USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 336 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 3 ASN : amide:sc= 0.593 K(o=0.59,f=-9!) USER MOD Single : A 5 SER OG : rot 180:sc= -1 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 119:sc= 0.997 USER MOD Single : A 13 HIS : no HE2:sc= 0.772 K(o=0.77,f=-5.8!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00185 USER MOD Single : A 24 THR OG1 : rot 73:sc= 0.629 USER MOD Single : A 25 GLN : amide:sc= -1.63 K(o=-1.6,f=-4.1!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.616 K(o=-0.62,f=-8.9!) USER MOD Single : A 33 GLN : amide:sc= 0.859 K(o=0.86,f=-3!) USER MOD Single : A 34 ASN : amide:sc= 0.0694 X(o=0.069,f=0) USER MOD Single : A 40 SER OG : rot -60:sc= 0.243 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 -6.512 35.510 -10.065 1.00 0.00 N ATOM 2 CA ASP A 2 -5.632 34.510 -10.729 1.00 0.00 C ATOM 3 C ASP A 2 -4.687 33.844 -9.722 1.00 0.00 C ATOM 4 O ASP A 2 -4.531 34.327 -8.598 1.00 0.00 O ATOM 5 CB ASP A 2 -4.832 35.225 -11.827 1.00 0.00 C ATOM 6 CG ASP A 2 -4.148 34.261 -12.775 1.00 0.00 C ATOM 7 OD1 ASP A 2 -4.558 33.082 -12.827 1.00 0.00 O ATOM 8 OD2 ASP A 2 -3.200 34.686 -13.461 1.00 0.00 O ATOM 0 HA ASP A 2 -6.245 33.721 -11.164 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -5.500 35.873 -12.394 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.082 35.867 -11.365 1.00 0.00 H new ATOM 15 N ASN A 3 -4.066 32.738 -10.131 1.00 0.00 N ATOM 16 CA ASN A 3 -3.139 32.005 -9.267 1.00 0.00 C ATOM 17 C ASN A 3 -2.456 30.865 -10.029 1.00 0.00 C ATOM 18 O ASN A 3 -3.123 30.047 -10.665 1.00 0.00 O ATOM 19 CB ASN A 3 -3.880 31.443 -8.047 1.00 0.00 C ATOM 20 CG ASN A 3 -2.937 30.936 -6.972 1.00 0.00 C ATOM 21 OD1 ASN A 3 -2.062 30.116 -7.236 1.00 0.00 O ATOM 22 ND2 ASN A 3 -3.108 31.422 -5.751 1.00 0.00 N ATOM 0 H ASN A 3 -4.188 32.329 -11.057 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.372 32.703 -8.932 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -4.520 32.219 -7.627 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -4.532 30.630 -8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.501 31.116 -4.991 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -3.847 32.102 -5.572 1.00 0.00 H new ATOM 29 N PRO A 4 -1.110 30.786 -9.964 1.00 0.00 N ATOM 30 CA PRO A 4 -0.345 29.729 -10.645 1.00 0.00 C ATOM 31 C PRO A 4 -0.515 28.346 -10.002 1.00 0.00 C ATOM 32 O PRO A 4 -0.084 27.339 -10.562 1.00 0.00 O ATOM 33 CB PRO A 4 1.102 30.210 -10.520 1.00 0.00 C ATOM 34 CG PRO A 4 1.115 31.046 -9.288 1.00 0.00 C ATOM 35 CD PRO A 4 -0.231 31.712 -9.221 1.00 0.00 C ATOM 0 HA PRO A 4 -0.681 29.589 -11.672 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.793 29.371 -10.437 1.00 0.00 H new ATOM 0 HB3 PRO A 4 1.405 30.787 -11.394 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.291 30.434 -8.404 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.914 31.786 -9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.564 31.842 -8.191 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -0.213 32.702 -9.678 1.00 0.00 H new ATOM 43 N SER A 5 -1.152 28.308 -8.830 1.00 0.00 N ATOM 44 CA SER A 5 -1.397 27.054 -8.103 1.00 0.00 C ATOM 45 C SER A 5 -0.103 26.416 -7.575 1.00 0.00 C ATOM 46 O SER A 5 -0.093 25.234 -7.231 1.00 0.00 O ATOM 47 CB SER A 5 -2.140 26.058 -9.000 1.00 0.00 C ATOM 48 OG SER A 5 -3.330 25.602 -8.376 1.00 0.00 O ATOM 0 H SER A 5 -1.512 29.138 -8.358 1.00 0.00 H new ATOM 0 HA SER A 5 -2.012 27.303 -7.239 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.382 26.531 -9.952 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.493 25.209 -9.221 1.00 0.00 H new ATOM 0 HG SER A 5 -3.788 24.969 -8.968 1.00 0.00 H new ATOM 54 N LEU A 6 0.981 27.195 -7.504 1.00 0.00 N ATOM 55 CA LEU A 6 2.268 26.684 -7.013 1.00 0.00 C ATOM 56 C LEU A 6 2.132 26.016 -5.640 1.00 0.00 C ATOM 57 O LEU A 6 2.721 24.964 -5.391 1.00 0.00 O ATOM 58 CB LEU A 6 3.314 27.806 -6.953 1.00 0.00 C ATOM 59 CG LEU A 6 2.890 29.056 -6.180 1.00 0.00 C ATOM 60 CD1 LEU A 6 3.470 29.042 -4.774 1.00 0.00 C ATOM 61 CD2 LEU A 6 3.325 30.311 -6.917 1.00 0.00 C ATOM 0 H LEU A 6 0.995 28.177 -7.778 1.00 0.00 H new ATOM 0 HA LEU A 6 2.602 25.926 -7.721 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.222 27.409 -6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.568 28.098 -7.972 1.00 0.00 H new ATOM 0 HG LEU A 6 1.803 29.056 -6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.156 29.940 -4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.112 28.161 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.558 29.015 -4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.015 31.190 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.410 30.312 -7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.863 30.332 -7.904 1.00 0.00 H new ATOM 73 N SER A 7 1.350 26.630 -4.757 1.00 0.00 N ATOM 74 CA SER A 7 1.130 26.100 -3.408 1.00 0.00 C ATOM 75 C SER A 7 0.204 24.881 -3.423 1.00 0.00 C ATOM 76 O SER A 7 0.295 24.009 -2.554 1.00 0.00 O ATOM 77 CB SER A 7 0.542 27.186 -2.505 1.00 0.00 C ATOM 78 OG SER A 7 -0.604 27.779 -3.101 1.00 0.00 O ATOM 0 H SER A 7 0.854 27.500 -4.950 1.00 0.00 H new ATOM 0 HA SER A 7 2.097 25.783 -3.017 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.273 26.756 -1.540 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.294 27.951 -2.314 1.00 0.00 H new ATOM 0 HG SER A 7 -0.963 28.469 -2.505 1.00 0.00 H new ATOM 84 N ILE A 8 -0.686 24.829 -4.409 1.00 0.00 N ATOM 85 CA ILE A 8 -1.633 23.723 -4.540 1.00 0.00 C ATOM 86 C ILE A 8 -1.013 22.534 -5.250 1.00 0.00 C ATOM 87 O ILE A 8 -1.180 21.390 -4.826 1.00 0.00 O ATOM 88 CB ILE A 8 -2.916 24.159 -5.285 1.00 0.00 C ATOM 89 CG1 ILE A 8 -3.456 25.468 -4.699 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.976 23.070 -5.210 1.00 0.00 C ATOM 91 CD1 ILE A 8 -4.642 26.027 -5.456 1.00 0.00 C ATOM 0 H ILE A 8 -0.773 25.542 -5.133 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.900 23.423 -3.527 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.664 24.324 -6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.744 25.300 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.658 26.210 -4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.871 23.396 -5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.594 22.158 -5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.223 22.874 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.971 26.953 -4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.353 26.227 -6.488 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.457 25.303 -5.441 1.00 0.00 H new ATOM 103 N ASP A 9 -0.297 22.820 -6.318 1.00 0.00 N ATOM 104 CA ASP A 9 0.371 21.786 -7.113 1.00 0.00 C ATOM 105 C ASP A 9 1.131 20.802 -6.227 1.00 0.00 C ATOM 106 O ASP A 9 1.068 19.591 -6.440 1.00 0.00 O ATOM 107 CB ASP A 9 1.323 22.422 -8.133 1.00 0.00 C ATOM 108 CG ASP A 9 1.335 21.679 -9.455 1.00 0.00 C ATOM 109 OD1 ASP A 9 1.420 20.431 -9.438 1.00 0.00 O ATOM 110 OD2 ASP A 9 1.260 22.348 -10.506 1.00 0.00 O ATOM 0 H ASP A 9 -0.156 23.768 -6.666 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.401 21.232 -7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.029 23.457 -8.304 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.332 22.441 -7.721 1.00 0.00 H new ATOM 115 N LEU A 10 1.838 21.327 -5.232 1.00 0.00 N ATOM 116 CA LEU A 10 2.607 20.495 -4.303 1.00 0.00 C ATOM 117 C LEU A 10 1.712 19.913 -3.203 1.00 0.00 C ATOM 118 O LEU A 10 1.770 18.714 -2.918 1.00 0.00 O ATOM 119 CB LEU A 10 3.758 21.302 -3.684 1.00 0.00 C ATOM 120 CG LEU A 10 3.341 22.524 -2.859 1.00 0.00 C ATOM 121 CD1 LEU A 10 3.274 22.175 -1.381 1.00 0.00 C ATOM 122 CD2 LEU A 10 4.309 23.672 -3.087 1.00 0.00 C ATOM 0 H LEU A 10 1.897 22.328 -5.045 1.00 0.00 H new ATOM 0 HA LEU A 10 3.026 19.664 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.342 20.638 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.417 21.635 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 10 2.348 22.835 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.976 23.056 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.544 21.380 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.254 21.838 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.999 24.532 -2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.312 23.367 -2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.312 23.941 -4.143 1.00 0.00 H new ATOM 134 N THR A 11 0.881 20.761 -2.592 1.00 0.00 N ATOM 135 CA THR A 11 -0.027 20.322 -1.528 1.00 0.00 C ATOM 136 C THR A 11 -0.978 19.245 -2.037 1.00 0.00 C ATOM 137 O THR A 11 -1.113 18.189 -1.418 1.00 0.00 O ATOM 138 CB THR A 11 -0.817 21.505 -0.962 1.00 0.00 C ATOM 139 OG1 THR A 11 0.049 22.575 -0.624 1.00 0.00 O ATOM 140 CG2 THR A 11 -1.609 21.161 0.280 1.00 0.00 C ATOM 0 H THR A 11 0.818 21.754 -2.815 1.00 0.00 H new ATOM 0 HA THR A 11 0.578 19.897 -0.727 1.00 0.00 H new ATOM 0 HB THR A 11 -1.510 21.787 -1.755 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.182 23.364 -1.158 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.144 22.045 0.627 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.324 20.372 0.048 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.930 20.818 1.061 1.00 0.00 H new ATOM 148 N PHE A 12 -1.618 19.500 -3.177 1.00 0.00 N ATOM 149 CA PHE A 12 -2.528 18.532 -3.767 1.00 0.00 C ATOM 150 C PHE A 12 -1.780 17.245 -4.126 1.00 0.00 C ATOM 151 O PHE A 12 -2.343 16.151 -4.074 1.00 0.00 O ATOM 152 CB PHE A 12 -3.189 19.137 -5.003 1.00 0.00 C ATOM 153 CG PHE A 12 -4.667 19.346 -4.851 1.00 0.00 C ATOM 154 CD1 PHE A 12 -5.151 20.288 -3.959 1.00 0.00 C ATOM 155 CD2 PHE A 12 -5.570 18.608 -5.596 1.00 0.00 C ATOM 156 CE1 PHE A 12 -6.511 20.490 -3.811 1.00 0.00 C ATOM 157 CE2 PHE A 12 -6.931 18.804 -5.454 1.00 0.00 C ATOM 158 CZ PHE A 12 -7.402 19.747 -4.561 1.00 0.00 C ATOM 0 H PHE A 12 -1.521 20.367 -3.706 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.302 18.280 -3.042 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.716 20.093 -5.226 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.009 18.485 -5.857 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.458 20.872 -3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.207 17.870 -6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.876 21.227 -3.111 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.625 18.221 -6.040 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.465 19.903 -4.449 1.00 0.00 H new ATOM 168 N HIS A 13 -0.498 17.392 -4.471 1.00 0.00 N ATOM 169 CA HIS A 13 0.349 16.266 -4.820 1.00 0.00 C ATOM 170 C HIS A 13 0.720 15.457 -3.576 1.00 0.00 C ATOM 171 O HIS A 13 0.722 14.224 -3.614 1.00 0.00 O ATOM 172 CB HIS A 13 1.609 16.791 -5.502 1.00 0.00 C ATOM 173 CG HIS A 13 1.652 16.560 -6.980 1.00 0.00 C ATOM 174 ND1 HIS A 13 1.479 17.574 -7.892 1.00 0.00 N ATOM 175 CD2 HIS A 13 1.857 15.435 -7.704 1.00 0.00 C ATOM 176 CE1 HIS A 13 1.573 17.088 -9.116 1.00 0.00 C ATOM 177 NE2 HIS A 13 1.804 15.791 -9.031 1.00 0.00 N ATOM 0 H HIS A 13 -0.026 18.295 -4.514 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.192 15.606 -5.498 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.692 17.861 -5.311 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.479 16.317 -5.047 1.00 0.00 H new ATOM 0 HD1 HIS A 13 1.305 18.552 -7.659 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.030 14.443 -7.313 1.00 0.00 H new ATOM 0 HE1 HIS A 13 1.477 17.655 -10.030 1.00 0.00 H new ATOM 186 N LEU A 14 1.034 16.153 -2.478 1.00 0.00 N ATOM 187 CA LEU A 14 1.401 15.484 -1.229 1.00 0.00 C ATOM 188 C LEU A 14 0.161 14.971 -0.490 1.00 0.00 C ATOM 189 O LEU A 14 0.139 13.826 -0.038 1.00 0.00 O ATOM 190 CB LEU A 14 2.235 16.410 -0.329 1.00 0.00 C ATOM 191 CG LEU A 14 1.504 17.626 0.237 1.00 0.00 C ATOM 192 CD1 LEU A 14 0.875 17.302 1.582 1.00 0.00 C ATOM 193 CD2 LEU A 14 2.456 18.802 0.369 1.00 0.00 C ATOM 0 H LEU A 14 1.041 17.172 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 14 2.017 14.622 -1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.622 15.823 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.095 16.760 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 14 0.707 17.897 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.360 18.183 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.160 16.488 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.653 17.002 2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.920 19.660 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.273 18.535 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.859 19.055 -0.611 1.00 0.00 H new ATOM 205 N LEU A 15 -0.879 15.808 -0.382 1.00 0.00 N ATOM 206 CA LEU A 15 -2.117 15.399 0.294 1.00 0.00 C ATOM 207 C LEU A 15 -2.778 14.228 -0.436 1.00 0.00 C ATOM 208 O LEU A 15 -3.405 13.372 0.189 1.00 0.00 O ATOM 209 CB LEU A 15 -3.088 16.585 0.425 1.00 0.00 C ATOM 210 CG LEU A 15 -3.955 16.880 -0.804 1.00 0.00 C ATOM 211 CD1 LEU A 15 -5.235 16.061 -0.770 1.00 0.00 C ATOM 212 CD2 LEU A 15 -4.284 18.363 -0.874 1.00 0.00 C ATOM 0 H LEU A 15 -0.889 16.760 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.857 15.064 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.746 16.398 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.510 17.478 0.661 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.391 16.601 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.835 16.287 -1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.988 14.999 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.802 16.309 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.900 18.558 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.827 18.658 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.360 18.938 -0.944 1.00 0.00 H new ATOM 224 N ARG A 16 -2.612 14.187 -1.758 1.00 0.00 N ATOM 225 CA ARG A 16 -3.170 13.113 -2.579 1.00 0.00 C ATOM 226 C ARG A 16 -2.865 11.746 -1.961 1.00 0.00 C ATOM 227 O ARG A 16 -3.756 10.908 -1.804 1.00 0.00 O ATOM 228 CB ARG A 16 -2.602 13.215 -4.010 1.00 0.00 C ATOM 229 CG ARG A 16 -1.977 11.932 -4.545 1.00 0.00 C ATOM 230 CD ARG A 16 -1.108 12.200 -5.762 1.00 0.00 C ATOM 231 NE ARG A 16 0.263 12.564 -5.380 1.00 0.00 N ATOM 232 CZ ARG A 16 1.365 12.103 -5.968 1.00 0.00 C ATOM 233 NH1 ARG A 16 1.292 11.265 -6.986 1.00 0.00 N ATOM 234 NH2 ARG A 16 2.547 12.491 -5.530 1.00 0.00 N ATOM 0 H ARG A 16 -2.093 14.889 -2.285 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.254 13.219 -2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.404 13.519 -4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.851 14.004 -4.032 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.377 11.466 -3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.764 11.225 -4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.086 11.314 -6.396 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.547 13.004 -6.353 1.00 0.00 H new ATOM 0 HE ARG A 16 0.379 13.219 -4.607 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.382 10.962 -7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.146 10.921 -7.426 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.612 13.140 -4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.396 12.142 -5.975 1.00 0.00 H new ATOM 248 N THR A 17 -1.601 11.532 -1.609 1.00 0.00 N ATOM 249 CA THR A 17 -1.166 10.271 -1.005 1.00 0.00 C ATOM 250 C THR A 17 -1.995 9.913 0.231 1.00 0.00 C ATOM 251 O THR A 17 -2.340 8.749 0.428 1.00 0.00 O ATOM 252 CB THR A 17 0.315 10.343 -0.631 1.00 0.00 C ATOM 253 OG1 THR A 17 1.074 10.874 -1.703 1.00 0.00 O ATOM 254 CG2 THR A 17 0.910 8.998 -0.278 1.00 0.00 C ATOM 0 H THR A 17 -0.855 12.217 -1.731 1.00 0.00 H new ATOM 0 HA THR A 17 -1.317 9.488 -1.748 1.00 0.00 H new ATOM 0 HB THR A 17 0.360 10.986 0.248 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.019 10.915 -1.446 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.963 9.121 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.377 8.577 0.574 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.820 8.325 -1.131 1.00 0.00 H new ATOM 262 N LEU A 18 -2.315 10.910 1.062 1.00 0.00 N ATOM 263 CA LEU A 18 -3.102 10.674 2.279 1.00 0.00 C ATOM 264 C LEU A 18 -4.415 9.941 1.976 1.00 0.00 C ATOM 265 O LEU A 18 -4.863 9.110 2.770 1.00 0.00 O ATOM 266 CB LEU A 18 -3.370 12.000 3.017 1.00 0.00 C ATOM 267 CG LEU A 18 -4.712 12.682 2.720 1.00 0.00 C ATOM 268 CD1 LEU A 18 -5.815 12.101 3.588 1.00 0.00 C ATOM 269 CD2 LEU A 18 -4.607 14.182 2.939 1.00 0.00 C ATOM 0 H LEU A 18 -2.044 11.883 0.917 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.514 10.027 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.311 11.813 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.569 12.697 2.770 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.962 12.498 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.757 12.599 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.911 11.034 3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.569 12.252 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.568 14.649 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.331 14.380 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.846 14.594 2.276 1.00 0.00 H new ATOM 281 N LEU A 19 -5.027 10.246 0.831 1.00 0.00 N ATOM 282 CA LEU A 19 -6.285 9.600 0.448 1.00 0.00 C ATOM 283 C LEU A 19 -6.063 8.448 -0.538 1.00 0.00 C ATOM 284 O LEU A 19 -6.786 7.450 -0.510 1.00 0.00 O ATOM 285 CB LEU A 19 -7.261 10.628 -0.140 1.00 0.00 C ATOM 286 CG LEU A 19 -6.908 11.158 -1.534 1.00 0.00 C ATOM 287 CD1 LEU A 19 -7.650 10.380 -2.607 1.00 0.00 C ATOM 288 CD2 LEU A 19 -7.229 12.639 -1.636 1.00 0.00 C ATOM 0 H LEU A 19 -4.678 10.929 0.158 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.720 9.175 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.252 10.177 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.325 11.474 0.545 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.838 11.023 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.386 10.772 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.373 9.327 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.724 10.482 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.972 12.999 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.293 12.794 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.652 13.188 -0.892 1.00 0.00 H new ATOM 300 N GLU A 20 -5.069 8.594 -1.409 1.00 0.00 N ATOM 301 CA GLU A 20 -4.765 7.568 -2.411 1.00 0.00 C ATOM 302 C GLU A 20 -4.048 6.356 -1.820 1.00 0.00 C ATOM 303 O GLU A 20 -4.013 5.283 -2.429 1.00 0.00 O ATOM 304 CB GLU A 20 -3.941 8.173 -3.555 1.00 0.00 C ATOM 305 CG GLU A 20 -3.916 7.319 -4.818 1.00 0.00 C ATOM 306 CD GLU A 20 -5.187 7.438 -5.637 1.00 0.00 C ATOM 307 OE1 GLU A 20 -6.204 6.839 -5.239 1.00 0.00 O ATOM 308 OE2 GLU A 20 -5.163 8.119 -6.681 1.00 0.00 O ATOM 0 H GLU A 20 -4.459 9.411 -1.444 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.719 7.209 -2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.345 9.155 -3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.918 8.326 -3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.065 7.613 -5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.764 6.276 -4.542 1.00 0.00 H new ATOM 315 N LEU A 21 -3.499 6.520 -0.631 1.00 0.00 N ATOM 316 CA LEU A 21 -2.795 5.429 0.048 1.00 0.00 C ATOM 317 C LEU A 21 -3.729 4.242 0.266 1.00 0.00 C ATOM 318 O LEU A 21 -3.349 3.094 0.028 1.00 0.00 O ATOM 319 CB LEU A 21 -2.189 5.901 1.380 1.00 0.00 C ATOM 320 CG LEU A 21 -3.188 6.229 2.495 1.00 0.00 C ATOM 321 CD1 LEU A 21 -3.569 4.974 3.264 1.00 0.00 C ATOM 322 CD2 LEU A 21 -2.599 7.266 3.438 1.00 0.00 C ATOM 0 H LEU A 21 -3.523 7.396 -0.109 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.974 5.107 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.512 5.128 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.586 6.788 1.188 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.090 6.638 2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.279 5.231 4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.025 4.255 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.676 4.535 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.318 7.491 4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.684 6.875 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.373 8.176 2.882 1.00 0.00 H new ATOM 334 N ALA A 22 -4.964 4.527 0.687 1.00 0.00 N ATOM 335 CA ALA A 22 -5.958 3.476 0.899 1.00 0.00 C ATOM 336 C ALA A 22 -6.236 2.752 -0.416 1.00 0.00 C ATOM 337 O ALA A 22 -6.334 1.522 -0.462 1.00 0.00 O ATOM 338 CB ALA A 22 -7.239 4.063 1.481 1.00 0.00 C ATOM 0 H ALA A 22 -5.296 5.471 0.886 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.565 2.754 1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.968 3.267 1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.019 4.540 2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.647 4.802 0.791 1.00 0.00 H new ATOM 344 N ARG A 23 -6.323 3.534 -1.488 1.00 0.00 N ATOM 345 CA ARG A 23 -6.549 2.996 -2.822 1.00 0.00 C ATOM 346 C ARG A 23 -5.372 2.117 -3.230 1.00 0.00 C ATOM 347 O ARG A 23 -5.554 0.954 -3.603 1.00 0.00 O ATOM 348 CB ARG A 23 -6.745 4.134 -3.822 1.00 0.00 C ATOM 349 CG ARG A 23 -8.087 4.835 -3.677 1.00 0.00 C ATOM 350 CD ARG A 23 -8.871 4.802 -4.977 1.00 0.00 C ATOM 351 NE ARG A 23 -8.220 5.618 -6.000 1.00 0.00 N ATOM 352 CZ ARG A 23 -8.652 5.760 -7.244 1.00 0.00 C ATOM 353 NH1 ARG A 23 -9.727 5.116 -7.661 1.00 0.00 N ATOM 354 NH2 ARG A 23 -7.995 6.544 -8.073 1.00 0.00 N ATOM 0 H ARG A 23 -6.239 4.550 -1.456 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.453 2.387 -2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.946 4.864 -3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.656 3.739 -4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.667 4.355 -2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.928 5.869 -3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.958 3.774 -5.328 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.884 5.167 -4.805 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.369 6.115 -5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.233 4.502 -7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.051 5.233 -8.621 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.160 7.036 -7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.321 6.659 -9.033 1.00 0.00 H new ATOM 368 N THR A 24 -4.157 2.664 -3.120 1.00 0.00 N ATOM 369 CA THR A 24 -2.950 1.904 -3.443 1.00 0.00 C ATOM 370 C THR A 24 -2.894 0.651 -2.575 1.00 0.00 C ATOM 371 O THR A 24 -2.601 -0.441 -3.064 1.00 0.00 O ATOM 372 CB THR A 24 -1.693 2.749 -3.227 1.00 0.00 C ATOM 373 OG1 THR A 24 -1.829 4.027 -3.820 1.00 0.00 O ATOM 374 CG2 THR A 24 -0.440 2.121 -3.793 1.00 0.00 C ATOM 0 H THR A 24 -3.986 3.621 -2.813 1.00 0.00 H new ATOM 0 HA THR A 24 -2.987 1.621 -4.495 1.00 0.00 H new ATOM 0 HB THR A 24 -1.590 2.824 -2.144 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.451 4.569 -3.291 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.412 2.774 -3.604 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.270 1.156 -3.317 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.557 1.980 -4.867 1.00 0.00 H new ATOM 382 N GLN A 25 -3.213 0.814 -1.285 1.00 0.00 N ATOM 383 CA GLN A 25 -3.236 -0.312 -0.355 1.00 0.00 C ATOM 384 C GLN A 25 -4.230 -1.359 -0.842 1.00 0.00 C ATOM 385 O GLN A 25 -3.880 -2.522 -1.030 1.00 0.00 O ATOM 386 CB GLN A 25 -3.604 0.155 1.059 1.00 0.00 C ATOM 387 CG GLN A 25 -2.750 -0.475 2.152 1.00 0.00 C ATOM 388 CD GLN A 25 -1.274 -0.170 1.994 1.00 0.00 C ATOM 389 OE1 GLN A 25 -0.527 -0.947 1.404 1.00 0.00 O ATOM 390 NE2 GLN A 25 -0.842 0.966 2.520 1.00 0.00 N ATOM 0 H GLN A 25 -3.457 1.712 -0.867 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.240 -0.753 -0.316 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.505 1.239 1.112 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.652 -0.079 1.248 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.089 -0.115 3.124 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.896 -1.555 2.143 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.494 1.585 3.002 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.142 1.222 2.443 1.00 0.00 H new ATOM 399 N SER A 26 -5.465 -0.927 -1.076 1.00 0.00 N ATOM 400 CA SER A 26 -6.510 -1.823 -1.576 1.00 0.00 C ATOM 401 C SER A 26 -6.063 -2.495 -2.873 1.00 0.00 C ATOM 402 O SER A 26 -6.236 -3.702 -3.045 1.00 0.00 O ATOM 403 CB SER A 26 -7.813 -1.059 -1.808 1.00 0.00 C ATOM 404 OG SER A 26 -8.927 -1.941 -1.793 1.00 0.00 O ATOM 0 H SER A 26 -5.769 0.035 -0.929 1.00 0.00 H new ATOM 0 HA SER A 26 -6.685 -2.591 -0.822 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.936 -0.299 -1.037 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.769 -0.539 -2.765 1.00 0.00 H new ATOM 0 HG SER A 26 -9.750 -1.431 -1.942 1.00 0.00 H new ATOM 410 N GLN A 27 -5.473 -1.707 -3.778 1.00 0.00 N ATOM 411 CA GLN A 27 -4.982 -2.222 -5.061 1.00 0.00 C ATOM 412 C GLN A 27 -4.098 -3.455 -4.870 1.00 0.00 C ATOM 413 O GLN A 27 -4.171 -4.406 -5.649 1.00 0.00 O ATOM 414 CB GLN A 27 -4.209 -1.132 -5.810 1.00 0.00 C ATOM 415 CG GLN A 27 -4.214 -1.305 -7.325 1.00 0.00 C ATOM 416 CD GLN A 27 -5.606 -1.522 -7.899 1.00 0.00 C ATOM 417 OE1 GLN A 27 -6.019 -2.656 -8.158 1.00 0.00 O ATOM 418 NE2 GLN A 27 -6.340 -0.438 -8.100 1.00 0.00 N ATOM 0 H GLN A 27 -5.323 -0.707 -3.645 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.848 -2.519 -5.652 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.638 -0.161 -5.563 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.177 -1.124 -5.458 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.771 -0.422 -7.786 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.583 -2.153 -7.589 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.963 0.482 -7.873 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.282 -0.524 -8.482 1.00 0.00 H new ATOM 427 N ARG A 28 -3.277 -3.441 -3.823 1.00 0.00 N ATOM 428 CA ARG A 28 -2.399 -4.574 -3.526 1.00 0.00 C ATOM 429 C ARG A 28 -3.092 -5.563 -2.580 1.00 0.00 C ATOM 430 O ARG A 28 -2.931 -6.778 -2.709 1.00 0.00 O ATOM 431 CB ARG A 28 -1.066 -4.096 -2.937 1.00 0.00 C ATOM 432 CG ARG A 28 -1.198 -3.446 -1.571 1.00 0.00 C ATOM 433 CD ARG A 28 0.149 -2.990 -1.030 1.00 0.00 C ATOM 434 NE ARG A 28 1.043 -4.120 -0.765 1.00 0.00 N ATOM 435 CZ ARG A 28 2.336 -4.005 -0.488 1.00 0.00 C ATOM 436 NH1 ARG A 28 2.899 -2.814 -0.393 1.00 0.00 N ATOM 437 NH2 ARG A 28 3.063 -5.090 -0.291 1.00 0.00 N ATOM 0 H ARG A 28 -3.200 -2.663 -3.168 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.185 -5.091 -4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.388 -4.946 -2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.610 -3.384 -3.625 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.871 -2.591 -1.639 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.649 -4.152 -0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.619 -2.316 -1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.002 -2.423 -0.111 1.00 0.00 H new ATOM 0 HE ARG A 28 0.645 -5.059 -0.795 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.339 -1.973 -0.533 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.893 -2.735 -0.180 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.630 -6.012 -0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.057 -5.006 -0.078 1.00 0.00 H new ATOM 451 N GLU A 29 -3.870 -5.030 -1.637 1.00 0.00 N ATOM 452 CA GLU A 29 -4.596 -5.839 -0.673 1.00 0.00 C ATOM 453 C GLU A 29 -5.648 -6.721 -1.346 1.00 0.00 C ATOM 454 O GLU A 29 -5.837 -7.866 -0.952 1.00 0.00 O ATOM 455 CB GLU A 29 -5.254 -4.929 0.365 1.00 0.00 C ATOM 456 CG GLU A 29 -4.848 -5.244 1.795 1.00 0.00 C ATOM 457 CD GLU A 29 -5.970 -5.031 2.794 1.00 0.00 C ATOM 458 OE1 GLU A 29 -6.650 -3.985 2.714 1.00 0.00 O ATOM 459 OE2 GLU A 29 -6.168 -5.912 3.659 1.00 0.00 O ATOM 0 H GLU A 29 -4.011 -4.026 -1.525 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.883 -6.502 -0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.997 -3.893 0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.337 -5.015 0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.512 -6.279 1.851 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.000 -4.618 2.072 1.00 0.00 H new ATOM 466 N ARG A 30 -6.327 -6.186 -2.362 1.00 0.00 N ATOM 467 CA ARG A 30 -7.361 -6.937 -3.088 1.00 0.00 C ATOM 468 C ARG A 30 -6.880 -8.341 -3.476 1.00 0.00 C ATOM 469 O ARG A 30 -7.643 -9.306 -3.404 1.00 0.00 O ATOM 470 CB ARG A 30 -7.807 -6.165 -4.334 1.00 0.00 C ATOM 471 CG ARG A 30 -6.659 -5.794 -5.257 1.00 0.00 C ATOM 472 CD ARG A 30 -7.139 -5.096 -6.518 1.00 0.00 C ATOM 473 NE ARG A 30 -7.531 -6.056 -7.556 1.00 0.00 N ATOM 474 CZ ARG A 30 -7.457 -5.823 -8.864 1.00 0.00 C ATOM 475 NH1 ARG A 30 -6.982 -4.678 -9.324 1.00 0.00 N ATOM 476 NH2 ARG A 30 -7.855 -6.746 -9.716 1.00 0.00 N ATOM 0 H ARG A 30 -6.182 -5.236 -2.703 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.212 -7.054 -2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.528 -6.767 -4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.322 -5.256 -4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.964 -5.144 -4.726 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.108 -6.694 -5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.986 -4.454 -6.278 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.348 -4.450 -6.900 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.884 -6.964 -7.254 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.666 -3.959 -8.673 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.931 -4.514 -10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.218 -7.635 -9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.800 -6.571 -10.719 1.00 0.00 H new ATOM 490 N ALA A 31 -5.609 -8.446 -3.867 1.00 0.00 N ATOM 491 CA ALA A 31 -5.021 -9.732 -4.249 1.00 0.00 C ATOM 492 C ALA A 31 -4.683 -10.563 -3.010 1.00 0.00 C ATOM 493 O ALA A 31 -4.895 -11.777 -2.986 1.00 0.00 O ATOM 494 CB ALA A 31 -3.780 -9.513 -5.106 1.00 0.00 C ATOM 0 H ALA A 31 -4.966 -7.656 -3.928 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.754 -10.285 -4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.354 -10.477 -5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.053 -8.965 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.045 -8.940 -4.542 1.00 0.00 H new ATOM 500 N GLU A 32 -4.174 -9.890 -1.979 1.00 0.00 N ATOM 501 CA GLU A 32 -3.820 -10.543 -0.718 1.00 0.00 C ATOM 502 C GLU A 32 -5.080 -10.947 0.037 1.00 0.00 C ATOM 503 O GLU A 32 -5.249 -12.107 0.408 1.00 0.00 O ATOM 504 CB GLU A 32 -2.970 -9.601 0.148 1.00 0.00 C ATOM 505 CG GLU A 32 -1.482 -9.931 0.167 1.00 0.00 C ATOM 506 CD GLU A 32 -1.190 -11.398 0.407 1.00 0.00 C ATOM 507 OE1 GLU A 32 -1.718 -11.966 1.384 1.00 0.00 O ATOM 508 OE2 GLU A 32 -0.430 -11.980 -0.393 1.00 0.00 O ATOM 0 H GLU A 32 -3.996 -8.886 -1.992 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.239 -11.438 -0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.098 -8.581 -0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.348 -9.627 1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.040 -9.632 -0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.997 -9.341 0.944 1.00 0.00 H new ATOM 515 N GLN A 33 -5.978 -9.985 0.232 1.00 0.00 N ATOM 516 CA GLN A 33 -7.237 -10.234 0.911 1.00 0.00 C ATOM 517 C GLN A 33 -7.962 -11.402 0.255 1.00 0.00 C ATOM 518 O GLN A 33 -8.545 -12.247 0.937 1.00 0.00 O ATOM 519 CB GLN A 33 -8.092 -8.967 0.859 1.00 0.00 C ATOM 520 CG GLN A 33 -7.757 -7.956 1.947 1.00 0.00 C ATOM 521 CD GLN A 33 -8.765 -7.936 3.081 1.00 0.00 C ATOM 522 OE1 GLN A 33 -9.804 -8.590 3.021 1.00 0.00 O ATOM 523 NE2 GLN A 33 -8.465 -7.178 4.121 1.00 0.00 N ATOM 0 H GLN A 33 -5.851 -9.021 -0.075 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.049 -10.494 1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.966 -8.494 -0.115 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.143 -9.245 0.945 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.770 -8.182 2.352 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.700 -6.962 1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.592 -6.650 4.133 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.106 -7.121 4.912 1.00 0.00 H new ATOM 532 N ASN A 34 -7.891 -11.461 -1.074 1.00 0.00 N ATOM 533 CA ASN A 34 -8.509 -12.537 -1.828 1.00 0.00 C ATOM 534 C ASN A 34 -7.940 -13.887 -1.400 1.00 0.00 C ATOM 535 O ASN A 34 -8.690 -14.839 -1.185 1.00 0.00 O ATOM 536 CB ASN A 34 -8.284 -12.326 -3.326 1.00 0.00 C ATOM 537 CG ASN A 34 -9.581 -12.242 -4.097 1.00 0.00 C ATOM 538 OD1 ASN A 34 -10.094 -13.246 -4.583 1.00 0.00 O ATOM 539 ND2 ASN A 34 -10.121 -11.039 -4.215 1.00 0.00 N ATOM 0 H ASN A 34 -7.408 -10.770 -1.648 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.580 -12.531 -1.624 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.713 -11.410 -3.479 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.683 -13.146 -3.719 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.996 -10.921 -4.725 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.662 -10.230 -3.796 1.00 0.00 H new ATOM 546 N ARG A 35 -6.612 -13.967 -1.267 1.00 0.00 N ATOM 547 CA ARG A 35 -5.975 -15.215 -0.856 1.00 0.00 C ATOM 548 C ARG A 35 -6.047 -15.418 0.656 1.00 0.00 C ATOM 549 O ARG A 35 -6.082 -16.555 1.124 1.00 0.00 O ATOM 550 CB ARG A 35 -4.532 -15.294 -1.354 1.00 0.00 C ATOM 551 CG ARG A 35 -3.619 -14.231 -0.784 1.00 0.00 C ATOM 552 CD ARG A 35 -2.230 -14.319 -1.391 1.00 0.00 C ATOM 553 NE ARG A 35 -2.263 -14.106 -2.843 1.00 0.00 N ATOM 554 CZ ARG A 35 -1.697 -13.086 -3.483 1.00 0.00 C ATOM 555 NH1 ARG A 35 -0.982 -12.181 -2.842 1.00 0.00 N ATOM 556 NH2 ARG A 35 -1.837 -12.986 -4.790 1.00 0.00 N ATOM 0 H ARG A 35 -5.969 -13.194 -1.436 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.534 -16.028 -1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.127 -16.275 -1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.530 -15.214 -2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.041 -13.244 -0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.554 -14.345 0.298 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.582 -13.575 -0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.799 -15.297 -1.175 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.760 -14.796 -3.407 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.853 -12.254 -1.833 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.558 -11.408 -3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.375 -13.686 -5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.407 -12.208 -5.291 1.00 0.00 H new ATOM 570 N ILE A 36 -6.096 -14.326 1.418 1.00 0.00 N ATOM 571 CA ILE A 36 -6.192 -14.424 2.875 1.00 0.00 C ATOM 572 C ILE A 36 -7.506 -15.087 3.278 1.00 0.00 C ATOM 573 O ILE A 36 -7.525 -16.024 4.079 1.00 0.00 O ATOM 574 CB ILE A 36 -6.076 -13.037 3.553 1.00 0.00 C ATOM 575 CG1 ILE A 36 -4.652 -12.488 3.406 1.00 0.00 C ATOM 576 CG2 ILE A 36 -6.463 -13.118 5.025 1.00 0.00 C ATOM 577 CD1 ILE A 36 -3.609 -13.280 4.167 1.00 0.00 C ATOM 0 H ILE A 36 -6.071 -13.373 1.056 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.357 -15.036 3.215 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.767 -12.356 3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.385 -12.475 2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.634 -11.455 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.373 -12.131 5.480 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.492 -13.466 5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.800 -13.815 5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.628 -12.831 4.014 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.850 -13.272 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.598 -14.308 3.805 1.00 0.00 H new ATOM 589 N ILE A 37 -8.598 -14.605 2.697 1.00 0.00 N ATOM 590 CA ILE A 37 -9.927 -15.156 2.969 1.00 0.00 C ATOM 591 C ILE A 37 -10.107 -16.517 2.286 1.00 0.00 C ATOM 592 O ILE A 37 -10.834 -17.379 2.787 1.00 0.00 O ATOM 593 CB ILE A 37 -11.043 -14.192 2.500 1.00 0.00 C ATOM 594 CG1 ILE A 37 -10.902 -12.835 3.194 1.00 0.00 C ATOM 595 CG2 ILE A 37 -12.418 -14.785 2.778 1.00 0.00 C ATOM 596 CD1 ILE A 37 -11.294 -11.665 2.319 1.00 0.00 C ATOM 0 H ILE A 37 -8.593 -13.832 2.032 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.007 -15.285 4.048 1.00 0.00 H new ATOM 0 HB ILE A 37 -10.940 -14.048 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.520 -12.829 4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.869 -12.707 3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.188 -14.091 2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.521 -15.730 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.530 -14.959 3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.169 -10.736 2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -10.660 -11.645 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.336 -11.770 2.017 1.00 0.00 H new ATOM 608 N PHE A 38 -9.440 -16.704 1.142 1.00 0.00 N ATOM 609 CA PHE A 38 -9.519 -17.958 0.383 1.00 0.00 C ATOM 610 C PHE A 38 -9.246 -19.189 1.258 1.00 0.00 C ATOM 611 O PHE A 38 -9.780 -20.266 0.993 1.00 0.00 O ATOM 612 CB PHE A 38 -8.536 -17.931 -0.792 1.00 0.00 C ATOM 613 CG PHE A 38 -9.161 -18.292 -2.110 1.00 0.00 C ATOM 614 CD1 PHE A 38 -9.361 -19.617 -2.457 1.00 0.00 C ATOM 615 CD2 PHE A 38 -9.547 -17.305 -3.003 1.00 0.00 C ATOM 616 CE1 PHE A 38 -9.933 -19.954 -3.668 1.00 0.00 C ATOM 617 CE2 PHE A 38 -10.121 -17.634 -4.217 1.00 0.00 C ATOM 618 CZ PHE A 38 -10.315 -18.961 -4.550 1.00 0.00 C ATOM 0 H PHE A 38 -8.836 -15.999 0.719 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.539 -18.040 0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.100 -16.935 -0.867 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.718 -18.622 -0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.066 -20.398 -1.772 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.398 -16.266 -2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.082 -20.992 -3.925 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.417 -16.855 -4.904 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.764 -19.221 -5.497 1.00 0.00 H new ATOM 628 N ASP A 39 -8.415 -19.031 2.290 1.00 0.00 N ATOM 629 CA ASP A 39 -8.079 -20.139 3.184 1.00 0.00 C ATOM 630 C ASP A 39 -9.205 -20.458 4.188 1.00 0.00 C ATOM 631 O ASP A 39 -9.038 -21.319 5.055 1.00 0.00 O ATOM 632 CB ASP A 39 -6.771 -19.839 3.925 1.00 0.00 C ATOM 633 CG ASP A 39 -5.580 -20.550 3.312 1.00 0.00 C ATOM 634 OD1 ASP A 39 -5.149 -20.142 2.213 1.00 0.00 O ATOM 635 OD2 ASP A 39 -5.082 -21.513 3.927 1.00 0.00 O ATOM 0 H ASP A 39 -7.963 -18.148 2.527 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.952 -21.025 2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.591 -18.764 3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.871 -20.138 4.968 1.00 0.00 H new ATOM 640 N SER A 40 -10.348 -19.772 4.060 1.00 0.00 N ATOM 641 CA SER A 40 -11.501 -19.985 4.943 1.00 0.00 C ATOM 642 C SER A 40 -11.266 -19.379 6.328 1.00 0.00 C ATOM 643 O SER A 40 -11.250 -20.089 7.338 1.00 0.00 O ATOM 644 CB SER A 40 -11.828 -21.478 5.063 1.00 0.00 C ATOM 645 OG SER A 40 -12.958 -21.688 5.896 1.00 0.00 O ATOM 0 H SER A 40 -10.499 -19.059 3.347 1.00 0.00 H new ATOM 0 HA SER A 40 -12.354 -19.476 4.494 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.020 -21.892 4.073 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.968 -22.010 5.470 1.00 0.00 H new ATOM 0 HG SER A 40 -12.772 -21.342 6.794 1.00 0.00 H new ATOM 651 N VAL A 41 -11.099 -18.060 6.363 1.00 0.00 N ATOM 652 CA VAL A 41 -10.876 -17.342 7.617 1.00 0.00 C ATOM 653 C VAL A 41 -12.094 -16.491 8.001 1.00 0.00 C ATOM 654 O VAL A 41 -12.438 -16.466 9.203 1.00 0.00 O ATOM 655 CB VAL A 41 -9.611 -16.449 7.541 1.00 0.00 C ATOM 656 CG1 VAL A 41 -9.810 -15.287 6.578 1.00 0.00 C ATOM 657 CG2 VAL A 41 -9.229 -15.940 8.924 1.00 0.00 C ATOM 658 OXT VAL A 41 -12.697 -15.862 7.100 1.00 0.00 O ATOM 0 H VAL A 41 -11.114 -17.464 5.535 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.723 -18.095 8.390 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.794 -17.062 7.160 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.905 -14.680 6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.022 -15.673 5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.646 -14.674 6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.339 -15.315 8.849 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.050 -15.353 9.335 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.024 -16.786 9.579 1.00 0.00 H new TER 668 VAL A 41