USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 Single : A 1 MET CE :methyl -117:sc= 0 (180deg=-0.0113) USER MOD Single : A 1 MET N :NH3+ 180:sc= 2.12 (180deg=2.12) USER MOD Single : A 2 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0238) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -74:sc= 0.023 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= 1.18 (180deg=0.956) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc=-0.00361 (180deg=-0.195) USER MOD Single : A 31 GLN : amide:sc= -0.155 K(o=-0.15,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 41 GLN : amide:sc= 1.04 K(o=1,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 55 THR OG1 : rot -49:sc= 0.925 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.0964 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= 1.15 (180deg=1.05) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.19 K(o=0.19,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.628 -7.551 -4.328 1.00 9.67 N ATOM 2 CA MET A 1 11.399 -7.898 -2.865 1.00 10.38 C ATOM 3 C MET A 1 9.927 -8.077 -2.558 1.00 9.62 C ATOM 4 O MET A 1 9.132 -7.437 -3.191 1.00 9.62 O ATOM 5 CB MET A 1 12.047 -6.790 -1.996 1.00 13.77 C ATOM 6 CG MET A 1 11.231 -5.478 -1.823 1.00 16.29 C ATOM 7 SD MET A 1 12.147 -4.147 -0.905 1.00 17.17 S ATOM 8 CE MET A 1 10.707 -2.959 -0.670 1.00 16.11 C ATOM 0 H1 MET A 1 12.647 -7.436 -4.502 1.00 9.67 H new ATOM 0 H2 MET A 1 11.259 -8.316 -4.928 1.00 9.67 H new ATOM 0 H3 MET A 1 11.135 -6.664 -4.556 1.00 9.67 H new ATOM 0 HA MET A 1 11.867 -8.855 -2.635 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.242 -7.203 -1.006 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.013 -6.536 -2.432 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.951 -5.102 -2.807 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.306 -5.703 -1.292 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.915 -2.026 -1.194 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.798 -3.406 -1.072 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.573 -2.756 0.392 1.00 16.11 H new ATOM 20 N GLN A 2 9.560 -9.031 -1.681 1.00 9.27 N ATOM 21 CA GLN A 2 8.330 -8.989 -0.945 1.00 9.07 C ATOM 22 C GLN A 2 8.119 -7.758 -0.028 1.00 8.72 C ATOM 23 O GLN A 2 9.078 -7.298 0.583 1.00 8.22 O ATOM 24 CB GLN A 2 8.075 -10.275 -0.140 1.00 14.46 C ATOM 25 CG GLN A 2 8.168 -11.483 -1.100 1.00 17.01 C ATOM 26 CD GLN A 2 8.075 -12.707 -0.168 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.860 -12.607 1.034 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.303 -13.887 -0.757 1.00 19.49 N ATOM 0 H GLN A 2 10.131 -9.851 -1.478 1.00 9.27 H new ATOM 0 HA GLN A 2 7.593 -8.895 -1.743 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.807 -10.371 0.662 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.092 -10.239 0.329 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.359 -11.475 -1.831 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.103 -11.477 -1.659 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.478 -13.930 -1.761 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.302 -14.743 -0.202 1.00 19.49 H new ATOM 37 N ILE A 3 6.789 -7.350 0.033 1.00 5.87 N ATOM 38 CA ILE A 3 6.067 -6.628 1.075 1.00 5.07 C ATOM 39 C ILE A 3 4.893 -7.419 1.445 1.00 4.01 C ATOM 40 O ILE A 3 4.262 -8.164 0.657 1.00 4.61 O ATOM 41 CB ILE A 3 5.744 -5.152 0.749 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.875 -5.021 -0.502 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.094 -4.424 0.672 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.326 -3.530 -0.480 1.00 10.83 C ATOM 0 H ILE A 3 6.165 -7.560 -0.746 1.00 5.87 H new ATOM 0 HA ILE A 3 6.728 -6.525 1.936 1.00 5.07 H new ATOM 0 HB ILE A 3 5.133 -4.687 1.522 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.455 -5.213 -1.405 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.057 -5.741 -0.489 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.927 -3.371 0.443 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.609 -4.510 1.629 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.705 -4.873 -0.111 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.692 -3.363 -1.351 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.745 -3.370 0.428 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.164 -2.833 -0.502 1.00 10.83 H new ATOM 56 N PHE A 4 4.513 -7.297 2.740 1.00 4.55 N ATOM 57 CA PHE A 4 3.306 -7.978 3.173 1.00 4.68 C ATOM 58 C PHE A 4 2.292 -6.877 3.542 1.00 5.30 C ATOM 59 O PHE A 4 2.395 -6.118 4.510 1.00 5.58 O ATOM 60 CB PHE A 4 3.458 -8.888 4.410 1.00 4.83 C ATOM 61 CG PHE A 4 4.602 -9.849 4.360 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.862 -10.543 3.215 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.408 -10.026 5.474 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.845 -11.534 3.124 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.501 -10.873 5.367 1.00 10.61 C ATOM 66 CZ PHE A 4 6.688 -11.745 4.249 1.00 8.90 C ATOM 0 H PHE A 4 5.004 -6.761 3.455 1.00 4.55 H new ATOM 0 HA PHE A 4 3.006 -8.632 2.354 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.573 -8.258 5.292 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.535 -9.454 4.540 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.280 -10.316 2.334 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.190 -9.517 6.401 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.960 -12.122 2.225 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.238 -10.874 6.157 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.434 -12.526 4.259 1.00 8.90 H new ATOM 76 N VAL A 5 1.210 -6.723 2.773 1.00 4.44 N ATOM 77 CA VAL A 5 0.066 -5.887 3.103 1.00 3.87 C ATOM 78 C VAL A 5 -0.820 -6.635 4.111 1.00 4.93 C ATOM 79 O VAL A 5 -1.497 -7.616 3.766 1.00 6.84 O ATOM 80 CB VAL A 5 -0.647 -5.267 1.877 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.844 -4.363 2.249 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.318 -4.446 1.145 1.00 9.13 C ATOM 0 H VAL A 5 1.109 -7.195 1.875 1.00 4.44 H new ATOM 0 HA VAL A 5 0.410 -4.980 3.601 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.032 -6.097 1.284 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.295 -3.964 1.340 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.585 -4.947 2.795 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.498 -3.540 2.874 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.168 -4.001 0.277 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.692 -3.656 1.796 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.150 -5.069 0.816 1.00 9.13 H new ATOM 92 N LYS A 6 -0.944 -6.091 5.319 1.00 6.04 N ATOM 93 CA LYS A 6 -1.920 -6.589 6.343 1.00 6.12 C ATOM 94 C LYS A 6 -3.179 -5.664 6.293 1.00 6.57 C ATOM 95 O LYS A 6 -3.124 -4.433 6.423 1.00 5.76 O ATOM 96 CB LYS A 6 -1.338 -6.805 7.774 1.00 7.45 C ATOM 97 CG LYS A 6 -0.320 -7.944 7.870 1.00 11.12 C ATOM 98 CD LYS A 6 0.165 -8.164 9.300 1.00 14.54 C ATOM 99 CE LYS A 6 -0.886 -9.056 10.035 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.415 -9.493 11.381 1.00 20.55 N ATOM 0 H LYS A 6 -0.386 -5.298 5.635 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.203 -7.608 6.080 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.865 -5.881 8.105 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.159 -7.007 8.462 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.770 -8.863 7.495 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.533 -7.722 7.229 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.142 -8.647 9.301 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.281 -7.210 9.814 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.819 -8.502 10.141 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.104 -9.933 9.426 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.145 -10.082 11.830 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.461 -10.045 11.280 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.232 -8.658 11.973 1.00 20.55 H new ATOM 114 N THR A 7 -4.339 -6.300 6.076 1.00 7.41 N ATOM 115 CA THR A 7 -5.673 -5.621 5.997 1.00 7.48 C ATOM 116 C THR A 7 -6.591 -6.252 7.001 1.00 8.75 C ATOM 117 O THR A 7 -6.357 -7.366 7.429 1.00 8.58 O ATOM 118 CB THR A 7 -6.265 -5.660 4.632 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.496 -4.869 4.528 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.597 -7.016 4.188 1.00 9.17 C ATOM 0 H THR A 7 -4.395 -7.310 5.947 1.00 7.41 H new ATOM 0 HA THR A 7 -5.532 -4.565 6.226 1.00 7.48 H new ATOM 0 HB THR A 7 -5.485 -5.239 3.998 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.845 -4.925 3.614 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.024 -6.976 3.186 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.693 -7.625 4.173 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.321 -7.457 4.874 1.00 9.17 H new ATOM 128 N LEU A 8 -7.724 -5.541 7.366 1.00 9.84 N ATOM 129 CA LEU A 8 -8.530 -5.728 8.575 1.00 14.15 C ATOM 130 C LEU A 8 -9.232 -7.110 8.744 1.00 17.37 C ATOM 131 O LEU A 8 -9.582 -7.542 9.832 1.00 17.01 O ATOM 132 CB LEU A 8 -9.591 -4.688 8.816 1.00 16.63 C ATOM 133 CG LEU A 8 -9.059 -3.227 9.010 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.249 -2.294 9.370 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.094 -3.092 10.187 1.00 18.59 C ATOM 0 H LEU A 8 -8.091 -4.794 6.777 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.731 -5.639 9.311 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.284 -4.697 7.975 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.161 -4.971 9.701 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.556 -2.968 8.078 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.885 -1.276 9.506 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.982 -2.312 8.564 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.716 -2.639 10.293 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.762 -2.057 10.268 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.600 -3.384 11.107 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.231 -3.739 10.026 1.00 18.59 H new ATOM 147 N THR A 9 -9.369 -7.881 7.634 1.00 18.33 N ATOM 148 CA THR A 9 -9.857 -9.190 7.530 1.00 19.24 C ATOM 149 C THR A 9 -8.879 -10.221 8.083 1.00 19.48 C ATOM 150 O THR A 9 -9.168 -11.399 8.409 1.00 23.14 O ATOM 151 CB THR A 9 -10.421 -9.556 6.115 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.520 -9.209 5.085 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.752 -8.847 5.883 1.00 19.70 C ATOM 0 H THR A 9 -9.098 -7.518 6.720 1.00 18.33 H new ATOM 0 HA THR A 9 -10.733 -9.224 8.178 1.00 19.24 H new ATOM 0 HB THR A 9 -10.565 -10.636 6.090 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.905 -9.454 4.218 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.136 -9.108 4.897 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.467 -9.157 6.645 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.605 -7.769 5.942 1.00 19.70 H new ATOM 161 N GLY A 10 -7.591 -9.822 8.310 1.00 19.43 N ATOM 162 CA GLY A 10 -6.507 -10.649 8.848 1.00 18.74 C ATOM 163 C GLY A 10 -5.814 -11.214 7.690 1.00 17.62 C ATOM 164 O GLY A 10 -5.042 -12.167 7.837 1.00 19.74 O ATOM 0 H GLY A 10 -7.285 -8.870 8.108 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.827 -10.053 9.456 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.900 -11.438 9.490 1.00 18.74 H new ATOM 168 N LYS A 11 -6.175 -10.752 6.508 1.00 13.56 N ATOM 169 CA LYS A 11 -5.610 -11.185 5.243 1.00 11.91 C ATOM 170 C LYS A 11 -4.321 -10.443 5.046 1.00 10.18 C ATOM 171 O LYS A 11 -4.103 -9.265 5.270 1.00 9.10 O ATOM 172 CB LYS A 11 -6.657 -11.015 4.079 1.00 13.43 C ATOM 173 CG LYS A 11 -6.203 -11.671 2.716 1.00 16.69 C ATOM 174 CD LYS A 11 -7.245 -11.704 1.661 1.00 17.92 C ATOM 175 CE LYS A 11 -6.672 -11.994 0.278 1.00 20.81 C ATOM 176 NZ LYS A 11 -5.904 -13.270 0.220 1.00 21.93 N ATOM 0 H LYS A 11 -6.896 -10.039 6.398 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.379 -12.250 5.242 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.604 -11.457 4.387 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.839 -9.952 3.918 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.340 -11.125 2.336 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.873 -12.691 2.913 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.985 -12.465 1.910 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.766 -10.747 1.641 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.486 -12.034 -0.445 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.022 -11.171 -0.019 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -5.569 -13.429 -0.751 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -5.089 -13.214 0.863 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.518 -14.058 0.508 1.00 21.93 H new ATOM 190 N THR A 12 -3.313 -11.245 4.675 1.00 9.63 N ATOM 191 CA THR A 12 -1.930 -10.778 4.391 1.00 9.85 C ATOM 192 C THR A 12 -1.636 -11.028 2.962 1.00 11.66 C ATOM 193 O THR A 12 -1.541 -12.119 2.424 1.00 12.33 O ATOM 194 CB THR A 12 -0.882 -11.491 5.258 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.178 -11.271 6.632 1.00 10.91 O ATOM 196 CG2 THR A 12 0.529 -11.154 4.949 1.00 9.63 C ATOM 0 H THR A 12 -3.427 -12.252 4.559 1.00 9.63 H new ATOM 0 HA THR A 12 -1.875 -9.715 4.626 1.00 9.85 H new ATOM 0 HB THR A 12 -0.958 -12.551 5.016 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.511 -11.727 7.187 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.190 -11.709 5.615 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.749 -11.421 3.915 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.687 -10.085 5.089 1.00 9.63 H new ATOM 204 N ILE A 13 -1.402 -9.927 2.215 1.00 10.42 N ATOM 205 CA ILE A 13 -1.236 -9.879 0.705 1.00 11.84 C ATOM 206 C ILE A 13 0.291 -9.674 0.423 1.00 10.55 C ATOM 207 O ILE A 13 0.832 -8.576 0.620 1.00 11.92 O ATOM 208 CB ILE A 13 -2.150 -8.842 0.103 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.611 -8.982 0.586 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.107 -8.950 -1.465 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.341 -7.635 0.497 1.00 16.46 C ATOM 0 H ILE A 13 -1.317 -9.004 2.640 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.541 -10.805 0.218 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.791 -7.867 0.432 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.131 -9.724 -0.020 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.627 -9.343 1.614 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.768 -8.200 -1.900 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.088 -8.781 -1.814 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.435 -9.944 -1.770 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.368 -7.754 0.841 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.831 -6.903 1.123 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.343 -7.290 -0.537 1.00 16.46 H new ATOM 223 N THR A 14 0.973 -10.758 -0.020 1.00 9.39 N ATOM 224 CA THR A 14 2.356 -10.743 -0.365 1.00 9.63 C ATOM 225 C THR A 14 2.499 -10.207 -1.783 1.00 11.20 C ATOM 226 O THR A 14 1.822 -10.739 -2.649 1.00 11.63 O ATOM 227 CB THR A 14 3.188 -12.077 -0.241 1.00 10.38 C ATOM 228 OG1 THR A 14 2.962 -12.705 0.995 1.00 16.30 O ATOM 229 CG2 THR A 14 4.700 -11.718 -0.406 1.00 11.66 C ATOM 0 H THR A 14 0.538 -11.673 -0.139 1.00 9.39 H new ATOM 0 HA THR A 14 2.795 -10.108 0.404 1.00 9.63 H new ATOM 0 HB THR A 14 2.877 -12.777 -1.016 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.431 -12.214 1.702 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.300 -12.624 -0.324 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.861 -11.263 -1.383 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.995 -11.016 0.374 1.00 11.66 H new ATOM 237 N LEU A 15 3.245 -9.151 -2.045 1.00 8.29 N ATOM 238 CA LEU A 15 3.343 -8.492 -3.345 1.00 9.03 C ATOM 239 C LEU A 15 4.829 -8.418 -3.658 1.00 8.59 C ATOM 240 O LEU A 15 5.622 -8.177 -2.758 1.00 7.79 O ATOM 241 CB LEU A 15 2.828 -7.018 -3.397 1.00 11.08 C ATOM 242 CG LEU A 15 1.316 -7.001 -3.105 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.665 -5.627 -2.947 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.603 -7.784 -4.224 1.00 15.27 C ATOM 0 H LEU A 15 3.825 -8.707 -1.333 1.00 8.29 H new ATOM 0 HA LEU A 15 2.726 -9.067 -4.036 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.359 -6.408 -2.666 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.026 -6.585 -4.377 1.00 11.08 H new ATOM 0 HG LEU A 15 1.203 -7.460 -2.123 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.399 -5.750 -2.745 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.133 -5.096 -2.118 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.796 -5.055 -3.865 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.471 -7.786 -4.039 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.805 -7.311 -5.185 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.970 -8.810 -4.241 1.00 15.27 H new ATOM 256 N GLU A 16 5.208 -8.554 -4.909 1.00 11.04 N ATOM 257 CA GLU A 16 6.531 -8.374 -5.407 1.00 11.50 C ATOM 258 C GLU A 16 6.654 -6.937 -5.937 1.00 10.13 C ATOM 259 O GLU A 16 6.004 -6.549 -6.875 1.00 9.83 O ATOM 260 CB GLU A 16 6.720 -9.373 -6.548 1.00 17.22 C ATOM 261 CG GLU A 16 8.107 -9.412 -7.199 1.00 23.33 C ATOM 262 CD GLU A 16 9.228 -9.706 -6.285 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.334 -10.763 -5.572 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.199 -8.885 -6.266 1.00 28.90 O ATOM 0 H GLU A 16 4.549 -8.810 -5.644 1.00 11.04 H new ATOM 0 HA GLU A 16 7.284 -8.535 -4.636 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.492 -10.370 -6.170 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.986 -9.150 -7.322 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.098 -10.163 -7.989 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.293 -8.450 -7.676 1.00 23.33 H new ATOM 271 N VAL A 17 7.593 -6.179 -5.365 1.00 8.99 N ATOM 272 CA VAL A 17 7.886 -4.752 -5.570 1.00 8.85 C ATOM 273 C VAL A 17 9.394 -4.516 -5.677 1.00 8.04 C ATOM 274 O VAL A 17 10.215 -5.417 -5.572 1.00 8.99 O ATOM 275 CB VAL A 17 7.330 -3.878 -4.477 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.782 -3.865 -4.563 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.754 -4.361 -3.065 1.00 10.54 C ATOM 0 H VAL A 17 8.230 -6.585 -4.680 1.00 8.99 H new ATOM 0 HA VAL A 17 7.396 -4.476 -6.504 1.00 8.85 H new ATOM 0 HB VAL A 17 7.734 -2.876 -4.623 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.379 -3.233 -3.772 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.475 -3.473 -5.533 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.402 -4.880 -4.445 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.328 -3.699 -2.311 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.391 -5.376 -2.903 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.841 -4.348 -2.987 1.00 10.54 H new ATOM 287 N GLU A 18 9.809 -3.268 -5.914 1.00 7.29 N ATOM 288 CA GLU A 18 11.156 -2.804 -5.673 1.00 7.08 C ATOM 289 C GLU A 18 11.196 -1.477 -4.889 1.00 6.45 C ATOM 290 O GLU A 18 10.190 -0.785 -4.811 1.00 5.28 O ATOM 291 CB GLU A 18 11.963 -2.613 -7.060 1.00 10.28 C ATOM 292 CG GLU A 18 12.233 -3.864 -7.862 1.00 12.65 C ATOM 293 CD GLU A 18 12.849 -3.773 -9.232 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.234 -3.239 -10.198 1.00 14.33 O ATOM 295 OE2 GLU A 18 14.016 -4.273 -9.384 1.00 18.17 O ATOM 0 H GLU A 18 9.195 -2.545 -6.287 1.00 7.29 H new ATOM 0 HA GLU A 18 11.633 -3.575 -5.068 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.403 -1.920 -7.688 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.919 -2.139 -6.836 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.881 -4.499 -7.259 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.284 -4.389 -7.970 1.00 12.65 H new ATOM 302 N PRO A 19 12.314 -1.000 -4.274 1.00 7.24 N ATOM 303 CA PRO A 19 12.144 0.148 -3.365 1.00 7.07 C ATOM 304 C PRO A 19 11.820 1.490 -4.136 1.00 6.65 C ATOM 305 O PRO A 19 11.628 2.463 -3.387 1.00 6.37 O ATOM 306 CB PRO A 19 13.479 0.230 -2.682 1.00 7.61 C ATOM 307 CG PRO A 19 14.046 -1.202 -2.605 1.00 8.16 C ATOM 308 CD PRO A 19 13.416 -1.878 -3.895 1.00 7.49 C ATOM 0 HA PRO A 19 11.304 0.017 -2.683 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.155 0.881 -3.237 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.374 0.656 -1.684 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.136 -1.211 -2.631 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.745 -1.711 -1.690 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.150 -1.961 -4.697 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.063 -2.887 -3.681 1.00 7.49 H new ATOM 316 N SER A 20 11.932 1.573 -5.446 1.00 6.80 N ATOM 317 CA SER A 20 11.579 2.784 -6.224 1.00 6.28 C ATOM 318 C SER A 20 10.246 2.709 -6.850 1.00 8.45 C ATOM 319 O SER A 20 9.817 3.595 -7.583 1.00 7.26 O ATOM 320 CB SER A 20 12.672 3.103 -7.269 1.00 8.57 C ATOM 321 OG SER A 20 13.941 3.444 -6.641 1.00 11.13 O ATOM 0 H SER A 20 12.272 0.804 -6.023 1.00 6.80 H new ATOM 0 HA SER A 20 11.528 3.605 -5.509 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.811 2.243 -7.924 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.343 3.931 -7.897 1.00 8.57 H new ATOM 0 HG SER A 20 14.607 3.637 -7.333 1.00 11.13 H new ATOM 327 N ASP A 21 9.474 1.664 -6.539 1.00 7.50 N ATOM 328 CA ASP A 21 8.033 1.627 -6.900 1.00 7.70 C ATOM 329 C ASP A 21 7.182 2.517 -6.039 1.00 7.08 C ATOM 330 O ASP A 21 7.301 2.537 -4.792 1.00 8.11 O ATOM 331 CB ASP A 21 7.403 0.220 -6.899 1.00 11.00 C ATOM 332 CG ASP A 21 7.970 -0.592 -7.961 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.910 -0.155 -9.142 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.475 -1.701 -7.732 1.00 14.36 O ATOM 0 H ASP A 21 9.807 0.836 -6.044 1.00 7.50 H new ATOM 0 HA ASP A 21 8.040 1.998 -7.925 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.573 -0.260 -5.936 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.324 0.298 -7.030 1.00 11.00 H new ATOM 339 N THR A 22 6.170 3.216 -6.623 1.00 5.37 N ATOM 340 CA THR A 22 5.339 4.153 -5.973 1.00 6.01 C ATOM 341 C THR A 22 4.149 3.511 -5.153 1.00 8.01 C ATOM 342 O THR A 22 3.731 2.383 -5.441 1.00 8.11 O ATOM 343 CB THR A 22 4.632 5.204 -6.863 1.00 8.92 C ATOM 344 OG1 THR A 22 4.028 4.632 -7.965 1.00 10.22 O ATOM 345 CG2 THR A 22 5.753 6.168 -7.444 1.00 9.65 C ATOM 0 H THR A 22 5.936 3.104 -7.609 1.00 5.37 H new ATOM 0 HA THR A 22 6.093 4.628 -5.345 1.00 6.01 H new ATOM 0 HB THR A 22 3.882 5.707 -6.253 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.593 5.329 -8.498 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.290 6.924 -8.078 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.276 6.655 -6.621 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.464 5.587 -8.032 1.00 9.65 H new ATOM 353 N ILE A 23 3.547 4.202 -4.163 1.00 8.32 N ATOM 354 CA ILE A 23 2.370 3.723 -3.430 1.00 9.92 C ATOM 355 C ILE A 23 1.162 3.494 -4.381 1.00 10.01 C ATOM 356 O ILE A 23 0.446 2.531 -4.271 1.00 8.71 O ATOM 357 CB ILE A 23 2.062 4.707 -2.331 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.315 4.956 -1.454 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.858 4.305 -1.434 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.914 3.734 -0.829 1.00 12.30 C ATOM 0 H ILE A 23 3.872 5.117 -3.851 1.00 8.32 H new ATOM 0 HA ILE A 23 2.579 2.751 -2.984 1.00 9.92 H new ATOM 0 HB ILE A 23 1.770 5.627 -2.838 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.076 5.441 -2.066 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.050 5.656 -0.662 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.704 5.066 -0.669 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.039 4.219 -2.047 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.064 3.347 -0.956 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.784 4.017 -0.237 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.176 3.256 -0.184 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.218 3.038 -1.610 1.00 12.30 H new ATOM 372 N GLU A 24 0.986 4.345 -5.431 1.00 9.54 N ATOM 373 CA GLU A 24 0.061 4.131 -6.519 1.00 11.81 C ATOM 374 C GLU A 24 0.256 2.755 -7.251 1.00 11.14 C ATOM 375 O GLU A 24 -0.732 2.029 -7.438 1.00 10.62 O ATOM 376 CB GLU A 24 0.034 5.336 -7.474 1.00 19.24 C ATOM 377 CG GLU A 24 -1.034 5.488 -8.683 1.00 27.76 C ATOM 378 CD GLU A 24 -0.798 6.755 -9.430 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.292 7.056 -9.965 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.777 7.585 -9.512 1.00 34.80 O ATOM 0 H GLU A 24 1.511 5.215 -5.522 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.932 4.057 -6.076 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.080 6.222 -6.849 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.023 5.391 -7.928 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.949 4.638 -9.360 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.048 5.478 -8.284 1.00 27.76 H new ATOM 387 N ASN A 25 1.552 2.352 -7.548 1.00 9.43 N ATOM 388 CA ASN A 25 1.908 1.031 -8.041 1.00 10.96 C ATOM 389 C ASN A 25 1.487 -0.114 -7.107 1.00 9.68 C ATOM 390 O ASN A 25 0.919 -1.092 -7.558 1.00 9.33 O ATOM 391 CB ASN A 25 3.488 0.918 -8.188 1.00 16.78 C ATOM 392 CG ASN A 25 4.001 -0.286 -8.934 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.756 -1.061 -8.356 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.578 -0.593 -10.173 1.00 24.70 N ATOM 0 H ASN A 25 2.357 2.969 -7.438 1.00 9.43 H new ATOM 0 HA ASN A 25 1.381 0.929 -8.990 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.850 1.814 -8.692 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.926 0.915 -7.190 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.885 -1.458 -10.617 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.950 0.040 -10.669 1.00 24.70 H new ATOM 401 N VAL A 26 1.690 0.051 -5.815 1.00 6.52 N ATOM 402 CA VAL A 26 1.244 -1.011 -4.871 1.00 5.53 C ATOM 403 C VAL A 26 -0.266 -1.122 -4.903 1.00 4.42 C ATOM 404 O VAL A 26 -0.744 -2.258 -4.970 1.00 3.40 O ATOM 405 CB VAL A 26 1.723 -0.701 -3.429 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.509 -1.878 -2.531 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.282 -0.422 -3.392 1.00 8.12 C ATOM 0 H VAL A 26 2.137 0.862 -5.388 1.00 6.52 H new ATOM 0 HA VAL A 26 1.683 -1.959 -5.181 1.00 5.53 H new ATOM 0 HB VAL A 26 1.153 0.168 -3.101 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.853 -1.636 -1.525 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.448 -2.125 -2.502 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.070 -2.732 -2.910 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.589 -0.208 -2.368 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.817 -1.299 -3.755 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.514 0.433 -4.027 1.00 8.12 H new ATOM 417 N LYS A 27 -1.034 0.007 -4.813 1.00 2.64 N ATOM 418 CA LYS A 27 -2.525 -0.011 -4.869 1.00 4.14 C ATOM 419 C LYS A 27 -3.041 -0.628 -6.133 1.00 5.58 C ATOM 420 O LYS A 27 -4.099 -1.223 -6.138 1.00 4.11 O ATOM 421 CB LYS A 27 -3.121 1.415 -4.768 1.00 3.97 C ATOM 422 CG LYS A 27 -2.830 2.176 -3.424 1.00 7.45 C ATOM 423 CD LYS A 27 -3.376 3.605 -3.542 1.00 9.02 C ATOM 424 CE LYS A 27 -3.245 4.106 -2.069 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.607 5.525 -2.062 1.00 15.47 N ATOM 0 H LYS A 27 -0.640 0.941 -4.701 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.836 -0.612 -4.014 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.734 2.011 -5.594 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.201 1.349 -4.901 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.300 1.659 -2.587 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.759 2.196 -3.225 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.794 4.211 -4.236 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.408 3.623 -3.892 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.901 3.538 -1.409 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.227 3.966 -1.704 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.024 6.029 -1.363 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.443 5.930 -3.006 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.611 5.626 -1.812 1.00 15.47 H new ATOM 439 N ALA A 28 -2.409 -0.491 -7.291 1.00 6.61 N ATOM 440 CA ALA A 28 -2.763 -1.088 -8.605 1.00 7.74 C ATOM 441 C ALA A 28 -2.532 -2.598 -8.502 1.00 9.17 C ATOM 442 O ALA A 28 -3.288 -3.359 -9.092 1.00 11.45 O ATOM 443 CB ALA A 28 -1.889 -0.451 -9.763 1.00 7.68 C ATOM 0 H ALA A 28 -1.568 0.082 -7.359 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.806 -0.886 -8.850 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.164 -0.902 -10.716 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.068 0.623 -9.805 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.833 -0.636 -9.565 1.00 7.68 H new ATOM 449 N LYS A 29 -1.549 -3.126 -7.795 1.00 8.96 N ATOM 450 CA LYS A 29 -1.387 -4.589 -7.480 1.00 7.90 C ATOM 451 C LYS A 29 -2.474 -4.971 -6.483 1.00 6.92 C ATOM 452 O LYS A 29 -3.142 -5.996 -6.602 1.00 6.87 O ATOM 453 CB LYS A 29 -0.023 -4.930 -6.941 1.00 10.28 C ATOM 454 CG LYS A 29 1.085 -4.465 -7.941 1.00 14.94 C ATOM 455 CD LYS A 29 2.518 -4.855 -7.426 1.00 19.69 C ATOM 456 CE LYS A 29 3.612 -4.393 -8.341 1.00 22.63 C ATOM 457 NZ LYS A 29 3.506 -5.113 -9.613 1.00 24.98 N ATOM 0 H LYS A 29 -0.803 -2.555 -7.398 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.485 -5.158 -8.404 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.125 -4.449 -5.974 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.053 -6.005 -6.777 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.911 -4.918 -8.917 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.026 -3.385 -8.076 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.673 -4.425 -6.437 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.577 -5.938 -7.315 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.534 -3.319 -8.509 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.586 -4.575 -7.886 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.367 -4.955 -10.174 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.395 -6.130 -9.428 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.680 -4.765 -10.141 1.00 24.98 H new ATOM 471 N ILE A 30 -2.791 -4.160 -5.450 1.00 4.57 N ATOM 472 CA ILE A 30 -3.875 -4.468 -4.455 1.00 5.58 C ATOM 473 C ILE A 30 -5.250 -4.518 -5.060 1.00 7.26 C ATOM 474 O ILE A 30 -6.061 -5.365 -4.763 1.00 9.46 O ATOM 475 CB ILE A 30 -3.876 -3.487 -3.285 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.542 -3.522 -2.493 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.093 -3.585 -2.347 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.337 -2.325 -1.585 1.00 2.00 C ATOM 0 H ILE A 30 -2.314 -3.276 -5.272 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.637 -5.467 -4.089 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.970 -2.510 -3.759 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.511 -4.431 -1.893 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.713 -3.577 -3.198 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.998 -2.847 -1.550 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.005 -3.393 -2.913 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.139 -4.584 -1.913 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.384 -2.421 -1.066 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.335 -1.412 -2.181 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.145 -2.280 -0.855 1.00 2.00 H new ATOM 490 N GLN A 31 -5.482 -3.676 -6.066 1.00 7.06 N ATOM 491 CA GLN A 31 -6.638 -3.747 -6.965 1.00 8.67 C ATOM 492 C GLN A 31 -6.642 -5.011 -7.773 1.00 10.90 C ATOM 493 O GLN A 31 -7.636 -5.726 -7.833 1.00 9.63 O ATOM 494 CB GLN A 31 -6.758 -2.511 -7.871 1.00 9.12 C ATOM 495 CG GLN A 31 -8.058 -2.410 -8.698 1.00 10.76 C ATOM 496 CD GLN A 31 -8.105 -1.093 -9.454 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.949 -0.240 -9.266 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.113 -0.870 -10.340 1.00 14.76 N ATOM 0 H GLN A 31 -4.854 -2.903 -6.286 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.519 -3.759 -6.324 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.674 -1.619 -7.250 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.911 -2.503 -8.557 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.115 -3.242 -9.400 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.923 -2.489 -8.039 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.402 -1.584 -10.500 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.073 0.013 -10.850 1.00 14.76 H new ATOM 507 N ASP A 32 -5.468 -5.418 -8.277 1.00 10.93 N ATOM 508 CA ASP A 32 -5.308 -6.650 -9.001 1.00 14.01 C ATOM 509 C ASP A 32 -5.553 -7.985 -8.125 1.00 14.04 C ATOM 510 O ASP A 32 -6.015 -9.003 -8.533 1.00 13.39 O ATOM 511 CB ASP A 32 -3.932 -6.608 -9.747 1.00 18.01 C ATOM 512 CG ASP A 32 -3.936 -7.533 -10.936 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.915 -7.483 -11.721 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.940 -8.329 -11.136 1.00 25.17 O ATOM 0 H ASP A 32 -4.605 -4.883 -8.183 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.107 -6.724 -9.739 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.722 -5.590 -10.074 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.134 -6.893 -9.062 1.00 18.01 H new ATOM 519 N LYS A 33 -5.094 -7.971 -6.822 1.00 14.22 N ATOM 520 CA LYS A 33 -5.581 -9.058 -5.943 1.00 14.00 C ATOM 521 C LYS A 33 -7.013 -9.032 -5.527 1.00 12.37 C ATOM 522 O LYS A 33 -7.812 -9.952 -5.744 1.00 12.17 O ATOM 523 CB LYS A 33 -4.758 -8.990 -4.677 1.00 18.62 C ATOM 524 CG LYS A 33 -3.234 -9.132 -4.886 1.00 24.00 C ATOM 525 CD LYS A 33 -2.700 -10.321 -5.724 1.00 27.61 C ATOM 526 CE LYS A 33 -1.285 -10.875 -5.317 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.940 -12.082 -6.120 1.00 30.06 N ATOM 0 H LYS A 33 -4.457 -7.291 -6.407 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.482 -9.966 -6.538 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.956 -8.039 -4.183 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.092 -9.776 -4.000 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.879 -8.214 -5.353 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.770 -9.189 -3.901 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.420 -11.137 -5.659 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.660 -10.014 -6.769 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.530 -10.104 -5.468 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.278 -11.124 -4.256 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.003 -12.432 -5.836 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.651 -12.823 -5.955 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.926 -11.835 -7.130 1.00 30.06 H new ATOM 541 N GLU A 34 -7.477 -7.938 -4.939 1.00 10.11 N ATOM 542 CA GLU A 34 -8.665 -7.896 -4.079 1.00 10.07 C ATOM 543 C GLU A 34 -9.678 -6.846 -4.491 1.00 9.32 C ATOM 544 O GLU A 34 -10.692 -6.538 -3.883 1.00 11.61 O ATOM 545 CB GLU A 34 -8.168 -7.574 -2.580 1.00 14.77 C ATOM 546 CG GLU A 34 -7.716 -8.873 -1.826 1.00 18.75 C ATOM 547 CD GLU A 34 -8.979 -9.600 -1.429 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.803 -9.019 -0.635 1.00 25.19 O ATOM 549 OE2 GLU A 34 -9.166 -10.822 -1.767 1.00 21.95 O ATOM 0 H GLU A 34 -7.030 -7.028 -5.046 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.167 -8.860 -4.160 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.339 -6.867 -2.616 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.974 -7.093 -2.025 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -7.094 -9.497 -2.468 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.119 -8.624 -0.948 1.00 18.75 H new ATOM 556 N GLY A 35 -9.489 -6.238 -5.654 1.00 7.22 N ATOM 557 CA GLY A 35 -10.519 -5.521 -6.405 1.00 6.29 C ATOM 558 C GLY A 35 -10.786 -4.061 -6.012 1.00 6.93 C ATOM 559 O GLY A 35 -11.607 -3.347 -6.545 1.00 7.41 O ATOM 0 H GLY A 35 -8.582 -6.228 -6.120 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.244 -5.542 -7.460 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.454 -6.073 -6.308 1.00 6.29 H new ATOM 563 N ILE A 36 -10.110 -3.541 -4.968 1.00 5.86 N ATOM 564 CA ILE A 36 -10.415 -2.316 -4.345 1.00 6.07 C ATOM 565 C ILE A 36 -9.876 -1.114 -5.140 1.00 6.36 C ATOM 566 O ILE A 36 -8.683 -1.033 -5.406 1.00 6.18 O ATOM 567 CB ILE A 36 -9.779 -2.208 -2.987 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.983 -3.393 -2.064 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.403 -0.917 -2.333 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.887 -3.702 -1.073 1.00 9.49 C ATOM 0 H ILE A 36 -9.310 -4.013 -4.547 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.503 -2.297 -4.283 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.698 -2.169 -3.124 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.905 -3.230 -1.506 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.137 -4.278 -2.682 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.984 -0.775 -1.337 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.173 -0.049 -2.951 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.484 -1.033 -2.258 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.167 -4.573 -0.480 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.961 -3.911 -1.608 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.740 -2.846 -0.414 1.00 9.49 H new ATOM 582 N PRO A 37 -10.719 -0.098 -5.453 1.00 8.65 N ATOM 583 CA PRO A 37 -10.225 1.108 -6.136 1.00 9.18 C ATOM 584 C PRO A 37 -9.176 1.824 -5.418 1.00 9.85 C ATOM 585 O PRO A 37 -9.387 2.081 -4.275 1.00 8.51 O ATOM 586 CB PRO A 37 -11.466 1.927 -6.237 1.00 11.42 C ATOM 587 CG PRO A 37 -12.678 0.970 -6.312 1.00 9.27 C ATOM 588 CD PRO A 37 -12.198 -0.112 -5.364 1.00 8.33 C ATOM 0 HA PRO A 37 -9.745 0.872 -7.086 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.556 2.586 -5.374 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.430 2.563 -7.122 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.604 1.439 -5.979 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.855 0.596 -7.320 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.530 0.085 -4.345 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.598 -1.086 -5.647 1.00 8.33 H new ATOM 596 N PRO A 38 -8.047 2.302 -5.958 1.00 8.71 N ATOM 597 CA PRO A 38 -7.010 3.041 -5.236 1.00 9.08 C ATOM 598 C PRO A 38 -7.536 4.323 -4.478 1.00 9.28 C ATOM 599 O PRO A 38 -6.849 4.842 -3.616 1.00 6.50 O ATOM 600 CB PRO A 38 -5.975 3.313 -6.324 1.00 10.31 C ATOM 601 CG PRO A 38 -6.100 2.157 -7.309 1.00 10.81 C ATOM 602 CD PRO A 38 -7.618 1.816 -7.247 1.00 12.00 C ATOM 0 HA PRO A 38 -6.591 2.482 -4.399 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.164 4.268 -6.815 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.970 3.364 -5.905 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.791 2.446 -8.313 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.482 1.308 -7.017 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.166 2.299 -8.056 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.788 0.744 -7.343 1.00 12.00 H new ATOM 610 N ASP A 39 -8.714 4.835 -4.863 1.00 11.20 N ATOM 611 CA ASP A 39 -9.222 6.042 -4.191 1.00 14.96 C ATOM 612 C ASP A 39 -9.998 5.675 -2.950 1.00 13.99 C ATOM 613 O ASP A 39 -10.290 6.479 -2.079 1.00 13.75 O ATOM 614 CB ASP A 39 -10.122 6.860 -5.133 1.00 24.16 C ATOM 615 CG ASP A 39 -9.253 7.296 -6.321 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.205 7.865 -6.003 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.570 7.070 -7.529 1.00 35.55 O ATOM 0 H ASP A 39 -9.309 4.456 -5.600 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.361 6.649 -3.910 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.968 6.262 -5.473 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.532 7.728 -4.617 1.00 24.16 H new ATOM 622 N GLN A 40 -10.379 4.377 -2.857 1.00 11.60 N ATOM 623 CA GLN A 40 -10.956 3.790 -1.645 1.00 10.76 C ATOM 624 C GLN A 40 -9.880 3.250 -0.721 1.00 8.01 C ATOM 625 O GLN A 40 -10.005 3.057 0.498 1.00 8.96 O ATOM 626 CB GLN A 40 -11.867 2.574 -1.933 1.00 11.14 C ATOM 627 CG GLN A 40 -12.828 2.204 -0.772 1.00 14.85 C ATOM 628 CD GLN A 40 -13.879 1.229 -1.235 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.966 0.061 -0.863 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.835 1.734 -2.050 1.00 18.16 N ATOM 0 H GLN A 40 -10.290 3.715 -3.628 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.522 4.607 -1.199 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.458 2.781 -2.825 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.240 1.711 -2.159 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.260 1.770 0.051 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.306 3.106 -0.389 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.776 2.702 -2.367 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.614 1.147 -2.347 1.00 18.16 H new ATOM 639 N GLN A 41 -8.678 3.094 -1.295 1.00 6.52 N ATOM 640 CA GLN A 41 -7.571 2.464 -0.600 1.00 3.87 C ATOM 641 C GLN A 41 -6.670 3.491 0.109 1.00 4.79 C ATOM 642 O GLN A 41 -6.155 4.508 -0.459 1.00 6.34 O ATOM 643 CB GLN A 41 -6.562 1.658 -1.530 1.00 4.20 C ATOM 644 CG GLN A 41 -7.123 0.368 -2.058 1.00 3.20 C ATOM 645 CD GLN A 41 -5.984 -0.363 -2.794 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.870 -0.415 -2.229 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.206 -0.858 -4.009 1.00 7.13 N ATOM 0 H GLN A 41 -8.458 3.400 -2.243 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.088 1.790 0.083 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.274 2.289 -2.371 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.654 1.445 -0.966 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.509 -0.245 -1.243 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.956 0.560 -2.734 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.135 -0.790 -4.426 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.448 -1.306 -4.524 1.00 7.13 H new ATOM 656 N ARG A 42 -6.394 3.373 1.393 1.00 5.73 N ATOM 657 CA ARG A 42 -5.407 4.141 2.180 1.00 6.97 C ATOM 658 C ARG A 42 -4.194 3.224 2.646 1.00 7.15 C ATOM 659 O ARG A 42 -4.421 2.202 3.325 1.00 7.33 O ATOM 660 CB ARG A 42 -6.131 4.786 3.387 1.00 13.23 C ATOM 661 CG ARG A 42 -7.137 5.778 2.892 1.00 21.27 C ATOM 662 CD ARG A 42 -7.823 6.574 4.005 1.00 26.14 C ATOM 663 NE ARG A 42 -8.497 7.804 3.383 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.211 8.653 4.124 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.902 8.240 5.199 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.211 9.927 3.816 1.00 36.39 N ATOM 0 H ARG A 42 -6.883 2.690 1.971 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.977 4.925 1.557 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.624 4.018 3.982 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.408 5.278 4.038 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.643 6.473 2.213 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.897 5.252 2.313 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.562 5.954 4.513 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.094 6.881 4.755 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.397 7.976 2.383 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.889 7.256 5.466 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.440 8.911 5.748 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.669 10.259 3.018 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.753 10.587 4.374 1.00 36.39 H new ATOM 680 N LEU A 43 -2.974 3.569 2.332 1.00 4.65 N ATOM 681 CA LEU A 43 -1.803 2.752 2.731 1.00 3.51 C ATOM 682 C LEU A 43 -1.070 3.498 3.829 1.00 5.56 C ATOM 683 O LEU A 43 -0.841 4.700 3.785 1.00 4.19 O ATOM 684 CB LEU A 43 -0.888 2.341 1.493 1.00 3.74 C ATOM 685 CG LEU A 43 -1.587 1.321 0.580 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.611 0.939 -0.540 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.839 -0.001 1.324 1.00 6.41 C ATOM 0 H LEU A 43 -2.740 4.408 1.801 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.131 1.790 3.125 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.635 3.231 0.917 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.049 1.920 1.858 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.518 1.768 0.231 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.084 0.215 -1.203 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.342 1.830 -1.108 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.288 0.501 -0.106 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.335 -0.706 0.656 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.888 -0.420 1.653 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.473 0.185 2.191 1.00 6.41 H new ATOM 699 N ILE A 44 -0.875 2.809 4.985 1.00 4.58 N ATOM 700 CA ILE A 44 -0.302 3.342 6.261 1.00 5.55 C ATOM 701 C ILE A 44 0.940 2.582 6.810 1.00 5.46 C ATOM 702 O ILE A 44 0.863 1.372 6.851 1.00 6.04 O ATOM 703 CB ILE A 44 -1.389 3.466 7.298 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.471 4.500 6.793 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.821 3.878 8.659 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.677 4.640 7.739 1.00 13.90 C ATOM 0 H ILE A 44 -1.122 1.822 5.061 1.00 4.58 H new ATOM 0 HA ILE A 44 0.094 4.328 6.017 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.860 2.493 7.435 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.000 5.475 6.671 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.825 4.192 5.809 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.632 3.958 9.383 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.106 3.128 8.997 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.320 4.842 8.568 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.379 5.366 7.329 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -4.173 3.675 7.842 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.335 4.979 8.717 1.00 13.90 H new ATOM 718 N PHE A 45 2.013 3.252 7.204 1.00 6.75 N ATOM 719 CA PHE A 45 3.155 2.583 7.896 1.00 4.70 C ATOM 720 C PHE A 45 3.910 3.714 8.677 1.00 6.34 C ATOM 721 O PHE A 45 3.853 4.891 8.294 1.00 5.45 O ATOM 722 CB PHE A 45 4.069 1.944 6.777 1.00 5.51 C ATOM 723 CG PHE A 45 5.397 1.504 7.340 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.572 0.356 8.131 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.466 2.233 7.064 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.837 0.030 8.625 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.731 1.955 7.545 1.00 6.64 C ATOM 728 CZ PHE A 45 7.951 0.835 8.332 1.00 6.84 C ATOM 0 H PHE A 45 2.137 4.255 7.067 1.00 6.75 H new ATOM 0 HA PHE A 45 2.852 1.797 8.588 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.559 1.090 6.332 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.232 2.669 5.979 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.726 -0.276 8.358 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.343 3.095 6.426 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.960 -0.850 9.239 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.553 2.614 7.307 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.935 0.592 8.704 1.00 6.84 H new ATOM 738 N ALA A 46 4.635 3.340 9.742 1.00 6.53 N ATOM 739 CA ALA A 46 5.496 4.239 10.532 1.00 7.15 C ATOM 740 C ALA A 46 4.825 5.480 11.203 1.00 9.00 C ATOM 741 O ALA A 46 5.408 6.541 11.387 1.00 11.15 O ATOM 742 CB ALA A 46 6.616 4.778 9.690 1.00 8.99 C ATOM 0 H ALA A 46 4.640 2.380 10.088 1.00 6.53 H new ATOM 0 HA ALA A 46 5.820 3.581 11.339 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.239 5.439 10.293 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.220 3.952 9.316 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.203 5.335 8.849 1.00 8.99 H new ATOM 748 N GLY A 47 3.505 5.354 11.538 1.00 9.35 N ATOM 749 CA GLY A 47 2.693 6.423 12.070 1.00 11.68 C ATOM 750 C GLY A 47 2.218 7.473 11.008 1.00 11.14 C ATOM 751 O GLY A 47 1.751 8.534 11.377 1.00 13.93 O ATOM 0 H GLY A 47 2.994 4.478 11.433 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.816 5.990 12.551 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.259 6.940 12.845 1.00 11.68 H new ATOM 755 N LYS A 48 2.371 7.023 9.733 1.00 10.47 N ATOM 756 CA LYS A 48 2.171 7.904 8.621 1.00 8.82 C ATOM 757 C LYS A 48 1.253 7.332 7.538 1.00 7.68 C ATOM 758 O LYS A 48 1.330 6.160 7.164 1.00 6.47 O ATOM 759 CB LYS A 48 3.556 8.213 7.985 1.00 9.74 C ATOM 760 CG LYS A 48 3.621 9.468 7.168 1.00 14.14 C ATOM 761 CD LYS A 48 5.002 9.781 6.616 1.00 16.32 C ATOM 762 CE LYS A 48 5.953 10.324 7.638 1.00 20.04 C ATOM 763 NZ LYS A 48 7.192 10.800 6.934 1.00 23.92 N ATOM 0 H LYS A 48 2.628 6.068 9.484 1.00 10.47 H new ATOM 0 HA LYS A 48 1.683 8.799 9.007 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.297 8.279 8.782 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.843 7.373 7.353 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.920 9.384 6.337 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.289 10.305 7.782 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.425 8.873 6.186 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.904 10.503 5.805 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.491 11.145 8.187 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.204 9.554 8.368 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.863 11.180 7.631 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.632 10.004 6.429 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.940 11.545 6.254 1.00 23.92 H new ATOM 777 N GLN A 49 0.349 8.137 6.934 1.00 8.89 N ATOM 778 CA GLN A 49 -0.386 7.771 5.771 1.00 7.18 C ATOM 779 C GLN A 49 0.420 8.107 4.501 1.00 8.23 C ATOM 780 O GLN A 49 0.855 9.173 4.253 1.00 9.70 O ATOM 781 CB GLN A 49 -1.813 8.418 5.583 1.00 11.67 C ATOM 782 CG GLN A 49 -2.538 7.891 4.359 1.00 15.82 C ATOM 783 CD GLN A 49 -3.970 8.290 4.279 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.742 7.908 5.151 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.367 9.099 3.303 1.00 20.67 N ATOM 0 H GLN A 49 0.129 9.073 7.274 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.549 6.704 5.923 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.416 8.222 6.470 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.709 9.500 5.501 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.023 8.245 3.466 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.475 6.803 4.354 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.703 9.402 2.590 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.335 9.418 3.267 1.00 20.67 H new ATOM 794 N LEU A 50 0.631 7.074 3.617 1.00 6.51 N ATOM 795 CA LEU A 50 1.532 7.231 2.477 1.00 7.41 C ATOM 796 C LEU A 50 0.859 7.870 1.311 1.00 8.27 C ATOM 797 O LEU A 50 -0.346 7.775 1.066 1.00 8.34 O ATOM 798 CB LEU A 50 2.025 5.797 2.049 1.00 7.13 C ATOM 799 CG LEU A 50 2.567 4.915 3.176 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.468 3.862 2.606 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.444 5.681 4.221 1.00 9.11 C ATOM 0 H LEU A 50 0.191 6.157 3.689 1.00 6.51 H new ATOM 0 HA LEU A 50 2.358 7.875 2.777 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.195 5.275 1.572 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.805 5.911 1.296 1.00 7.13 H new ATOM 0 HG LEU A 50 1.680 4.516 3.669 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.852 3.236 3.412 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.908 3.245 1.903 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.301 4.337 2.088 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.789 4.985 4.986 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.304 6.124 3.719 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.851 6.468 4.687 1.00 9.11 H new ATOM 813 N GLU A 51 1.619 8.596 0.455 1.00 9.43 N ATOM 814 CA GLU A 51 1.181 9.402 -0.716 1.00 11.90 C ATOM 815 C GLU A 51 1.422 8.676 -1.958 1.00 11.49 C ATOM 816 O GLU A 51 2.491 8.132 -2.242 1.00 9.88 O ATOM 817 CB GLU A 51 1.986 10.756 -0.799 1.00 16.56 C ATOM 818 CG GLU A 51 1.618 11.701 0.378 1.00 26.06 C ATOM 819 CD GLU A 51 2.470 12.927 0.399 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.308 13.875 -0.479 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.311 13.135 1.314 1.00 33.44 O ATOM 0 H GLU A 51 2.631 8.638 0.572 1.00 9.43 H new ATOM 0 HA GLU A 51 0.117 9.601 -0.588 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.056 10.548 -0.781 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.773 11.251 -1.747 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.570 11.989 0.297 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.730 11.166 1.321 1.00 26.06 H new ATOM 828 N ASP A 52 0.410 8.753 -2.815 1.00 12.71 N ATOM 829 CA ASP A 52 0.313 8.044 -4.046 1.00 16.56 C ATOM 830 C ASP A 52 1.575 8.212 -4.948 1.00 15.83 C ATOM 831 O ASP A 52 2.182 7.244 -5.450 1.00 17.21 O ATOM 832 CB ASP A 52 -0.956 8.565 -4.787 1.00 21.05 C ATOM 833 CG ASP A 52 -2.210 8.109 -4.115 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.437 6.906 -3.914 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.116 8.961 -3.872 1.00 25.82 O ATOM 0 H ASP A 52 -0.399 9.350 -2.642 1.00 12.71 H new ATOM 0 HA ASP A 52 0.241 6.978 -3.832 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.936 9.654 -4.822 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.946 8.213 -5.818 1.00 21.05 H new ATOM 840 N GLY A 53 2.047 9.434 -5.147 1.00 15.00 N ATOM 841 CA GLY A 53 3.253 9.534 -5.959 1.00 11.77 C ATOM 842 C GLY A 53 4.557 9.549 -5.188 1.00 11.10 C ATOM 843 O GLY A 53 5.503 10.165 -5.704 1.00 11.25 O ATOM 0 H GLY A 53 1.654 10.306 -4.792 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.272 8.696 -6.655 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.194 10.444 -6.557 1.00 11.77 H new ATOM 847 N ARG A 54 4.779 8.863 -4.097 1.00 8.53 N ATOM 848 CA ARG A 54 6.033 8.778 -3.413 1.00 9.05 C ATOM 849 C ARG A 54 6.174 7.261 -3.343 1.00 8.96 C ATOM 850 O ARG A 54 5.323 6.442 -3.699 1.00 11.60 O ATOM 851 CB ARG A 54 6.012 9.353 -2.011 1.00 7.97 C ATOM 852 CG ARG A 54 5.727 10.848 -1.983 1.00 9.62 C ATOM 853 CD ARG A 54 6.910 11.642 -2.372 1.00 12.20 C ATOM 854 NE ARG A 54 6.480 13.006 -2.545 1.00 18.23 N ATOM 855 CZ ARG A 54 7.171 13.868 -3.259 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.347 13.625 -3.895 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.588 15.076 -3.403 1.00 23.38 N ATOM 0 H ARG A 54 4.046 8.320 -3.641 1.00 8.53 H new ATOM 0 HA ARG A 54 6.831 9.334 -3.906 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.255 8.834 -1.423 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.973 9.163 -1.532 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.901 11.073 -2.658 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.408 11.138 -0.982 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.683 11.578 -1.606 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.343 11.257 -3.295 1.00 12.20 H new ATOM 0 HE ARG A 54 5.614 13.312 -2.101 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.774 12.700 -3.842 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.803 14.368 -4.425 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.681 15.259 -2.973 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.054 15.806 -3.942 1.00 23.38 H new ATOM 871 N THR A 55 7.441 6.859 -3.178 1.00 9.05 N ATOM 872 CA THR A 55 7.945 5.511 -3.368 1.00 9.03 C ATOM 873 C THR A 55 8.059 4.746 -2.058 1.00 8.15 C ATOM 874 O THR A 55 7.927 5.315 -0.967 1.00 5.91 O ATOM 875 CB THR A 55 9.308 5.420 -3.995 1.00 11.15 C ATOM 876 OG1 THR A 55 10.297 6.114 -3.251 1.00 11.95 O ATOM 877 CG2 THR A 55 9.163 5.967 -5.456 1.00 11.71 C ATOM 0 H THR A 55 8.174 7.508 -2.893 1.00 9.05 H new ATOM 0 HA THR A 55 7.202 5.083 -4.041 1.00 9.03 H new ATOM 0 HB THR A 55 9.656 4.387 -4.005 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.976 7.016 -3.041 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.129 5.923 -5.959 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.442 5.359 -6.002 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.817 7.000 -5.425 1.00 11.71 H new ATOM 885 N LEU A 56 8.431 3.467 -2.107 1.00 6.91 N ATOM 886 CA LEU A 56 8.661 2.678 -0.869 1.00 8.29 C ATOM 887 C LEU A 56 9.894 3.131 0.007 1.00 8.05 C ATOM 888 O LEU A 56 9.931 3.077 1.223 1.00 10.17 O ATOM 889 CB LEU A 56 8.801 1.231 -1.233 1.00 6.60 C ATOM 890 CG LEU A 56 7.533 0.520 -1.860 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.772 -0.861 -2.313 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.292 0.648 -0.937 1.00 8.64 C ATOM 0 H LEU A 56 8.581 2.949 -2.973 1.00 6.91 H new ATOM 0 HA LEU A 56 7.790 2.857 -0.238 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.625 1.138 -1.940 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.087 0.682 -0.336 1.00 6.60 H new ATOM 0 HG LEU A 56 7.313 1.065 -2.778 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.852 -1.272 -2.728 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.548 -0.864 -3.078 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.093 -1.471 -1.468 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.441 0.148 -1.400 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.505 0.184 0.026 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.057 1.702 -0.788 1.00 8.64 H new ATOM 904 N SER A 57 10.947 3.579 -0.698 1.00 8.92 N ATOM 905 CA SER A 57 12.209 4.037 -0.227 1.00 9.00 C ATOM 906 C SER A 57 12.107 5.381 0.517 1.00 9.44 C ATOM 907 O SER A 57 12.765 5.583 1.510 1.00 10.91 O ATOM 908 CB SER A 57 13.337 4.124 -1.266 1.00 10.32 C ATOM 909 OG SER A 57 14.576 4.316 -0.700 1.00 13.59 O ATOM 0 H SER A 57 10.901 3.622 -1.716 1.00 8.92 H new ATOM 0 HA SER A 57 12.496 3.241 0.460 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.351 3.208 -1.856 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.127 4.943 -1.954 1.00 10.32 H new ATOM 0 HG SER A 57 15.254 4.362 -1.406 1.00 13.59 H new ATOM 915 N ASP A 58 11.158 6.274 0.124 1.00 9.11 N ATOM 916 CA ASP A 58 10.939 7.542 0.868 1.00 7.91 C ATOM 917 C ASP A 58 10.351 7.236 2.286 1.00 9.12 C ATOM 918 O ASP A 58 10.562 8.006 3.195 1.00 8.61 O ATOM 919 CB ASP A 58 9.869 8.375 0.144 1.00 8.41 C ATOM 920 CG ASP A 58 10.283 8.713 -1.274 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.329 9.451 -1.441 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.467 8.500 -2.224 1.00 11.70 O ATOM 0 H ASP A 58 10.548 6.144 -0.683 1.00 9.11 H new ATOM 0 HA ASP A 58 11.893 8.065 0.936 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.929 7.823 0.126 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.688 9.295 0.699 1.00 8.41 H new ATOM 927 N TYR A 59 9.705 6.069 2.415 1.00 7.97 N ATOM 928 CA TYR A 59 9.060 5.757 3.733 1.00 8.45 C ATOM 929 C TYR A 59 9.784 4.635 4.419 1.00 10.98 C ATOM 930 O TYR A 59 9.277 4.121 5.405 1.00 12.95 O ATOM 931 CB TYR A 59 7.598 5.395 3.548 1.00 7.94 C ATOM 932 CG TYR A 59 6.907 6.563 2.940 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.597 7.669 3.747 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.297 6.442 1.659 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.753 8.629 3.215 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.538 7.471 1.132 1.00 6.52 C ATOM 937 CZ TYR A 59 5.208 8.539 1.944 1.00 6.76 C ATOM 938 OH TYR A 59 4.449 9.614 1.417 1.00 7.63 O ATOM 0 H TYR A 59 9.608 5.359 1.689 1.00 7.97 H new ATOM 0 HA TYR A 59 9.119 6.649 4.356 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.501 4.519 2.907 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.145 5.141 4.506 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.001 7.767 4.744 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.429 5.533 1.091 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.508 9.490 3.820 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.209 7.440 0.104 1.00 6.52 H new ATOM 0 HH TYR A 59 5.054 10.308 1.081 1.00 7.63 H new ATOM 948 N ASN A 60 10.972 4.235 3.962 1.00 12.38 N ATOM 949 CA ASN A 60 11.896 3.242 4.625 1.00 13.94 C ATOM 950 C ASN A 60 11.245 1.883 4.749 1.00 14.16 C ATOM 951 O ASN A 60 11.160 1.198 5.778 1.00 14.26 O ATOM 952 CB ASN A 60 12.416 3.669 6.084 1.00 19.23 C ATOM 953 CG ASN A 60 13.068 5.004 6.006 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.719 5.361 5.045 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.983 5.822 7.061 1.00 24.09 N ATOM 0 H ASN A 60 11.355 4.593 3.087 1.00 12.38 H new ATOM 0 HA ASN A 60 12.761 3.212 3.962 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.582 3.700 6.785 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.122 2.929 6.461 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.459 6.724 7.047 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.442 5.544 7.880 1.00 24.09 H new ATOM 962 N ILE A 61 10.645 1.298 3.650 1.00 11.08 N ATOM 963 CA ILE A 61 9.941 0.060 3.731 1.00 11.78 C ATOM 964 C ILE A 61 10.908 -1.070 3.305 1.00 13.74 C ATOM 965 O ILE A 61 11.398 -1.095 2.183 1.00 14.60 O ATOM 966 CB ILE A 61 8.662 0.211 2.902 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.694 1.214 3.567 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.063 -1.196 2.621 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.521 1.696 2.675 1.00 11.42 C ATOM 0 H ILE A 61 10.663 1.705 2.715 1.00 11.08 H new ATOM 0 HA ILE A 61 9.615 -0.211 4.735 1.00 11.78 H new ATOM 0 HB ILE A 61 8.880 0.647 1.927 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.281 0.754 4.464 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.265 2.085 3.889 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.152 -1.093 2.031 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.787 -1.796 2.069 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.830 -1.687 3.566 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.902 2.396 3.236 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.918 2.191 1.789 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.918 0.840 2.373 1.00 11.42 H new ATOM 981 N GLN A 62 11.263 -2.044 4.161 1.00 13.97 N ATOM 982 CA GLN A 62 12.211 -3.080 3.983 1.00 15.52 C ATOM 983 C GLN A 62 11.683 -4.279 3.394 1.00 13.94 C ATOM 984 O GLN A 62 10.468 -4.453 3.262 1.00 12.15 O ATOM 985 CB GLN A 62 12.903 -3.368 5.356 1.00 19.53 C ATOM 986 CG GLN A 62 13.814 -2.128 5.675 1.00 26.38 C ATOM 987 CD GLN A 62 14.594 -2.361 6.937 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.139 -3.345 7.756 1.00 33.23 O flip ATOM 989 NE2 GLN A 62 15.639 -1.753 7.267 1.00 32.71 N flip ATOM 0 H GLN A 62 10.828 -2.102 5.082 1.00 13.97 H new ATOM 0 HA GLN A 62 12.941 -2.728 3.255 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.160 -3.514 6.140 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.497 -4.281 5.306 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.498 -1.948 4.845 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.199 -1.234 5.780 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.006 -1.009 6.673 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.123 -2.002 8.130 1.00 32.71 H new ATOM 998 N LYS A 63 12.574 -5.211 3.036 1.00 11.73 N ATOM 999 CA LYS A 63 12.285 -6.535 2.461 1.00 11.97 C ATOM 1000 C LYS A 63 11.434 -7.317 3.496 1.00 10.41 C ATOM 1001 O LYS A 63 11.805 -7.327 4.690 1.00 9.59 O ATOM 1002 CB LYS A 63 13.560 -7.274 2.138 1.00 13.73 C ATOM 1003 CG LYS A 63 13.522 -8.773 1.957 1.00 16.98 C ATOM 1004 CD LYS A 63 14.908 -9.295 1.411 1.00 20.19 C ATOM 1005 CE LYS A 63 14.938 -10.814 1.345 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.873 -11.424 2.656 1.00 25.97 N ATOM 0 H LYS A 63 13.576 -5.054 3.145 1.00 11.73 H new ATOM 0 HA LYS A 63 11.738 -6.430 1.524 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.964 -6.844 1.222 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.274 -7.058 2.933 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.293 -9.255 2.907 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.726 -9.042 1.263 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.089 -8.882 0.419 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.712 -8.941 2.056 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.101 -11.165 0.742 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.850 -11.135 0.842 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.213 -12.405 2.600 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.470 -10.888 3.318 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.889 -11.417 2.994 1.00 25.97 H new ATOM 1020 N GLU A 64 10.346 -7.928 3.067 1.00 10.04 N ATOM 1021 CA GLU A 64 9.459 -8.723 3.929 1.00 10.94 C ATOM 1022 C GLU A 64 8.917 -7.958 5.070 1.00 9.74 C ATOM 1023 O GLU A 64 8.701 -8.462 6.204 1.00 9.42 O ATOM 1024 CB GLU A 64 10.007 -10.077 4.403 1.00 18.31 C ATOM 1025 CG GLU A 64 10.595 -10.893 3.201 1.00 24.16 C ATOM 1026 CD GLU A 64 11.619 -11.954 3.658 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.704 -11.539 4.109 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.301 -13.160 3.453 1.00 32.61 O ATOM 0 H GLU A 64 10.039 -7.892 2.095 1.00 10.04 H new ATOM 0 HA GLU A 64 8.643 -8.966 3.248 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.781 -9.918 5.153 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.212 -10.649 4.882 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.782 -11.383 2.665 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.072 -10.209 2.499 1.00 24.16 H new ATOM 1035 N SER A 65 8.555 -6.695 4.852 1.00 6.85 N ATOM 1036 CA SER A 65 8.040 -5.828 5.838 1.00 6.90 C ATOM 1037 C SER A 65 6.579 -5.510 5.670 1.00 4.72 C ATOM 1038 O SER A 65 5.983 -5.586 4.600 1.00 3.91 O ATOM 1039 CB SER A 65 8.753 -4.395 5.919 1.00 7.28 C ATOM 1040 OG SER A 65 8.531 -3.850 7.186 1.00 10.56 O ATOM 0 H SER A 65 8.627 -6.256 3.934 1.00 6.85 H new ATOM 0 HA SER A 65 8.231 -6.410 6.740 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.822 -4.495 5.734 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.357 -3.733 5.149 1.00 7.28 H new ATOM 0 HG SER A 65 8.965 -2.973 7.246 1.00 10.56 H new ATOM 1046 N THR A 66 5.886 -5.295 6.855 1.00 4.48 N ATOM 1047 CA THR A 66 4.451 -5.034 6.904 1.00 3.80 C ATOM 1048 C THR A 66 4.095 -3.639 6.527 1.00 4.60 C ATOM 1049 O THR A 66 4.770 -2.677 6.933 1.00 5.33 O ATOM 1050 CB THR A 66 3.921 -5.384 8.288 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.189 -6.700 8.740 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.386 -5.322 8.246 1.00 3.40 C ATOM 0 H THR A 66 6.332 -5.305 7.772 1.00 4.48 H new ATOM 0 HA THR A 66 3.975 -5.669 6.157 1.00 3.80 H new ATOM 0 HB THR A 66 4.417 -4.676 8.952 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.810 -6.822 9.635 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.985 -5.570 9.229 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.070 -4.317 7.968 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.013 -6.036 7.511 1.00 3.40 H new ATOM 1060 N LEU A 67 2.998 -3.482 5.786 1.00 4.17 N ATOM 1061 CA LEU A 67 2.527 -2.179 5.365 1.00 3.85 C ATOM 1062 C LEU A 67 1.030 -2.363 5.460 1.00 3.80 C ATOM 1063 O LEU A 67 0.558 -3.477 5.238 1.00 5.54 O ATOM 1064 CB LEU A 67 3.086 -1.924 3.916 1.00 7.18 C ATOM 1065 CG LEU A 67 2.389 -0.741 3.188 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.598 0.598 3.914 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.880 -0.559 1.753 1.00 11.66 C ATOM 0 H LEU A 67 2.418 -4.257 5.466 1.00 4.17 H new ATOM 0 HA LEU A 67 2.841 -1.308 5.940 1.00 3.85 H new ATOM 0 HB2 LEU A 67 4.156 -1.725 3.977 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.964 -2.830 3.322 1.00 7.18 H new ATOM 0 HG LEU A 67 1.332 -1.008 3.187 1.00 9.67 H new ATOM 0 HD11 LEU A 67 2.092 1.392 3.365 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.187 0.534 4.921 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.664 0.819 3.971 1.00 8.12 H new ATOM 0 HD21 LEU A 67 2.359 0.281 1.294 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.952 -0.362 1.757 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.680 -1.466 1.182 1.00 11.66 H new ATOM 1079 N HIS A 68 0.271 -1.389 5.894 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.153 -1.649 6.305 1.00 4.17 C ATOM 1081 C HIS A 68 -2.075 -1.093 5.288 1.00 5.32 C ATOM 1082 O HIS A 68 -1.877 -0.023 4.705 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.595 -1.105 7.677 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.687 -1.466 8.735 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.503 -0.818 8.980 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.623 -2.610 9.479 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.236 -1.567 9.846 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.572 -2.670 10.199 1.00 16.30 N ATOM 0 H HIS A 68 0.573 -0.419 5.984 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.197 -2.735 6.388 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.673 -0.019 7.625 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.589 -1.485 7.911 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.787 0.075 8.578 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.393 -3.366 9.507 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.222 -1.305 10.200 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.179 -1.859 5.018 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.198 -1.309 4.157 1.00 3.97 C ATOM 1098 C LEU A 69 -5.458 -1.136 5.028 1.00 5.07 C ATOM 1099 O LEU A 69 -5.935 -2.066 5.755 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.492 -2.287 2.933 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.733 -1.922 2.016 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.591 -0.621 1.166 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.169 -3.081 1.097 1.00 9.96 C ATOM 0 H LEU A 69 -3.353 -2.799 5.374 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.879 -0.357 3.732 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.602 -2.323 2.304 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.644 -3.291 3.328 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.510 -1.727 2.755 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.497 -0.470 0.579 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.441 0.232 1.828 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.736 -0.715 0.497 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.022 -2.767 0.496 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.343 -3.355 0.440 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.450 -3.941 1.705 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.014 0.098 4.921 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.289 0.536 5.463 1.00 6.26 C ATOM 1117 C VAL A 70 -7.956 1.308 4.367 1.00 9.22 C ATOM 1118 O VAL A 70 -7.309 1.585 3.336 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.183 1.334 6.814 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.823 0.440 8.032 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.305 2.637 6.667 1.00 8.54 C ATOM 0 H VAL A 70 -5.539 0.848 4.419 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.886 -0.327 5.757 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.186 1.692 7.048 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.766 1.055 8.930 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.590 -0.323 8.162 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.860 -0.040 7.859 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.260 3.155 7.625 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.297 2.363 6.355 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.750 3.294 5.920 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.270 1.630 4.582 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.188 2.050 3.508 1.00 16.06 C ATOM 1133 C LEU A 71 -10.827 3.385 3.812 1.00 18.09 C ATOM 1134 O LEU A 71 -11.318 3.737 4.892 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.194 0.941 3.078 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.581 -0.374 2.535 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.712 -1.411 2.178 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.700 -0.162 1.350 1.00 19.57 C ATOM 0 H LEU A 71 -9.706 1.601 5.504 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.580 2.204 2.617 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.820 0.697 3.936 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.850 1.354 2.312 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.957 -0.771 3.335 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.259 -2.327 1.799 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.294 -1.637 3.072 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.367 -0.987 1.416 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.301 -1.120 1.017 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.277 0.291 0.544 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.877 0.498 1.622 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.937 4.271 2.794 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.829 5.401 2.760 1.00 25.83 C ATOM 1152 C ARG A 72 -13.283 5.089 2.826 1.00 27.74 C ATOM 1153 O ARG A 72 -13.651 3.983 2.422 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.534 6.221 1.508 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.943 7.726 1.493 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.119 8.641 0.559 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.562 9.959 0.993 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.833 11.135 0.901 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.710 11.076 0.260 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.300 12.209 1.434 1.00 35.02 N ATOM 0 H ARG A 72 -10.372 4.194 1.948 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.629 5.957 3.676 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.462 6.167 1.321 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.029 5.734 0.668 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.992 7.794 1.204 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.866 8.113 2.509 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.046 8.504 0.690 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.337 8.459 -0.493 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.494 10.023 1.402 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.401 10.193 -0.148 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.134 11.912 0.162 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.198 12.190 1.918 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.772 13.080 1.373 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.084 6.047 3.302 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.505 5.984 3.338 1.00 30.76 C ATOM 1176 C LEU A 73 -16.056 7.185 2.502 1.00 32.18 C ATOM 1177 O LEU A 73 -15.562 8.312 2.556 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.171 5.953 4.735 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.937 4.743 5.642 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.744 4.902 6.928 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.424 3.384 5.093 1.00 29.11 C ATOM 0 H LEU A 73 -13.718 6.919 3.685 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.770 5.013 2.918 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.840 6.839 5.277 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.247 6.052 4.589 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.853 4.727 5.757 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.576 4.039 7.572 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.429 5.808 7.446 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.804 4.973 6.686 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.207 2.600 5.818 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.499 3.427 4.916 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.911 3.165 4.157 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.236 6.991 1.807 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.854 7.984 0.878 1.00 35.33 C ATOM 1195 C ARG A 74 -18.267 9.290 1.469 1.00 36.22 C ATOM 1196 O ARG A 74 -17.988 10.374 0.935 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.201 7.449 0.250 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.021 6.107 -0.567 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.147 6.266 -1.812 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.111 4.889 -2.471 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.915 4.601 -3.766 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.652 5.575 -4.615 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.719 3.333 -4.213 1.00 41.93 N ATOM 0 H ARG A 74 -17.779 6.131 1.885 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.038 8.130 0.170 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.926 7.286 1.047 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.616 8.213 -0.407 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.580 5.351 0.083 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.002 5.738 -0.866 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.562 7.013 -2.489 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.144 6.599 -1.546 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.253 4.092 -1.851 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.599 6.539 -4.285 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.502 5.365 -5.602 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.717 2.554 -3.554 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.574 3.160 -5.208 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.925 9.319 2.639 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.547 10.533 3.051 1.00 36.07 C ATOM 1219 C GLY A 75 -18.733 11.551 3.710 1.00 36.16 C ATOM 1220 O GLY A 75 -19.243 12.650 3.948 1.00 36.26 O ATOM 0 H GLY A 75 -19.025 8.531 3.279 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.997 10.990 2.169 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.362 10.274 3.726 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.454 11.213 4.056 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.640 11.991 4.991 1.00 36.19 C ATOM 1226 C GLY A 76 -15.279 11.277 5.236 1.00 36.20 C ATOM 1227 O GLY A 76 -15.199 10.051 5.540 1.00 0.00 O ATOM 1228 OXT GLY A 76 -14.304 12.073 5.312 1.00 0.00 O ATOM 0 H GLY A 76 -16.976 10.392 3.685 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.469 12.991 4.592 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -17.172 12.112 5.935 1.00 36.19 H new TER 1232 GLY A 76