USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.00417 X(o=0.025,f=0.31) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.0204 X(o=0.025,f=0.31) USER MOD Set 2.1: A 55 THR OG1 : rot 124:sc= 0.278 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.305 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0.0517 USER MOD Set 3.2: A 25 ASN : amide:sc= 0.309 K(o=0.36,f=-4.2!) USER MOD Set 4.1: A 6 LYS NZ :NH3+ -148:sc= 1.03 (180deg=-0.813) USER MOD Set 4.2: A 12 THR OG1 : rot -9:sc= 0.976 USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.145) USER MOD Single : A 1 MET N :NH3+ -167:sc= 1.29 (180deg=1.09) USER MOD Single : A 2 GLN : amide:sc= 0.864 K(o=0.86,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 144:sc= 1.22 (180deg=0.548) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 1.16 (180deg=1.11) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.11) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.000184 X(o=-0.00018,f=-0.24) USER MOD Single : A 41 GLN : amide:sc= 0.187 K(o=0.19,f=-0.82) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00348 X(o=-0.0035,f=-0.077) USER MOD Single : A 59 TYR OH : rot 110:sc= 0.401 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 116:sc= 0.987 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.646 -4.734 -4.480 1.00 0.78 N ATOM 2 CA MET A 1 12.262 -4.872 -3.057 1.00 0.70 C ATOM 3 C MET A 1 10.911 -5.425 -2.760 1.00 0.62 C ATOM 4 O MET A 1 9.917 -4.910 -3.269 1.00 0.68 O ATOM 5 CB MET A 1 12.341 -3.460 -2.452 1.00 0.75 C ATOM 6 CG MET A 1 12.201 -3.368 -0.931 1.00 0.79 C ATOM 7 SD MET A 1 12.437 -1.730 -0.175 1.00 1.10 S ATOM 8 CE MET A 1 11.066 -0.699 -0.769 1.00 0.84 C ATOM 0 H1 MET A 1 13.668 -4.552 -4.548 1.00 0.78 H new ATOM 0 H2 MET A 1 12.416 -5.612 -4.988 1.00 0.78 H new ATOM 0 H3 MET A 1 12.124 -3.941 -4.905 1.00 0.78 H new ATOM 0 HA MET A 1 12.947 -5.607 -2.634 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.297 -3.019 -2.735 1.00 0.75 H new ATOM 0 HB3 MET A 1 11.561 -2.849 -2.905 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.207 -3.726 -0.660 1.00 0.79 H new ATOM 0 HG3 MET A 1 12.920 -4.054 -0.483 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.238 0.338 -0.479 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.004 -0.767 -1.855 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.131 -1.048 -0.330 1.00 0.84 H new ATOM 20 N GLN A 2 10.876 -6.333 -1.769 1.00 0.59 N ATOM 21 CA GLN A 2 9.648 -6.993 -1.445 1.00 0.56 C ATOM 22 C GLN A 2 9.010 -6.370 -0.252 1.00 0.50 C ATOM 23 O GLN A 2 9.674 -6.202 0.771 1.00 0.60 O ATOM 24 CB GLN A 2 9.865 -8.493 -1.187 1.00 0.71 C ATOM 25 CG GLN A 2 8.621 -9.374 -1.062 1.00 1.15 C ATOM 26 CD GLN A 2 8.944 -10.846 -0.848 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.438 -11.513 -1.755 1.00 1.87 O ATOM 28 NE2 GLN A 2 8.466 -11.385 0.306 1.00 1.72 N ATOM 0 H GLN A 2 11.679 -6.607 -1.202 1.00 0.59 H new ATOM 0 HA GLN A 2 8.987 -6.882 -2.305 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.478 -8.889 -1.997 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.444 -8.596 -0.269 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.014 -9.018 -0.230 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.018 -9.269 -1.964 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.067 -10.781 1.024 1.00 1.72 H new ATOM 0 HE22 GLN A 2 8.507 -12.393 0.453 1.00 1.72 H new ATOM 37 N ILE A 3 7.750 -5.911 -0.352 1.00 0.44 N ATOM 38 CA ILE A 3 6.969 -5.444 0.751 1.00 0.42 C ATOM 39 C ILE A 3 5.672 -6.173 0.660 1.00 0.40 C ATOM 40 O ILE A 3 5.374 -6.775 -0.371 1.00 0.50 O ATOM 41 CB ILE A 3 6.757 -3.963 0.850 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.011 -3.432 -0.386 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.123 -3.282 1.035 1.00 0.61 C ATOM 44 CD1 ILE A 3 6.118 -1.926 -0.619 1.00 0.72 C ATOM 0 H ILE A 3 7.253 -5.863 -1.242 1.00 0.44 H new ATOM 0 HA ILE A 3 7.525 -5.649 1.666 1.00 0.42 H new ATOM 0 HB ILE A 3 6.130 -3.733 1.712 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.392 -3.947 -1.268 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.957 -3.694 -0.294 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.985 -2.203 1.109 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.593 -3.651 1.947 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.761 -3.509 0.181 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.558 -1.656 -1.514 1.00 0.72 H new ATOM 0 HD12 ILE A 3 5.708 -1.395 0.240 1.00 0.72 H new ATOM 0 HD13 ILE A 3 7.165 -1.651 -0.749 1.00 0.72 H new ATOM 56 N PHE A 4 4.992 -6.242 1.818 1.00 0.37 N ATOM 57 CA PHE A 4 3.778 -6.966 2.039 1.00 0.38 C ATOM 58 C PHE A 4 2.607 -6.060 2.206 1.00 0.39 C ATOM 59 O PHE A 4 2.630 -5.072 2.939 1.00 0.60 O ATOM 60 CB PHE A 4 3.817 -7.843 3.302 1.00 0.45 C ATOM 61 CG PHE A 4 4.957 -8.796 3.190 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.781 -9.866 2.344 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.056 -8.797 4.016 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.779 -10.806 2.250 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.054 -9.741 3.941 1.00 1.40 C ATOM 66 CZ PHE A 4 6.935 -10.729 2.991 1.00 0.85 C ATOM 0 H PHE A 4 5.313 -5.759 2.657 1.00 0.37 H new ATOM 0 HA PHE A 4 3.677 -7.588 1.149 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.931 -7.221 4.190 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.879 -8.388 3.412 1.00 0.45 H new ATOM 0 HD1 PHE A 4 3.875 -9.966 1.764 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.140 -8.019 4.760 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.651 -11.635 1.570 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.904 -9.708 4.607 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.737 -11.434 2.830 1.00 0.85 H new ATOM 76 N VAL A 5 1.495 -6.398 1.528 1.00 0.35 N ATOM 77 CA VAL A 5 0.269 -5.685 1.713 1.00 0.35 C ATOM 78 C VAL A 5 -0.713 -6.582 2.385 1.00 0.35 C ATOM 79 O VAL A 5 -1.148 -7.597 1.845 1.00 0.46 O ATOM 80 CB VAL A 5 -0.279 -5.261 0.383 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.543 -4.396 0.518 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.790 -4.397 -0.309 1.00 0.56 C ATOM 0 H VAL A 5 1.445 -7.162 0.854 1.00 0.35 H new ATOM 0 HA VAL A 5 0.450 -4.801 2.324 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.533 -6.160 -0.178 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.900 -4.116 -0.473 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.318 -4.962 1.036 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.309 -3.496 1.087 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.421 -4.072 -1.282 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.007 -3.524 0.307 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.700 -4.982 -0.443 1.00 0.56 H new ATOM 92 N LYS A 6 -1.139 -6.269 3.622 1.00 0.36 N ATOM 93 CA LYS A 6 -2.127 -7.045 4.306 1.00 0.39 C ATOM 94 C LYS A 6 -3.445 -6.382 4.094 1.00 0.46 C ATOM 95 O LYS A 6 -3.522 -5.175 3.871 1.00 0.53 O ATOM 96 CB LYS A 6 -1.766 -7.287 5.781 1.00 0.54 C ATOM 97 CG LYS A 6 -0.844 -8.472 6.073 1.00 1.22 C ATOM 98 CD LYS A 6 -0.772 -8.709 7.583 1.00 1.37 C ATOM 99 CE LYS A 6 -0.026 -10.014 7.871 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.800 -11.144 7.310 1.00 2.09 N ATOM 0 H LYS A 6 -0.795 -5.469 4.153 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.177 -8.053 3.894 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.294 -6.384 6.169 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.691 -7.429 6.340 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.215 -9.366 5.572 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.153 -8.276 5.678 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.264 -7.875 8.067 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.778 -8.755 8.001 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.970 -9.984 7.430 1.00 1.93 H new ATOM 0 HE3 LYS A 6 0.105 -10.144 8.945 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -0.660 -11.988 7.901 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.810 -10.898 7.291 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.474 -11.342 6.342 1.00 2.09 H new ATOM 114 N THR A 7 -4.526 -7.182 4.080 1.00 0.58 N ATOM 115 CA THR A 7 -5.844 -6.642 3.959 1.00 0.78 C ATOM 116 C THR A 7 -6.525 -6.826 5.272 1.00 0.94 C ATOM 117 O THR A 7 -5.794 -6.901 6.259 1.00 0.99 O ATOM 118 CB THR A 7 -6.667 -7.111 2.797 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.905 -8.510 2.861 1.00 0.90 O ATOM 120 CG2 THR A 7 -6.003 -6.848 1.435 1.00 0.92 C ATOM 0 H THR A 7 -4.488 -8.199 4.152 1.00 0.58 H new ATOM 0 HA THR A 7 -5.735 -5.586 3.712 1.00 0.78 H new ATOM 0 HB THR A 7 -7.593 -6.541 2.872 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.445 -8.785 2.091 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.651 -7.212 0.638 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.840 -5.777 1.310 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.046 -7.368 1.390 1.00 0.92 H new ATOM 128 N LEU A 8 -7.853 -7.010 5.385 1.00 1.17 N ATOM 129 CA LEU A 8 -8.583 -7.444 6.537 1.00 1.39 C ATOM 130 C LEU A 8 -8.742 -8.924 6.539 1.00 1.44 C ATOM 131 O LEU A 8 -8.231 -9.570 7.453 1.00 1.60 O ATOM 132 CB LEU A 8 -9.918 -6.687 6.626 1.00 1.66 C ATOM 133 CG LEU A 8 -10.766 -6.807 7.904 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.083 -6.177 9.129 1.00 2.53 C ATOM 135 CD2 LEU A 8 -12.132 -6.166 7.601 1.00 2.43 C ATOM 0 H LEU A 8 -8.473 -6.838 4.593 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.020 -7.204 7.439 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.706 -5.629 6.471 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.537 -7.014 5.790 1.00 1.66 H new ATOM 0 HG LEU A 8 -10.891 -7.856 8.172 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.725 -6.290 10.002 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -9.131 -6.676 9.312 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -9.907 -5.117 8.943 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -12.768 -6.230 8.484 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -11.991 -5.120 7.330 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.606 -6.694 6.774 1.00 2.43 H new ATOM 147 N THR A 9 -9.352 -9.528 5.502 1.00 1.41 N ATOM 148 CA THR A 9 -9.564 -10.933 5.339 1.00 1.51 C ATOM 149 C THR A 9 -9.108 -11.565 4.070 1.00 1.37 C ATOM 150 O THR A 9 -9.309 -10.874 3.072 1.00 1.62 O ATOM 151 CB THR A 9 -10.987 -11.365 5.536 1.00 1.65 C ATOM 152 OG1 THR A 9 -11.841 -10.765 4.574 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.555 -11.095 6.939 1.00 2.08 C ATOM 0 H THR A 9 -9.725 -8.991 4.719 1.00 1.41 H new ATOM 0 HA THR A 9 -8.913 -11.288 6.138 1.00 1.51 H new ATOM 0 HB THR A 9 -10.960 -12.447 5.410 1.00 1.65 H new ATOM 0 HG1 THR A 9 -12.762 -11.064 4.723 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.588 -11.441 6.986 1.00 2.08 H new ATOM 0 HG22 THR A 9 -10.960 -11.627 7.681 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.521 -10.025 7.146 1.00 2.08 H new ATOM 161 N GLY A 10 -8.415 -12.716 4.018 1.00 1.18 N ATOM 162 CA GLY A 10 -8.042 -13.452 2.849 1.00 1.22 C ATOM 163 C GLY A 10 -6.568 -13.610 2.999 1.00 0.99 C ATOM 164 O GLY A 10 -6.104 -14.457 3.761 1.00 1.31 O ATOM 0 H GLY A 10 -8.087 -13.171 4.870 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -8.547 -14.417 2.803 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -8.298 -12.914 1.936 1.00 1.22 H new ATOM 168 N LYS A 11 -5.818 -13.023 2.050 1.00 0.73 N ATOM 169 CA LYS A 11 -4.413 -13.281 1.972 1.00 0.60 C ATOM 170 C LYS A 11 -3.677 -11.998 2.149 1.00 0.51 C ATOM 171 O LYS A 11 -4.261 -10.932 1.956 1.00 0.63 O ATOM 172 CB LYS A 11 -4.035 -13.956 0.643 1.00 0.75 C ATOM 173 CG LYS A 11 -4.617 -13.180 -0.540 1.00 0.87 C ATOM 174 CD LYS A 11 -3.591 -13.103 -1.672 1.00 1.04 C ATOM 175 CE LYS A 11 -3.819 -12.101 -2.805 1.00 1.30 C ATOM 176 NZ LYS A 11 -4.942 -12.397 -3.723 1.00 1.40 N ATOM 0 H LYS A 11 -6.177 -12.379 1.346 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.135 -13.974 2.766 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -2.950 -14.009 0.552 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.406 -14.981 0.631 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -5.525 -13.668 -0.894 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.898 -12.175 -0.224 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -2.622 -12.881 -1.225 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -3.517 -14.095 -2.118 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.986 -11.118 -2.365 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -2.904 -12.035 -3.393 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.397 -11.508 -4.013 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -4.582 -12.892 -4.564 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.637 -13.000 -3.238 1.00 1.40 H new ATOM 190 N THR A 12 -2.367 -12.141 2.420 1.00 0.49 N ATOM 191 CA THR A 12 -1.380 -11.106 2.420 1.00 0.48 C ATOM 192 C THR A 12 -0.803 -10.964 1.054 1.00 0.52 C ATOM 193 O THR A 12 -0.323 -11.976 0.547 1.00 0.72 O ATOM 194 CB THR A 12 -0.212 -11.424 3.306 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.678 -11.576 4.639 1.00 0.77 O ATOM 196 CG2 THR A 12 0.916 -10.378 3.346 1.00 0.78 C ATOM 0 H THR A 12 -1.969 -13.050 2.657 1.00 0.49 H new ATOM 0 HA THR A 12 -1.889 -10.207 2.769 1.00 0.48 H new ATOM 0 HB THR A 12 0.219 -12.328 2.875 1.00 0.64 H new ATOM 0 HG1 THR A 12 -1.616 -11.297 4.691 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.703 -10.718 4.019 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.326 -10.247 2.345 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.519 -9.428 3.703 1.00 0.78 H new ATOM 204 N ILE A 13 -0.878 -9.813 0.362 1.00 0.48 N ATOM 205 CA ILE A 13 -0.340 -9.650 -0.954 1.00 0.55 C ATOM 206 C ILE A 13 1.129 -9.414 -1.008 1.00 0.51 C ATOM 207 O ILE A 13 1.646 -8.527 -0.330 1.00 0.56 O ATOM 208 CB ILE A 13 -0.878 -8.486 -1.731 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.408 -8.452 -1.571 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.567 -8.667 -3.227 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.047 -7.145 -2.038 1.00 1.55 C ATOM 0 H ILE A 13 -1.325 -8.972 0.727 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.634 -10.609 -1.381 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.421 -7.568 -1.362 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.841 -9.279 -2.133 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.658 -8.614 -0.523 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.961 -7.818 -3.786 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.512 -8.727 -3.370 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.032 -9.585 -3.587 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.126 -7.196 -1.894 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.643 -6.315 -1.459 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.829 -6.990 -3.095 1.00 1.55 H new ATOM 223 N THR A 14 1.907 -10.250 -1.720 1.00 0.55 N ATOM 224 CA THR A 14 3.317 -10.109 -1.911 1.00 0.54 C ATOM 225 C THR A 14 3.589 -9.083 -2.958 1.00 0.55 C ATOM 226 O THR A 14 3.341 -9.336 -4.135 1.00 0.72 O ATOM 227 CB THR A 14 4.083 -11.311 -2.376 1.00 0.67 C ATOM 228 OG1 THR A 14 3.902 -12.434 -1.527 1.00 1.08 O ATOM 229 CG2 THR A 14 5.586 -10.987 -2.420 1.00 1.03 C ATOM 0 H THR A 14 1.528 -11.072 -2.190 1.00 0.55 H new ATOM 0 HA THR A 14 3.653 -9.866 -0.903 1.00 0.54 H new ATOM 0 HB THR A 14 3.702 -11.560 -3.366 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.419 -13.192 -1.872 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.138 -11.864 -2.759 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.760 -10.161 -3.109 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.927 -10.706 -1.423 1.00 1.03 H new ATOM 237 N LEU A 15 3.954 -7.853 -2.554 1.00 0.50 N ATOM 238 CA LEU A 15 4.194 -6.814 -3.507 1.00 0.55 C ATOM 239 C LEU A 15 5.640 -6.545 -3.749 1.00 0.52 C ATOM 240 O LEU A 15 6.327 -6.104 -2.830 1.00 0.58 O ATOM 241 CB LEU A 15 3.528 -5.516 -3.022 1.00 0.69 C ATOM 242 CG LEU A 15 3.178 -4.591 -4.200 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.903 -5.015 -4.949 1.00 1.38 C ATOM 244 CD2 LEU A 15 3.102 -3.090 -3.871 1.00 1.55 C ATOM 0 H LEU A 15 4.082 -7.580 -1.580 1.00 0.50 H new ATOM 0 HA LEU A 15 3.769 -7.157 -4.450 1.00 0.55 H new ATOM 0 HB2 LEU A 15 2.623 -5.756 -2.464 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.197 -4.997 -2.336 1.00 0.69 H new ATOM 0 HG LEU A 15 4.041 -4.722 -4.853 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.714 -4.320 -5.767 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.033 -6.020 -5.349 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.057 -5.005 -4.262 1.00 1.38 H new ATOM 0 HD21 LEU A 15 2.849 -2.532 -4.773 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.336 -2.922 -3.113 1.00 1.55 H new ATOM 0 HD23 LEU A 15 4.067 -2.751 -3.493 1.00 1.55 H new ATOM 256 N GLU A 16 6.037 -6.734 -5.020 1.00 0.59 N ATOM 257 CA GLU A 16 7.316 -6.301 -5.491 1.00 0.63 C ATOM 258 C GLU A 16 7.289 -4.928 -6.068 1.00 0.65 C ATOM 259 O GLU A 16 6.491 -4.526 -6.913 1.00 0.81 O ATOM 260 CB GLU A 16 7.974 -7.191 -6.558 1.00 0.76 C ATOM 261 CG GLU A 16 8.127 -8.670 -6.197 1.00 1.41 C ATOM 262 CD GLU A 16 8.650 -9.219 -7.517 1.00 1.52 C ATOM 263 OE1 GLU A 16 8.054 -8.951 -8.594 1.00 1.92 O ATOM 264 OE2 GLU A 16 9.730 -9.863 -7.430 1.00 1.95 O ATOM 0 H GLU A 16 5.464 -7.192 -5.729 1.00 0.59 H new ATOM 0 HA GLU A 16 7.906 -6.350 -4.576 1.00 0.63 H new ATOM 0 HB2 GLU A 16 7.387 -7.120 -7.474 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.962 -6.788 -6.780 1.00 0.76 H new ATOM 0 HG2 GLU A 16 8.826 -8.827 -5.376 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.182 -9.126 -5.903 1.00 1.41 H new ATOM 271 N VAL A 17 8.186 -4.076 -5.539 1.00 0.61 N ATOM 272 CA VAL A 17 8.402 -2.676 -5.738 1.00 0.63 C ATOM 273 C VAL A 17 9.857 -2.355 -5.716 1.00 0.65 C ATOM 274 O VAL A 17 10.662 -3.220 -5.374 1.00 0.76 O ATOM 275 CB VAL A 17 7.858 -1.805 -4.645 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.325 -1.911 -4.706 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.385 -2.145 -3.240 1.00 0.92 C ATOM 0 H VAL A 17 8.864 -4.434 -4.866 1.00 0.61 H new ATOM 0 HA VAL A 17 7.904 -2.480 -6.688 1.00 0.63 H new ATOM 0 HB VAL A 17 8.200 -0.784 -4.815 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.886 -1.290 -3.925 1.00 0.96 H new ATOM 0 HG12 VAL A 17 5.975 -1.570 -5.680 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.026 -2.948 -4.556 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.941 -1.467 -2.511 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.119 -3.172 -2.990 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.469 -2.037 -3.222 1.00 0.92 H new ATOM 287 N GLU A 18 10.237 -1.112 -6.062 1.00 0.68 N ATOM 288 CA GLU A 18 11.502 -0.471 -5.880 1.00 0.74 C ATOM 289 C GLU A 18 11.282 0.648 -4.921 1.00 0.71 C ATOM 290 O GLU A 18 10.202 1.006 -4.455 1.00 0.74 O ATOM 291 CB GLU A 18 11.965 0.011 -7.265 1.00 0.88 C ATOM 292 CG GLU A 18 12.019 -1.167 -8.241 1.00 1.16 C ATOM 293 CD GLU A 18 12.301 -0.574 -9.615 1.00 1.71 C ATOM 294 OE1 GLU A 18 13.353 0.100 -9.773 1.00 2.33 O ATOM 295 OE2 GLU A 18 11.366 -0.586 -10.459 1.00 2.35 O ATOM 0 H GLU A 18 9.577 -0.486 -6.523 1.00 0.68 H new ATOM 0 HA GLU A 18 12.275 -1.123 -5.474 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.282 0.773 -7.640 1.00 0.88 H new ATOM 0 HB3 GLU A 18 12.949 0.474 -7.187 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.799 -1.873 -7.955 1.00 1.16 H new ATOM 0 HG3 GLU A 18 11.077 -1.715 -8.240 1.00 1.16 H new ATOM 302 N PRO A 19 12.358 1.213 -4.461 1.00 0.74 N ATOM 303 CA PRO A 19 12.154 2.247 -3.489 1.00 0.74 C ATOM 304 C PRO A 19 11.624 3.575 -3.910 1.00 0.70 C ATOM 305 O PRO A 19 11.042 4.371 -3.176 1.00 0.74 O ATOM 306 CB PRO A 19 13.553 2.497 -2.930 1.00 0.86 C ATOM 307 CG PRO A 19 14.288 1.154 -3.059 1.00 0.95 C ATOM 308 CD PRO A 19 13.634 0.531 -4.303 1.00 0.82 C ATOM 0 HA PRO A 19 11.371 1.876 -2.827 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.065 3.281 -3.488 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.509 2.823 -1.891 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.361 1.291 -3.191 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.152 0.531 -2.175 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.262 0.666 -5.184 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.491 -0.542 -4.174 1.00 0.82 H new ATOM 316 N SER A 20 11.757 3.775 -5.234 1.00 0.70 N ATOM 317 CA SER A 20 11.249 4.898 -5.960 1.00 0.74 C ATOM 318 C SER A 20 9.829 4.807 -6.402 1.00 0.71 C ATOM 319 O SER A 20 9.339 5.615 -7.190 1.00 0.80 O ATOM 320 CB SER A 20 12.162 5.165 -7.169 1.00 0.89 C ATOM 321 OG SER A 20 13.493 5.522 -6.824 1.00 1.45 O ATOM 0 H SER A 20 12.249 3.112 -5.833 1.00 0.70 H new ATOM 0 HA SER A 20 11.254 5.726 -5.252 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.187 4.273 -7.795 1.00 0.89 H new ATOM 0 HB3 SER A 20 11.727 5.964 -7.769 1.00 0.89 H new ATOM 0 HG SER A 20 14.013 5.674 -7.641 1.00 1.45 H new ATOM 327 N ASP A 21 9.020 3.826 -5.961 1.00 0.70 N ATOM 328 CA ASP A 21 7.635 3.706 -6.301 1.00 0.73 C ATOM 329 C ASP A 21 6.906 4.633 -5.389 1.00 0.64 C ATOM 330 O ASP A 21 7.112 4.691 -4.178 1.00 0.66 O ATOM 331 CB ASP A 21 7.014 2.302 -6.222 1.00 0.87 C ATOM 332 CG ASP A 21 7.492 1.460 -7.397 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.637 0.933 -7.413 1.00 1.69 O ATOM 334 OD2 ASP A 21 6.667 1.504 -8.348 1.00 1.50 O ATOM 0 H ASP A 21 9.345 3.084 -5.341 1.00 0.70 H new ATOM 0 HA ASP A 21 7.547 3.950 -7.360 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.292 1.824 -5.283 1.00 0.87 H new ATOM 0 HB3 ASP A 21 5.926 2.374 -6.233 1.00 0.87 H new ATOM 339 N THR A 22 6.039 5.453 -6.009 1.00 0.63 N ATOM 340 CA THR A 22 5.120 6.278 -5.288 1.00 0.58 C ATOM 341 C THR A 22 4.074 5.405 -4.685 1.00 0.53 C ATOM 342 O THR A 22 3.808 4.266 -5.065 1.00 0.58 O ATOM 343 CB THR A 22 4.443 7.370 -6.061 1.00 0.63 C ATOM 344 OG1 THR A 22 3.863 6.914 -7.275 1.00 0.70 O ATOM 345 CG2 THR A 22 5.508 8.418 -6.429 1.00 0.75 C ATOM 0 H THR A 22 5.975 5.545 -7.023 1.00 0.63 H new ATOM 0 HA THR A 22 5.732 6.799 -4.551 1.00 0.58 H new ATOM 0 HB THR A 22 3.646 7.769 -5.434 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.435 7.666 -7.736 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.043 9.226 -6.993 1.00 0.75 H new ATOM 0 HG22 THR A 22 5.953 8.820 -5.519 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.284 7.951 -7.036 1.00 0.75 H new ATOM 353 N ILE A 23 3.370 6.012 -3.712 1.00 0.51 N ATOM 354 CA ILE A 23 2.259 5.417 -3.037 1.00 0.48 C ATOM 355 C ILE A 23 1.196 5.278 -4.072 1.00 0.48 C ATOM 356 O ILE A 23 0.534 4.248 -3.963 1.00 0.51 O ATOM 357 CB ILE A 23 1.817 6.240 -1.862 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.975 6.476 -0.880 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.543 5.681 -1.205 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.563 5.175 -0.334 1.00 0.73 C ATOM 0 H ILE A 23 3.583 6.954 -3.383 1.00 0.51 H new ATOM 0 HA ILE A 23 2.516 4.448 -2.610 1.00 0.48 H new ATOM 0 HB ILE A 23 1.531 7.225 -2.230 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.760 7.042 -1.381 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.622 7.087 -0.049 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.263 6.310 -0.360 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.268 5.670 -1.934 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.730 4.666 -0.855 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.377 5.404 0.354 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.788 4.618 0.193 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.944 4.573 -1.159 1.00 0.73 H new ATOM 372 N GLU A 24 1.027 6.165 -5.069 1.00 0.50 N ATOM 373 CA GLU A 24 0.139 5.993 -6.176 1.00 0.53 C ATOM 374 C GLU A 24 0.413 4.828 -7.065 1.00 0.50 C ATOM 375 O GLU A 24 -0.514 4.148 -7.501 1.00 0.55 O ATOM 376 CB GLU A 24 0.175 7.313 -6.963 1.00 0.64 C ATOM 377 CG GLU A 24 -0.945 7.390 -8.002 1.00 0.95 C ATOM 378 CD GLU A 24 -1.134 8.797 -8.551 1.00 1.05 C ATOM 379 OE1 GLU A 24 -0.798 9.785 -7.843 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.671 8.887 -9.687 1.00 1.56 O ATOM 0 H GLU A 24 1.537 7.048 -5.104 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.848 5.758 -5.778 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.086 8.150 -6.271 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.139 7.412 -7.461 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.721 6.710 -8.824 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.878 7.051 -7.552 1.00 0.95 H new ATOM 387 N ASN A 25 1.716 4.607 -7.309 1.00 0.51 N ATOM 388 CA ASN A 25 2.195 3.513 -8.096 1.00 0.52 C ATOM 389 C ASN A 25 2.009 2.199 -7.418 1.00 0.47 C ATOM 390 O ASN A 25 1.679 1.180 -8.023 1.00 0.53 O ATOM 391 CB ASN A 25 3.719 3.524 -8.304 1.00 0.64 C ATOM 392 CG ASN A 25 4.278 4.608 -9.214 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.336 5.179 -8.954 1.00 2.13 O ATOM 394 ND2 ASN A 25 3.752 4.854 -10.443 1.00 1.57 N ATOM 0 H ASN A 25 2.459 5.206 -6.949 1.00 0.51 H new ATOM 0 HA ASN A 25 1.630 3.630 -9.021 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.195 3.621 -7.328 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.014 2.556 -8.708 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.233 5.481 -11.087 1.00 1.57 H new ATOM 0 HD22 ASN A 25 2.876 4.411 -10.721 1.00 1.57 H new ATOM 401 N VAL A 26 2.271 2.164 -6.099 1.00 0.45 N ATOM 402 CA VAL A 26 1.949 1.054 -5.258 1.00 0.44 C ATOM 403 C VAL A 26 0.542 0.585 -5.403 1.00 0.40 C ATOM 404 O VAL A 26 0.267 -0.575 -5.710 1.00 0.44 O ATOM 405 CB VAL A 26 2.295 1.400 -3.841 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.802 0.369 -2.811 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.827 1.270 -3.776 1.00 0.62 C ATOM 0 H VAL A 26 2.721 2.933 -5.602 1.00 0.45 H new ATOM 0 HA VAL A 26 2.549 0.202 -5.577 1.00 0.44 H new ATOM 0 HB VAL A 26 1.857 2.371 -3.611 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.090 0.689 -1.810 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.716 0.288 -2.868 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.250 -0.602 -3.025 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.170 1.507 -2.769 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.117 0.250 -4.028 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.281 1.961 -4.486 1.00 0.62 H new ATOM 417 N LYS A 27 -0.429 1.511 -5.325 1.00 0.40 N ATOM 418 CA LYS A 27 -1.806 1.280 -5.634 1.00 0.41 C ATOM 419 C LYS A 27 -2.037 0.811 -7.029 1.00 0.38 C ATOM 420 O LYS A 27 -2.770 -0.140 -7.294 1.00 0.42 O ATOM 421 CB LYS A 27 -2.718 2.486 -5.351 1.00 0.51 C ATOM 422 CG LYS A 27 -2.686 3.085 -3.943 1.00 0.76 C ATOM 423 CD LYS A 27 -3.571 4.307 -3.691 1.00 0.82 C ATOM 424 CE LYS A 27 -3.210 4.892 -2.324 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.944 6.172 -2.203 1.00 1.11 N ATOM 0 H LYS A 27 -0.244 2.470 -5.031 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.080 0.476 -4.951 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.460 3.275 -6.057 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.744 2.189 -5.566 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.973 2.306 -3.236 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.656 3.359 -3.714 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.421 5.051 -4.473 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.623 4.025 -3.717 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.491 4.208 -1.524 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.135 5.053 -2.243 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.012 6.440 -1.200 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.436 6.914 -2.726 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.900 6.063 -2.598 1.00 1.11 H new ATOM 439 N ALA A 28 -1.273 1.329 -8.008 1.00 0.39 N ATOM 440 CA ALA A 28 -1.378 0.949 -9.383 1.00 0.39 C ATOM 441 C ALA A 28 -0.947 -0.470 -9.526 1.00 0.36 C ATOM 442 O ALA A 28 -1.481 -1.209 -10.351 1.00 0.42 O ATOM 443 CB ALA A 28 -0.636 1.869 -10.366 1.00 0.51 C ATOM 0 H ALA A 28 -0.558 2.036 -7.837 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.426 1.058 -9.663 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.773 1.501 -11.383 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.035 2.881 -10.289 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.427 1.879 -10.124 1.00 0.51 H new ATOM 449 N LYS A 29 0.084 -0.925 -8.791 1.00 0.39 N ATOM 450 CA LYS A 29 0.655 -2.235 -8.753 1.00 0.43 C ATOM 451 C LYS A 29 -0.249 -3.241 -8.130 1.00 0.44 C ATOM 452 O LYS A 29 -0.378 -4.389 -8.552 1.00 0.54 O ATOM 453 CB LYS A 29 2.030 -2.092 -8.078 1.00 0.54 C ATOM 454 CG LYS A 29 3.159 -1.803 -9.070 1.00 0.65 C ATOM 455 CD LYS A 29 4.512 -1.811 -8.357 1.00 1.08 C ATOM 456 CE LYS A 29 5.606 -1.788 -9.426 1.00 1.24 C ATOM 457 NZ LYS A 29 5.796 -0.434 -9.993 1.00 1.44 N ATOM 0 H LYS A 29 0.571 -0.298 -8.150 1.00 0.39 H new ATOM 0 HA LYS A 29 0.791 -2.638 -9.756 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.985 -1.288 -7.343 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.258 -3.009 -7.534 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.155 -2.551 -9.863 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.996 -0.835 -9.544 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.602 -0.946 -7.700 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.608 -2.698 -7.731 1.00 1.08 H new ATOM 0 HE2 LYS A 29 6.544 -2.135 -8.993 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.347 -2.483 -10.225 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.651 -0.422 -10.585 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 4.970 -0.181 -10.573 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.900 0.254 -9.220 1.00 1.44 H new ATOM 471 N ILE A 30 -0.993 -2.884 -7.068 1.00 0.41 N ATOM 472 CA ILE A 30 -2.030 -3.680 -6.487 1.00 0.44 C ATOM 473 C ILE A 30 -3.202 -3.779 -7.402 1.00 0.45 C ATOM 474 O ILE A 30 -3.796 -4.848 -7.541 1.00 0.56 O ATOM 475 CB ILE A 30 -2.403 -3.097 -5.157 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.216 -3.125 -4.179 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.655 -3.796 -4.600 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.468 -2.285 -2.928 1.00 1.32 C ATOM 0 H ILE A 30 -0.864 -1.993 -6.589 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.671 -4.697 -6.333 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.655 -2.045 -5.292 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.015 -4.156 -3.886 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.323 -2.758 -4.686 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -3.914 -3.363 -3.634 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.486 -3.661 -5.293 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.454 -4.860 -4.478 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.599 -2.340 -2.272 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.641 -1.248 -3.215 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.344 -2.667 -2.403 1.00 1.32 H new ATOM 490 N GLN A 31 -3.391 -2.739 -8.233 1.00 0.41 N ATOM 491 CA GLN A 31 -4.348 -2.687 -9.295 1.00 0.48 C ATOM 492 C GLN A 31 -4.007 -3.670 -10.362 1.00 0.52 C ATOM 493 O GLN A 31 -4.903 -4.375 -10.826 1.00 0.66 O ATOM 494 CB GLN A 31 -4.573 -1.319 -9.958 1.00 0.52 C ATOM 495 CG GLN A 31 -5.749 -1.131 -10.919 1.00 0.70 C ATOM 496 CD GLN A 31 -5.782 0.105 -11.805 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.872 0.933 -11.792 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.905 0.274 -12.554 1.00 1.43 N ATOM 0 H GLN A 31 -2.842 -1.882 -8.159 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.284 -2.929 -8.791 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.682 -0.584 -9.161 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.663 -1.066 -10.502 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.786 -2.005 -11.570 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.664 -1.136 -10.326 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.639 -0.434 -12.540 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.013 1.109 -13.130 1.00 1.43 H new ATOM 507 N ASP A 32 -2.742 -3.736 -10.814 1.00 0.50 N ATOM 508 CA ASP A 32 -2.319 -4.752 -11.728 1.00 0.60 C ATOM 509 C ASP A 32 -2.381 -6.138 -11.184 1.00 0.65 C ATOM 510 O ASP A 32 -2.624 -7.110 -11.896 1.00 0.81 O ATOM 511 CB ASP A 32 -0.898 -4.550 -12.280 1.00 0.67 C ATOM 512 CG ASP A 32 -0.825 -3.531 -13.409 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.844 -3.221 -14.081 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.265 -2.912 -13.536 1.00 1.51 O ATOM 0 H ASP A 32 -2.008 -3.081 -10.545 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.049 -4.642 -12.530 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.244 -4.230 -11.469 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.517 -5.506 -12.639 1.00 0.67 H new ATOM 519 N LYS A 33 -2.230 -6.319 -9.859 1.00 0.62 N ATOM 520 CA LYS A 33 -2.142 -7.597 -9.224 1.00 0.73 C ATOM 521 C LYS A 33 -3.447 -8.202 -8.837 1.00 0.69 C ATOM 522 O LYS A 33 -3.718 -9.375 -9.087 1.00 0.83 O ATOM 523 CB LYS A 33 -1.196 -7.571 -8.011 1.00 0.85 C ATOM 524 CG LYS A 33 -0.835 -8.882 -7.311 1.00 1.31 C ATOM 525 CD LYS A 33 -0.193 -10.016 -8.114 1.00 1.71 C ATOM 526 CE LYS A 33 1.143 -9.595 -8.730 1.00 2.26 C ATOM 527 NZ LYS A 33 1.508 -10.698 -9.646 1.00 2.62 N ATOM 0 H LYS A 33 -2.167 -5.541 -9.203 1.00 0.62 H new ATOM 0 HA LYS A 33 -1.728 -8.244 -9.998 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.265 -7.105 -8.333 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -1.640 -6.913 -7.264 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.158 -8.639 -6.492 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.748 -9.275 -6.864 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.038 -10.878 -7.465 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.874 -10.331 -8.905 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.050 -8.651 -9.267 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.904 -9.452 -7.962 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.415 -10.481 -10.106 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.597 -11.583 -9.106 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.769 -10.807 -10.370 1.00 2.62 H new ATOM 541 N GLU A 34 -4.315 -7.395 -8.200 1.00 0.63 N ATOM 542 CA GLU A 34 -5.581 -7.781 -7.658 1.00 0.67 C ATOM 543 C GLU A 34 -6.769 -7.180 -8.327 1.00 0.69 C ATOM 544 O GLU A 34 -7.820 -7.799 -8.484 1.00 0.95 O ATOM 545 CB GLU A 34 -5.615 -7.386 -6.171 1.00 0.73 C ATOM 546 CG GLU A 34 -4.461 -8.008 -5.382 1.00 0.83 C ATOM 547 CD GLU A 34 -4.508 -9.526 -5.280 1.00 0.95 C ATOM 548 OE1 GLU A 34 -5.569 -10.060 -4.862 1.00 1.48 O ATOM 549 OE2 GLU A 34 -3.512 -10.217 -5.624 1.00 1.37 O ATOM 0 H GLU A 34 -4.117 -6.405 -8.054 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.657 -8.857 -7.818 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.569 -6.300 -6.084 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.563 -7.701 -5.735 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.520 -7.717 -5.850 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.459 -7.589 -4.376 1.00 0.83 H new ATOM 556 N GLY A 35 -6.627 -5.969 -8.895 1.00 0.63 N ATOM 557 CA GLY A 35 -7.631 -5.297 -9.660 1.00 0.68 C ATOM 558 C GLY A 35 -8.333 -4.141 -9.037 1.00 0.76 C ATOM 559 O GLY A 35 -9.209 -3.553 -9.671 1.00 1.12 O ATOM 0 H GLY A 35 -5.765 -5.430 -8.816 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.168 -4.948 -10.583 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.385 -6.033 -9.940 1.00 0.68 H new ATOM 563 N ILE A 36 -7.949 -3.717 -7.820 1.00 0.70 N ATOM 564 CA ILE A 36 -8.693 -2.695 -7.151 1.00 0.76 C ATOM 565 C ILE A 36 -8.243 -1.342 -7.587 1.00 0.71 C ATOM 566 O ILE A 36 -7.053 -1.039 -7.656 1.00 0.73 O ATOM 567 CB ILE A 36 -8.405 -2.850 -5.687 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.626 -4.310 -5.259 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.069 -1.754 -4.837 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.291 -4.598 -3.796 1.00 1.16 C ATOM 0 H ILE A 36 -7.142 -4.072 -7.308 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.755 -2.789 -7.377 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.349 -2.666 -5.488 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.668 -4.575 -5.439 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.019 -4.957 -5.892 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.829 -1.913 -3.786 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.700 -0.777 -5.150 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.150 -1.794 -4.972 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.476 -5.650 -3.581 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.242 -4.369 -3.611 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.916 -3.980 -3.151 1.00 1.16 H new ATOM 582 N PRO A 37 -9.095 -0.422 -7.929 1.00 0.75 N ATOM 583 CA PRO A 37 -8.711 0.890 -8.360 1.00 0.79 C ATOM 584 C PRO A 37 -7.956 1.722 -7.382 1.00 0.75 C ATOM 585 O PRO A 37 -8.353 1.649 -6.220 1.00 0.75 O ATOM 586 CB PRO A 37 -9.982 1.629 -8.774 1.00 0.95 C ATOM 587 CG PRO A 37 -10.878 0.508 -9.325 1.00 1.02 C ATOM 588 CD PRO A 37 -10.456 -0.639 -8.394 1.00 0.85 C ATOM 0 HA PRO A 37 -8.005 0.739 -9.177 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.446 2.136 -7.928 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.778 2.389 -9.528 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.939 0.743 -9.245 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.678 0.290 -10.374 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.135 -0.698 -7.544 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.522 -1.591 -8.921 1.00 0.85 H new ATOM 596 N PRO A 38 -7.008 2.535 -7.744 1.00 0.81 N ATOM 597 CA PRO A 38 -6.249 3.324 -6.818 1.00 0.85 C ATOM 598 C PRO A 38 -7.070 4.259 -5.998 1.00 0.89 C ATOM 599 O PRO A 38 -6.849 4.426 -4.800 1.00 0.99 O ATOM 600 CB PRO A 38 -5.140 4.046 -7.581 1.00 1.01 C ATOM 601 CG PRO A 38 -4.928 3.089 -8.766 1.00 1.25 C ATOM 602 CD PRO A 38 -6.213 2.262 -8.932 1.00 0.98 C ATOM 0 HA PRO A 38 -5.812 2.646 -6.085 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.443 5.042 -7.904 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.238 4.166 -6.981 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.713 3.649 -9.676 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.074 2.437 -8.583 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.749 2.548 -9.837 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.987 1.199 -9.017 1.00 0.98 H new ATOM 610 N ASP A 39 -8.174 4.783 -6.562 1.00 0.96 N ATOM 611 CA ASP A 39 -9.121 5.546 -5.811 1.00 1.11 C ATOM 612 C ASP A 39 -9.862 4.884 -4.702 1.00 1.00 C ATOM 613 O ASP A 39 -10.487 5.604 -3.924 1.00 1.14 O ATOM 614 CB ASP A 39 -10.144 6.083 -6.827 1.00 1.39 C ATOM 615 CG ASP A 39 -9.477 7.081 -7.762 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.601 7.827 -7.250 1.00 2.23 O ATOM 617 OD2 ASP A 39 -9.853 7.123 -8.964 1.00 2.25 O ATOM 0 H ASP A 39 -8.411 4.676 -7.548 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.527 6.294 -5.287 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.564 5.258 -7.403 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.972 6.561 -6.303 1.00 1.39 H new ATOM 622 N GLN A 40 -9.909 3.540 -4.665 1.00 0.87 N ATOM 623 CA GLN A 40 -10.660 2.865 -3.652 1.00 0.84 C ATOM 624 C GLN A 40 -9.729 2.600 -2.520 1.00 0.67 C ATOM 625 O GLN A 40 -10.248 2.397 -1.424 1.00 0.80 O ATOM 626 CB GLN A 40 -11.293 1.566 -4.178 1.00 0.95 C ATOM 627 CG GLN A 40 -12.550 1.822 -5.013 1.00 1.32 C ATOM 628 CD GLN A 40 -13.074 0.688 -5.882 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.882 -0.510 -5.684 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.694 1.076 -7.028 1.00 2.02 N ATOM 0 H GLN A 40 -9.434 2.927 -5.327 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.493 3.486 -3.324 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.562 1.029 -4.783 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.545 0.922 -3.336 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.348 2.117 -4.332 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.352 2.675 -5.661 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.861 2.066 -7.207 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -13.992 0.377 -7.708 1.00 2.02 H new ATOM 639 N GLN A 41 -8.404 2.547 -2.741 1.00 0.56 N ATOM 640 CA GLN A 41 -7.442 2.158 -1.758 1.00 0.51 C ATOM 641 C GLN A 41 -6.874 3.230 -0.892 1.00 0.49 C ATOM 642 O GLN A 41 -6.519 4.317 -1.345 1.00 0.65 O ATOM 643 CB GLN A 41 -6.214 1.599 -2.497 1.00 0.67 C ATOM 644 CG GLN A 41 -6.520 0.334 -3.301 1.00 0.69 C ATOM 645 CD GLN A 41 -5.329 -0.334 -3.974 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.250 -0.599 -3.447 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.466 -0.506 -5.316 1.00 0.61 N ATOM 0 H GLN A 41 -7.986 2.785 -3.641 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.995 1.472 -1.117 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.823 2.363 -3.169 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.430 1.380 -1.772 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.989 -0.391 -2.636 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.253 0.584 -4.068 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.354 -0.291 -5.770 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.681 -0.850 -5.869 1.00 0.61 H new ATOM 656 N ARG A 42 -6.662 2.953 0.407 1.00 0.47 N ATOM 657 CA ARG A 42 -5.835 3.719 1.287 1.00 0.55 C ATOM 658 C ARG A 42 -4.781 2.852 1.885 1.00 0.46 C ATOM 659 O ARG A 42 -5.044 1.694 2.204 1.00 0.52 O ATOM 660 CB ARG A 42 -6.724 4.368 2.361 1.00 0.73 C ATOM 661 CG ARG A 42 -7.730 5.388 1.823 1.00 1.04 C ATOM 662 CD ARG A 42 -9.152 4.935 1.484 1.00 1.28 C ATOM 663 NE ARG A 42 -10.020 6.041 0.993 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.966 6.675 -0.215 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.177 6.130 -1.185 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.568 7.874 -0.470 1.00 2.78 N ATOM 0 H ARG A 42 -7.091 2.151 0.868 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.325 4.509 0.737 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.268 3.583 2.887 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.085 4.859 3.095 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.809 6.189 2.558 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -7.302 5.825 0.921 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.106 4.154 0.725 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -9.606 4.492 2.370 1.00 1.28 H new ATOM 0 HE ARG A 42 -10.742 6.364 1.637 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -8.652 5.276 -0.995 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -9.112 6.576 -2.100 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.095 8.347 0.264 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.491 8.297 -1.395 1.00 2.78 H new ATOM 680 N LEU A 43 -3.526 3.324 1.987 1.00 0.46 N ATOM 681 CA LEU A 43 -2.471 2.544 2.556 1.00 0.42 C ATOM 682 C LEU A 43 -2.105 3.222 3.832 1.00 0.43 C ATOM 683 O LEU A 43 -2.131 4.448 3.923 1.00 0.55 O ATOM 684 CB LEU A 43 -1.291 2.359 1.587 1.00 0.55 C ATOM 685 CG LEU A 43 -1.758 1.663 0.297 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.769 1.973 -0.840 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.991 0.169 0.574 1.00 1.12 C ATOM 0 H LEU A 43 -3.241 4.252 1.673 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.791 1.521 2.756 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.855 3.328 1.347 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.510 1.767 2.064 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.720 2.048 -0.042 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -1.100 1.480 -1.754 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.728 3.050 -1.003 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.222 1.609 -0.569 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.322 -0.323 -0.340 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.062 -0.287 0.916 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.755 0.056 1.343 1.00 1.12 H new ATOM 699 N ILE A 44 -1.858 2.330 4.808 1.00 0.42 N ATOM 700 CA ILE A 44 -1.442 2.536 6.161 1.00 0.46 C ATOM 701 C ILE A 44 -0.149 1.829 6.375 1.00 0.42 C ATOM 702 O ILE A 44 -0.010 0.646 6.070 1.00 0.53 O ATOM 703 CB ILE A 44 -2.448 2.029 7.152 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.930 2.287 6.829 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.079 2.682 8.495 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.459 3.718 6.905 1.00 1.27 C ATOM 0 H ILE A 44 -1.966 1.334 4.618 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.338 3.609 6.320 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.386 0.941 7.149 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.117 1.918 5.820 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.527 1.677 7.507 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.777 2.352 9.264 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.067 2.391 8.775 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.131 3.766 8.399 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.519 3.728 6.649 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.326 4.102 7.917 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.910 4.346 6.204 1.00 1.27 H new ATOM 718 N PHE A 45 0.837 2.584 6.895 1.00 0.42 N ATOM 719 CA PHE A 45 2.059 1.955 7.293 1.00 0.46 C ATOM 720 C PHE A 45 2.428 2.621 8.574 1.00 0.68 C ATOM 721 O PHE A 45 2.577 3.839 8.669 1.00 1.50 O ATOM 722 CB PHE A 45 3.228 2.236 6.335 1.00 0.56 C ATOM 723 CG PHE A 45 4.561 1.615 6.582 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.629 0.244 6.648 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.708 2.327 6.842 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.779 -0.417 7.013 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.864 1.682 7.211 1.00 1.33 C ATOM 728 CZ PHE A 45 6.894 0.314 7.351 1.00 1.02 C ATOM 0 H PHE A 45 0.794 3.593 7.036 1.00 0.42 H new ATOM 0 HA PHE A 45 1.904 0.877 7.335 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.909 1.933 5.338 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.373 3.316 6.309 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.750 -0.334 6.405 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.700 3.403 6.755 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.806 -1.496 7.034 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.760 2.256 7.393 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.781 -0.179 7.721 1.00 1.02 H new ATOM 738 N ALA A 46 2.651 1.818 9.630 1.00 0.81 N ATOM 739 CA ALA A 46 3.132 2.234 10.911 1.00 0.96 C ATOM 740 C ALA A 46 2.546 3.414 11.605 1.00 0.97 C ATOM 741 O ALA A 46 3.205 4.260 12.210 1.00 1.21 O ATOM 742 CB ALA A 46 4.662 2.333 10.798 1.00 1.20 C ATOM 0 H ALA A 46 2.484 0.813 9.585 1.00 0.81 H new ATOM 0 HA ALA A 46 2.772 1.465 11.594 1.00 0.96 H new ATOM 0 HB1 ALA A 46 5.078 2.649 11.755 1.00 1.20 H new ATOM 0 HB2 ALA A 46 5.071 1.359 10.528 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.924 3.062 10.031 1.00 1.20 H new ATOM 748 N GLY A 47 1.212 3.573 11.566 1.00 0.99 N ATOM 749 CA GLY A 47 0.550 4.684 12.177 1.00 1.10 C ATOM 750 C GLY A 47 0.225 5.776 11.217 1.00 1.03 C ATOM 751 O GLY A 47 -0.681 6.584 11.414 1.00 1.30 O ATOM 0 H GLY A 47 0.581 2.919 11.102 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.370 4.336 12.647 1.00 1.10 H new ATOM 0 HA3 GLY A 47 1.182 5.083 12.971 1.00 1.10 H new ATOM 755 N LYS A 48 0.862 5.803 10.033 1.00 0.98 N ATOM 756 CA LYS A 48 0.624 6.831 9.067 1.00 1.05 C ATOM 757 C LYS A 48 -0.125 6.402 7.853 1.00 0.84 C ATOM 758 O LYS A 48 0.134 5.339 7.291 1.00 0.81 O ATOM 759 CB LYS A 48 1.935 7.420 8.521 1.00 1.42 C ATOM 760 CG LYS A 48 2.841 7.814 9.688 1.00 1.61 C ATOM 761 CD LYS A 48 4.021 8.707 9.296 1.00 1.87 C ATOM 762 CE LYS A 48 4.882 8.970 10.533 1.00 2.22 C ATOM 763 NZ LYS A 48 6.084 9.745 10.155 1.00 2.55 N ATOM 0 H LYS A 48 1.548 5.106 9.743 1.00 0.98 H new ATOM 0 HA LYS A 48 0.031 7.547 9.636 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.438 6.690 7.887 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.724 8.291 7.900 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.243 8.331 10.439 1.00 1.61 H new ATOM 0 HG3 LYS A 48 3.226 6.908 10.156 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.615 8.225 8.520 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.659 9.648 8.883 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.305 9.518 11.278 1.00 2.22 H new ATOM 0 HE3 LYS A 48 5.177 8.025 10.989 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.664 9.920 11.000 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 6.639 9.207 9.459 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.795 10.653 9.739 1.00 2.55 H new ATOM 777 N GLN A 49 -1.111 7.211 7.426 1.00 0.84 N ATOM 778 CA GLN A 49 -1.764 7.002 6.171 1.00 0.80 C ATOM 779 C GLN A 49 -1.006 7.706 5.100 1.00 0.72 C ATOM 780 O GLN A 49 -0.671 8.885 5.203 1.00 0.83 O ATOM 781 CB GLN A 49 -3.239 7.440 6.166 1.00 1.03 C ATOM 782 CG GLN A 49 -3.951 7.056 4.868 1.00 1.67 C ATOM 783 CD GLN A 49 -5.450 7.319 4.829 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.161 6.568 5.493 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.822 8.349 4.022 1.00 2.48 N ATOM 0 H GLN A 49 -1.457 8.013 7.952 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.772 5.928 5.987 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.755 6.983 7.010 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.296 8.520 6.304 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.485 7.599 4.046 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.783 5.995 4.684 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.113 8.891 3.528 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.810 8.579 3.911 1.00 2.48 H new ATOM 794 N LEU A 50 -0.657 6.959 4.038 1.00 0.69 N ATOM 795 CA LEU A 50 0.354 7.447 3.152 1.00 0.66 C ATOM 796 C LEU A 50 -0.211 8.278 2.051 1.00 0.72 C ATOM 797 O LEU A 50 -1.236 8.048 1.411 1.00 0.90 O ATOM 798 CB LEU A 50 1.142 6.286 2.526 1.00 0.65 C ATOM 799 CG LEU A 50 1.764 5.393 3.614 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.248 4.087 2.960 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.990 6.087 4.230 1.00 0.74 C ATOM 0 H LEU A 50 -1.056 6.052 3.797 1.00 0.69 H new ATOM 0 HA LEU A 50 1.014 8.068 3.758 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.481 5.691 1.896 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.927 6.680 1.881 1.00 0.65 H new ATOM 0 HG LEU A 50 1.018 5.200 4.385 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.692 3.443 3.719 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.403 3.576 2.499 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.993 4.316 2.198 1.00 0.77 H new ATOM 0 HD21 LEU A 50 3.423 5.447 4.999 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.732 6.273 3.453 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.686 7.034 4.676 1.00 0.74 H new ATOM 813 N GLU A 51 0.551 9.311 1.650 1.00 0.70 N ATOM 814 CA GLU A 51 0.224 10.248 0.620 1.00 0.76 C ATOM 815 C GLU A 51 0.781 9.921 -0.722 1.00 0.77 C ATOM 816 O GLU A 51 1.937 9.568 -0.947 1.00 1.23 O ATOM 817 CB GLU A 51 0.591 11.688 1.017 1.00 0.88 C ATOM 818 CG GLU A 51 0.025 12.162 2.358 1.00 1.35 C ATOM 819 CD GLU A 51 0.802 13.403 2.774 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.924 14.372 1.978 1.00 1.94 O ATOM 821 OE2 GLU A 51 1.244 13.384 3.953 1.00 1.89 O ATOM 0 H GLU A 51 1.458 9.504 2.075 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.859 10.169 0.521 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.677 11.773 1.050 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.242 12.363 0.235 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.037 12.388 2.266 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.120 11.380 3.112 1.00 1.35 H new ATOM 828 N ASP A 52 -0.085 9.840 -1.749 1.00 0.66 N ATOM 829 CA ASP A 52 0.051 9.362 -3.089 1.00 0.65 C ATOM 830 C ASP A 52 1.210 9.802 -3.918 1.00 0.60 C ATOM 831 O ASP A 52 1.933 8.952 -4.432 1.00 0.62 O ATOM 832 CB ASP A 52 -1.172 9.651 -3.976 1.00 0.81 C ATOM 833 CG ASP A 52 -2.437 9.110 -3.325 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.072 9.776 -2.464 1.00 1.44 O ATOM 835 OD2 ASP A 52 -2.871 8.006 -3.747 1.00 1.56 O ATOM 0 H ASP A 52 -1.040 10.168 -1.604 1.00 0.66 H new ATOM 0 HA ASP A 52 0.196 8.311 -2.838 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.268 10.725 -4.136 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.035 9.194 -4.956 1.00 0.81 H new ATOM 840 N GLY A 53 1.530 11.103 -4.031 1.00 0.68 N ATOM 841 CA GLY A 53 2.767 11.527 -4.612 1.00 0.73 C ATOM 842 C GLY A 53 3.961 11.693 -3.737 1.00 0.72 C ATOM 843 O GLY A 53 4.603 12.722 -3.939 1.00 0.97 O ATOM 0 H GLY A 53 0.929 11.866 -3.718 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.027 10.809 -5.390 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.587 12.482 -5.106 1.00 0.73 H new ATOM 847 N ARG A 54 4.264 10.735 -2.842 1.00 0.64 N ATOM 848 CA ARG A 54 5.493 10.574 -2.130 1.00 0.63 C ATOM 849 C ARG A 54 5.899 9.175 -2.444 1.00 0.59 C ATOM 850 O ARG A 54 4.974 8.406 -2.700 1.00 0.62 O ATOM 851 CB ARG A 54 5.335 10.827 -0.621 1.00 0.69 C ATOM 852 CG ARG A 54 6.627 11.052 0.166 1.00 0.82 C ATOM 853 CD ARG A 54 6.337 11.447 1.615 1.00 1.18 C ATOM 854 NE ARG A 54 7.602 11.526 2.398 1.00 1.50 N ATOM 855 CZ ARG A 54 7.569 11.983 3.684 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.430 12.203 4.405 1.00 2.48 N ATOM 857 NH2 ARG A 54 8.751 12.357 4.254 1.00 2.49 N ATOM 0 H ARG A 54 3.588 10.011 -2.597 1.00 0.64 H new ATOM 0 HA ARG A 54 6.250 11.300 -2.428 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.695 11.699 -0.485 1.00 0.69 H new ATOM 0 HB3 ARG A 54 4.812 9.976 -0.184 1.00 0.69 H new ATOM 0 HG2 ARG A 54 7.228 10.143 0.149 1.00 0.82 H new ATOM 0 HG3 ARG A 54 7.216 11.833 -0.315 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.826 12.410 1.640 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.666 10.718 2.069 1.00 1.18 H new ATOM 0 HE ARG A 54 8.486 11.241 1.976 1.00 1.50 H new ATOM 0 HH11 ARG A 54 5.518 12.024 3.985 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.491 12.546 5.363 1.00 2.48 H new ATOM 0 HH21 ARG A 54 9.618 12.290 3.721 1.00 2.49 H new ATOM 0 HH22 ARG A 54 8.768 12.704 5.213 1.00 2.49 H new ATOM 871 N THR A 55 7.219 8.916 -2.407 1.00 0.63 N ATOM 872 CA THR A 55 7.766 7.612 -2.619 1.00 0.61 C ATOM 873 C THR A 55 8.035 6.808 -1.393 1.00 0.59 C ATOM 874 O THR A 55 8.111 7.385 -0.309 1.00 0.64 O ATOM 875 CB THR A 55 9.112 7.639 -3.281 1.00 0.68 C ATOM 876 OG1 THR A 55 10.125 8.237 -2.488 1.00 0.75 O ATOM 877 CG2 THR A 55 8.997 8.380 -4.624 1.00 0.76 C ATOM 0 H THR A 55 7.923 9.631 -2.225 1.00 0.63 H new ATOM 0 HA THR A 55 6.974 7.167 -3.222 1.00 0.61 H new ATOM 0 HB THR A 55 9.414 6.602 -3.430 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.866 7.606 -2.374 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.972 8.404 -5.111 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.283 7.862 -5.265 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.654 9.400 -4.449 1.00 0.76 H new ATOM 885 N LEU A 56 8.144 5.475 -1.533 1.00 0.58 N ATOM 886 CA LEU A 56 8.496 4.647 -0.421 1.00 0.59 C ATOM 887 C LEU A 56 9.763 5.007 0.277 1.00 0.64 C ATOM 888 O LEU A 56 9.904 4.945 1.497 1.00 0.70 O ATOM 889 CB LEU A 56 8.749 3.237 -0.983 1.00 0.60 C ATOM 890 CG LEU A 56 7.427 2.620 -1.465 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.696 1.257 -2.127 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.285 2.475 -0.444 1.00 1.03 C ATOM 0 H LEU A 56 7.990 4.974 -2.408 1.00 0.58 H new ATOM 0 HA LEU A 56 7.680 4.749 0.295 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.459 3.287 -1.809 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.197 2.605 -0.216 1.00 0.60 H new ATOM 0 HG LEU A 56 7.050 3.363 -2.168 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.754 0.825 -2.466 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.362 1.392 -2.980 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.163 0.587 -1.405 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.419 2.025 -0.929 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.611 1.839 0.379 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.015 3.458 -0.058 1.00 1.03 H new ATOM 904 N SER A 57 10.833 5.382 -0.447 1.00 0.68 N ATOM 905 CA SER A 57 12.070 5.748 0.169 1.00 0.75 C ATOM 906 C SER A 57 12.153 7.062 0.867 1.00 0.76 C ATOM 907 O SER A 57 13.060 7.322 1.655 1.00 0.84 O ATOM 908 CB SER A 57 13.211 5.844 -0.859 1.00 0.84 C ATOM 909 OG SER A 57 12.662 6.579 -1.943 1.00 1.19 O ATOM 0 H SER A 57 10.840 5.432 -1.466 1.00 0.68 H new ATOM 0 HA SER A 57 12.149 4.947 0.903 1.00 0.75 H new ATOM 0 HB2 SER A 57 14.081 6.349 -0.439 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.540 4.855 -1.178 1.00 0.84 H new ATOM 0 HG SER A 57 13.339 6.683 -2.644 1.00 1.19 H new ATOM 915 N ASP A 58 11.136 7.933 0.734 1.00 0.75 N ATOM 916 CA ASP A 58 11.116 9.156 1.474 1.00 0.78 C ATOM 917 C ASP A 58 10.346 8.906 2.725 1.00 0.77 C ATOM 918 O ASP A 58 10.798 9.461 3.725 1.00 0.86 O ATOM 919 CB ASP A 58 10.618 10.297 0.571 1.00 0.83 C ATOM 920 CG ASP A 58 11.061 11.625 1.167 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.435 12.037 2.180 1.00 1.90 O ATOM 922 OD2 ASP A 58 12.001 12.295 0.662 1.00 1.86 O ATOM 0 H ASP A 58 10.334 7.792 0.119 1.00 0.75 H new ATOM 0 HA ASP A 58 12.103 9.492 1.791 1.00 0.78 H new ATOM 0 HB2 ASP A 58 11.019 10.183 -0.436 1.00 0.83 H new ATOM 0 HB3 ASP A 58 9.532 10.265 0.487 1.00 0.83 H new ATOM 927 N TYR A 59 9.338 8.016 2.705 1.00 0.72 N ATOM 928 CA TYR A 59 8.543 7.618 3.825 1.00 0.73 C ATOM 929 C TYR A 59 9.339 6.615 4.588 1.00 0.76 C ATOM 930 O TYR A 59 8.997 6.156 5.676 1.00 0.89 O ATOM 931 CB TYR A 59 7.159 7.015 3.531 1.00 0.73 C ATOM 932 CG TYR A 59 6.099 8.038 3.311 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.824 8.723 4.472 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.181 8.067 2.287 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.685 9.492 4.524 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.011 8.787 2.320 1.00 0.70 C ATOM 937 CZ TYR A 59 3.764 9.442 3.503 1.00 0.74 C ATOM 938 OH TYR A 59 2.566 10.172 3.651 1.00 0.86 O ATOM 0 H TYR A 59 9.060 7.542 1.846 1.00 0.72 H new ATOM 0 HA TYR A 59 8.321 8.538 4.366 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.229 6.380 2.648 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.867 6.374 4.363 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.487 8.658 5.322 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.393 7.487 1.401 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.512 10.139 5.371 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.335 8.835 1.479 1.00 0.70 H new ATOM 0 HH TYR A 59 2.567 10.931 3.031 1.00 0.86 H new ATOM 948 N ASN A 60 10.518 6.164 4.125 1.00 0.74 N ATOM 949 CA ASN A 60 11.386 5.153 4.646 1.00 0.79 C ATOM 950 C ASN A 60 10.684 3.849 4.805 1.00 0.75 C ATOM 951 O ASN A 60 10.448 3.410 5.929 1.00 0.86 O ATOM 952 CB ASN A 60 12.133 5.638 5.900 1.00 0.95 C ATOM 953 CG ASN A 60 13.292 4.732 6.288 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.241 3.595 6.755 1.00 1.84 O ATOM 955 ND2 ASN A 60 14.506 5.307 6.079 1.00 1.83 N ATOM 0 H ASN A 60 10.910 6.564 3.273 1.00 0.74 H new ATOM 0 HA ASN A 60 12.167 4.960 3.910 1.00 0.79 H new ATOM 0 HB2 ASN A 60 12.509 6.646 5.725 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.432 5.700 6.733 1.00 0.95 H new ATOM 0 HD21 ASN A 60 15.359 4.796 6.309 1.00 1.83 H new ATOM 0 HD22 ASN A 60 14.564 6.249 5.692 1.00 1.83 H new ATOM 962 N ILE A 61 10.370 3.164 3.691 1.00 0.67 N ATOM 963 CA ILE A 61 9.722 1.892 3.778 1.00 0.65 C ATOM 964 C ILE A 61 10.699 0.922 3.210 1.00 0.66 C ATOM 965 O ILE A 61 10.962 0.919 2.009 1.00 0.75 O ATOM 966 CB ILE A 61 8.450 1.944 2.984 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.513 2.874 3.772 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.748 0.585 2.819 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.364 3.466 2.957 1.00 0.82 C ATOM 0 H ILE A 61 10.561 3.485 2.742 1.00 0.67 H new ATOM 0 HA ILE A 61 9.449 1.607 4.794 1.00 0.65 H new ATOM 0 HB ILE A 61 8.685 2.282 1.975 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.096 2.319 4.612 1.00 0.70 H new ATOM 0 HG13 ILE A 61 8.102 3.691 4.190 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.838 0.714 2.233 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.414 -0.109 2.306 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.494 0.185 3.801 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.757 4.108 3.596 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.768 4.053 2.132 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.746 2.660 2.561 1.00 0.82 H new ATOM 981 N GLN A 62 11.247 0.038 4.063 1.00 0.67 N ATOM 982 CA GLN A 62 12.285 -0.877 3.703 1.00 0.70 C ATOM 983 C GLN A 62 11.688 -2.191 3.335 1.00 0.62 C ATOM 984 O GLN A 62 10.490 -2.465 3.302 1.00 0.64 O ATOM 985 CB GLN A 62 13.143 -0.966 4.977 1.00 0.85 C ATOM 986 CG GLN A 62 13.744 0.382 5.377 1.00 1.27 C ATOM 987 CD GLN A 62 14.744 0.223 6.513 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.746 -0.464 6.327 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.537 0.981 7.623 1.00 2.16 N ATOM 0 H GLN A 62 10.957 -0.042 5.038 1.00 0.67 H new ATOM 0 HA GLN A 62 12.874 -0.566 2.840 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.532 -1.345 5.796 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.947 -1.686 4.820 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.237 0.833 4.516 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.948 1.062 5.682 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.681 1.529 7.714 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.237 1.002 8.364 1.00 2.16 H new ATOM 998 N LYS A 63 12.638 -3.113 3.092 1.00 0.64 N ATOM 999 CA LYS A 63 12.391 -4.485 2.772 1.00 0.62 C ATOM 1000 C LYS A 63 11.597 -5.173 3.828 1.00 0.59 C ATOM 1001 O LYS A 63 11.774 -4.977 5.030 1.00 0.66 O ATOM 1002 CB LYS A 63 13.732 -5.233 2.682 1.00 0.74 C ATOM 1003 CG LYS A 63 14.737 -5.165 3.833 1.00 0.89 C ATOM 1004 CD LYS A 63 15.997 -6.006 3.624 1.00 1.11 C ATOM 1005 CE LYS A 63 16.879 -5.627 2.432 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.904 -6.692 2.349 1.00 2.12 N ATOM 0 H LYS A 63 13.632 -2.888 3.121 1.00 0.64 H new ATOM 0 HA LYS A 63 11.841 -4.497 1.831 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.503 -6.286 2.517 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.242 -4.874 1.788 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.030 -4.126 3.982 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.245 -5.492 4.749 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.602 -5.946 4.529 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.697 -7.048 3.509 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.295 -5.571 1.513 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.339 -4.649 2.578 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.544 -6.497 1.553 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 18.450 -6.718 3.234 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 17.439 -7.611 2.202 1.00 2.12 H new ATOM 1020 N GLU A 64 10.666 -6.024 3.359 1.00 0.57 N ATOM 1021 CA GLU A 64 9.856 -6.884 4.163 1.00 0.58 C ATOM 1022 C GLU A 64 8.851 -6.151 4.982 1.00 0.56 C ATOM 1023 O GLU A 64 8.374 -6.676 5.987 1.00 0.70 O ATOM 1024 CB GLU A 64 10.657 -7.987 4.877 1.00 0.72 C ATOM 1025 CG GLU A 64 11.217 -8.956 3.833 1.00 0.96 C ATOM 1026 CD GLU A 64 11.923 -10.101 4.543 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.288 -10.763 5.407 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.087 -10.390 4.155 1.00 1.69 O ATOM 0 H GLU A 64 10.469 -6.116 2.362 1.00 0.57 H new ATOM 0 HA GLU A 64 9.230 -7.456 3.478 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.469 -7.547 5.455 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.018 -8.521 5.580 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.412 -9.341 3.208 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.912 -8.437 3.173 1.00 0.96 H new ATOM 1035 N SER A 65 8.503 -4.909 4.603 1.00 0.51 N ATOM 1036 CA SER A 65 7.668 -4.095 5.432 1.00 0.51 C ATOM 1037 C SER A 65 6.221 -4.363 5.202 1.00 0.43 C ATOM 1038 O SER A 65 5.812 -4.700 4.092 1.00 0.50 O ATOM 1039 CB SER A 65 7.943 -2.618 5.101 1.00 0.65 C ATOM 1040 OG SER A 65 9.215 -2.151 5.527 1.00 1.04 O ATOM 0 H SER A 65 8.796 -4.470 3.730 1.00 0.51 H new ATOM 0 HA SER A 65 7.897 -4.327 6.472 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.860 -2.478 4.023 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.170 -2.004 5.563 1.00 0.65 H new ATOM 0 HG SER A 65 9.750 -1.900 4.745 1.00 1.04 H new ATOM 1046 N THR A 66 5.360 -4.241 6.229 1.00 0.45 N ATOM 1047 CA THR A 66 3.979 -4.579 6.081 1.00 0.45 C ATOM 1048 C THR A 66 3.096 -3.382 5.978 1.00 0.43 C ATOM 1049 O THR A 66 2.831 -2.708 6.972 1.00 0.58 O ATOM 1050 CB THR A 66 3.362 -5.504 7.088 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.181 -6.661 7.143 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.015 -6.077 6.615 1.00 0.78 C ATOM 0 H THR A 66 5.619 -3.910 7.158 1.00 0.45 H new ATOM 0 HA THR A 66 4.029 -5.138 5.147 1.00 0.45 H new ATOM 0 HB THR A 66 3.251 -4.941 8.015 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.811 -7.293 7.794 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.612 -6.740 7.381 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.315 -5.261 6.437 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.162 -6.637 5.692 1.00 0.78 H new ATOM 1060 N LEU A 67 2.496 -3.127 4.802 1.00 0.38 N ATOM 1061 CA LEU A 67 1.543 -2.076 4.628 1.00 0.38 C ATOM 1062 C LEU A 67 0.154 -2.583 4.808 1.00 0.37 C ATOM 1063 O LEU A 67 -0.185 -3.725 4.500 1.00 0.50 O ATOM 1064 CB LEU A 67 1.552 -1.374 3.259 1.00 0.46 C ATOM 1065 CG LEU A 67 2.836 -0.577 2.972 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.068 -1.474 2.770 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.545 0.323 1.758 1.00 1.31 C ATOM 0 H LEU A 67 2.677 -3.663 3.953 1.00 0.38 H new ATOM 0 HA LEU A 67 1.847 -1.352 5.384 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.419 -2.122 2.478 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.698 -0.699 3.203 1.00 0.46 H new ATOM 0 HG LEU A 67 3.098 0.032 3.837 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.942 -0.853 2.571 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.240 -2.064 3.670 1.00 1.40 H new ATOM 0 HD13 LEU A 67 3.898 -2.141 1.925 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.432 0.909 1.518 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.277 -0.296 0.902 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.719 0.995 1.993 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.777 -1.765 5.331 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.107 -2.233 5.571 1.00 0.37 C ATOM 1081 C HIS A 68 -3.074 -1.528 4.683 1.00 0.35 C ATOM 1082 O HIS A 68 -3.078 -0.300 4.613 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.405 -2.013 7.064 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.764 -3.048 7.941 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.526 -2.858 8.520 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.128 -4.333 8.198 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.198 -4.026 9.137 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.124 -4.942 8.922 1.00 1.51 N ATOM 0 H HIS A 68 -0.612 -0.791 5.585 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.205 -3.293 5.338 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.053 -1.024 7.359 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.484 -2.027 7.221 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.051 -4.800 7.887 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.696 -4.182 9.722 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.101 -5.914 9.232 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.885 -2.340 3.982 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.778 -1.910 2.951 1.00 0.38 C ATOM 1098 C LEU A 69 -6.195 -1.837 3.402 1.00 0.41 C ATOM 1099 O LEU A 69 -6.708 -2.771 4.016 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.590 -2.863 1.758 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.497 -2.685 0.529 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.542 -1.235 0.021 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.178 -3.640 -0.634 1.00 1.14 C ATOM 0 H LEU A 69 -3.920 -3.347 4.142 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.537 -0.888 2.660 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.556 -2.776 1.423 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.722 -3.882 2.123 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.487 -2.952 0.899 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.198 -1.174 -0.847 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.922 -0.585 0.809 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.538 -0.917 -0.260 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.863 -3.449 -1.460 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.153 -3.478 -0.967 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.292 -4.671 -0.300 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.864 -0.679 3.261 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.186 -0.353 3.699 1.00 0.56 C ATOM 1117 C VAL A 70 -8.844 0.424 2.611 1.00 0.55 C ATOM 1118 O VAL A 70 -8.238 1.274 1.962 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.293 0.240 5.073 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.525 -0.622 6.089 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.809 1.699 5.139 1.00 0.97 C ATOM 0 H VAL A 70 -6.429 0.113 2.788 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.739 -1.278 3.861 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.353 0.249 5.327 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.612 -0.179 7.081 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -7.944 -1.628 6.103 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.474 -0.671 5.804 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.912 2.071 6.159 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.763 1.749 4.838 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -8.409 2.312 4.467 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.096 0.070 2.264 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.894 0.609 1.207 1.00 0.84 C ATOM 1133 C LEU A 71 -11.896 1.651 1.567 1.00 0.85 C ATOM 1134 O LEU A 71 -12.441 1.760 2.664 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.560 -0.576 0.486 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.665 -1.581 -0.257 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.464 -2.815 -0.706 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.872 -1.018 -1.449 1.00 2.78 C ATOM 0 H LEU A 71 -10.593 -0.662 2.773 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.211 1.168 0.567 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.138 -1.131 1.225 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.270 -0.169 -0.234 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.918 -1.857 0.487 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.803 -3.506 -1.228 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.890 -3.310 0.167 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.267 -2.505 -1.375 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.276 -1.813 -1.898 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.564 -0.620 -2.191 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.213 -0.221 -1.104 1.00 2.78 H new ATOM 1150 N ARG A 72 -12.255 2.392 0.504 1.00 0.92 N ATOM 1151 CA ARG A 72 -13.123 3.528 0.530 1.00 1.10 C ATOM 1152 C ARG A 72 -14.545 3.226 0.858 1.00 1.35 C ATOM 1153 O ARG A 72 -15.220 2.385 0.267 1.00 1.56 O ATOM 1154 CB ARG A 72 -13.067 4.295 -0.802 1.00 1.34 C ATOM 1155 CG ARG A 72 -13.610 5.725 -0.809 1.00 1.65 C ATOM 1156 CD ARG A 72 -13.122 6.423 -2.081 1.00 1.99 C ATOM 1157 NE ARG A 72 -13.541 7.833 -2.315 1.00 2.54 N ATOM 1158 CZ ARG A 72 -13.087 8.604 -3.346 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -12.298 8.010 -4.289 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -13.313 9.942 -3.497 1.00 3.75 N ATOM 0 H ARG A 72 -11.916 2.183 -0.435 1.00 0.92 H new ATOM 0 HA ARG A 72 -12.741 4.141 1.346 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -12.028 4.327 -1.130 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -13.619 3.721 -1.546 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -14.699 5.717 -0.776 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -13.268 6.264 0.074 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -12.032 6.395 -2.079 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -13.454 5.831 -2.934 1.00 1.99 H new ATOM 0 HE ARG A 72 -14.208 8.248 -1.665 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -12.065 7.020 -4.209 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -11.941 8.556 -5.073 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -13.863 10.448 -2.803 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -12.932 10.436 -4.304 1.00 3.75 H new ATOM 1174 N LEU A 73 -15.101 3.839 1.917 1.00 1.54 N ATOM 1175 CA LEU A 73 -16.465 3.544 2.228 1.00 1.93 C ATOM 1176 C LEU A 73 -17.233 4.732 2.696 1.00 2.13 C ATOM 1177 O LEU A 73 -18.386 4.903 2.304 1.00 2.57 O ATOM 1178 CB LEU A 73 -16.507 2.435 3.293 1.00 2.23 C ATOM 1179 CG LEU A 73 -17.782 2.227 4.128 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -18.846 1.546 3.251 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -17.422 1.405 5.377 1.00 3.14 C ATOM 0 H LEU A 73 -14.635 4.507 2.532 1.00 1.54 H new ATOM 0 HA LEU A 73 -16.945 3.214 1.307 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -16.290 1.493 2.790 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -15.689 2.621 3.989 1.00 2.23 H new ATOM 0 HG LEU A 73 -18.200 3.175 4.467 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -19.755 1.394 3.834 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -19.068 2.178 2.391 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -18.471 0.583 2.906 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -18.316 1.249 5.980 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -17.016 0.440 5.073 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -16.678 1.943 5.964 1.00 3.14 H new ATOM 1193 N ARG A 74 -16.633 5.495 3.628 1.00 2.32 N ATOM 1194 CA ARG A 74 -17.304 6.709 3.977 1.00 2.55 C ATOM 1195 C ARG A 74 -17.438 7.707 2.878 1.00 2.58 C ATOM 1196 O ARG A 74 -18.553 8.008 2.458 1.00 3.08 O ATOM 1197 CB ARG A 74 -16.639 7.331 5.216 1.00 3.29 C ATOM 1198 CG ARG A 74 -16.645 6.436 6.457 1.00 4.01 C ATOM 1199 CD ARG A 74 -15.572 6.742 7.504 1.00 4.67 C ATOM 1200 NE ARG A 74 -15.986 5.933 8.685 1.00 5.36 N ATOM 1201 CZ ARG A 74 -15.279 4.828 9.063 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -14.714 4.075 8.075 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -15.273 4.333 10.334 1.00 6.80 N ATOM 0 H ARG A 74 -15.755 5.297 4.107 1.00 2.32 H new ATOM 0 HA ARG A 74 -18.332 6.424 4.199 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -15.607 7.583 4.971 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -17.147 8.265 5.455 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -17.623 6.513 6.933 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -16.528 5.401 6.136 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -14.579 6.459 7.154 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -15.536 7.805 7.741 1.00 4.67 H new ATOM 0 HE ARG A 74 -16.810 6.209 9.219 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -14.828 4.346 7.098 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -14.177 3.241 8.313 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -15.818 4.793 11.063 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -14.724 3.502 10.555 1.00 6.80 H new ATOM 1217 N GLY A 75 -16.309 8.308 2.463 1.00 2.73 N ATOM 1218 CA GLY A 75 -16.277 9.490 1.657 1.00 3.22 C ATOM 1219 C GLY A 75 -14.886 9.614 1.138 1.00 3.16 C ATOM 1220 O GLY A 75 -14.610 9.302 -0.019 1.00 3.57 O ATOM 0 H GLY A 75 -15.381 7.957 2.698 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -16.992 9.419 0.837 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -16.551 10.367 2.244 1.00 3.22 H new ATOM 1224 N GLY A 76 -13.979 10.115 1.995 1.00 3.14 N ATOM 1225 CA GLY A 76 -12.660 10.431 1.541 1.00 3.37 C ATOM 1226 C GLY A 76 -11.735 9.477 2.283 1.00 3.48 C ATOM 1227 O GLY A 76 -11.081 9.944 3.253 1.00 3.87 O ATOM 1228 OXT GLY A 76 -11.569 8.281 1.925 1.00 3.70 O ATOM 0 H GLY A 76 -14.153 10.299 2.983 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -12.575 10.301 0.462 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -12.409 11.469 1.758 1.00 3.37 H new TER 1232 GLY A 76