00 0.00 O ATOM 976 OE2 GLU A 59 30.541 18.964 -60.323 1.00 0.00 O ATOM 0 H GLU A 59 28.670 14.848 -61.325 1.00 0.00 H new ATOM 0 HA GLU A 59 30.208 14.741 -63.679 1.00 0.00 H new ATOM 0 HB2 GLU A 59 30.305 17.246 -63.328 1.00 0.00 H new ATOM 0 HB3 GLU A 59 28.694 16.555 -63.343 1.00 0.00 H new ATOM 0 HG2 GLU A 59 28.268 17.215 -61.232 1.00 0.00 H new ATOM 0 HG3 GLU A 59 29.806 16.621 -60.640 1.00 0.00 H new ATOM 983 N CYS A 60 31.868 15.232 -60.907 1.00 0.00 N ATOM 984 CA CYS A 60 33.206 15.303 -60.328 1.00 0.00 C ATOM 985 C CYS A 60 33.474 14.101 -59.429 1.00 0.00 C ATOM 986 O CYS A 60 34.329 13.268 -59.728 1.00 0.00 O ATOM 987 CB CYS A 60 33.371 16.598 -59.532 1.00 0.00 C ATOM 988 SG CYS A 60 33.556 18.077 -60.557 1.00 0.00 S ATOM 0 H CYS A 60 31.117 15.143 -60.223 1.00 0.00 H new ATOM 0 HA CYS A 60 33.929 15.292 -61.143 1.00 0.00 H new ATOM 0 HB2 CYS A 60 32.505 16.725 -58.882 1.00 0.00 H new ATOM 0 HB3 CYS A 60 34.244 16.506 -58.885 1.00 0.00 H new ATOM 0 HG CYS A 60 32.411 18.686 -60.650 1.00 0.00 H new TER 994 CYS A 60