USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 LYS NZ :NH3+ -153:sc= -2.39! (180deg=-3.21!) USER MOD Set 1.2: A 92 LYS NZ :NH3+ 164:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 150:sc= 0 USER MOD Single : A 8 THR OG1 : rot -131:sc= 1.13 USER MOD Single : A 10 ASN : amide:sc= -7.38! C(o=-7.4!,f=-7.3!) USER MOD Single : A 13 SER OG : rot -90:sc= -0.757 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= 1.01 (180deg=0.821) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 35 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.16) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -152:sc= -0.752 (180deg=-2.05!) USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0205) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0786 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00591 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 146:sc=-0.00347 (180deg=-1.15) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.742 K(o=-0.74,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -12.327 5.970 12.561 1.00 0.00 N ATOM 21 CA LYS A 2 -13.584 5.715 11.801 1.00 0.00 C ATOM 22 C LYS A 2 -13.295 4.762 10.630 1.00 0.00 C ATOM 23 O LYS A 2 -12.561 3.810 10.780 1.00 0.00 O ATOM 24 CB LYS A 2 -14.019 7.098 11.315 1.00 0.00 C ATOM 25 CG LYS A 2 -14.324 7.988 12.524 1.00 0.00 C ATOM 26 CD LYS A 2 -14.853 9.341 12.044 1.00 0.00 C ATOM 27 CE LYS A 2 -15.052 10.267 13.249 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.056 11.360 13.065 1.00 0.00 N ATOM 0 HA LYS A 2 -14.364 5.239 12.396 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.232 7.547 10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.901 7.012 10.681 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.060 7.506 13.167 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.423 8.129 13.121 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.152 9.789 11.339 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.796 9.208 11.514 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.068 10.660 13.281 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.886 9.736 14.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.132 12.035 13.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.098 10.957 13.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.243 11.852 12.168 1.00 0.00 H new ATOM 42 N GLU A 3 -13.865 4.988 9.474 1.00 0.00 N ATOM 43 CA GLU A 3 -13.594 4.061 8.333 1.00 0.00 C ATOM 44 C GLU A 3 -13.333 4.839 7.036 1.00 0.00 C ATOM 45 O GLU A 3 -14.038 5.770 6.704 1.00 0.00 O ATOM 46 CB GLU A 3 -14.867 3.224 8.209 1.00 0.00 C ATOM 47 CG GLU A 3 -15.113 2.478 9.522 1.00 0.00 C ATOM 48 CD GLU A 3 -16.359 1.595 9.389 1.00 0.00 C ATOM 49 OE1 GLU A 3 -17.067 1.742 8.407 1.00 0.00 O ATOM 50 OE2 GLU A 3 -16.584 0.787 10.275 1.00 0.00 O ATOM 0 H GLU A 3 -14.497 5.762 9.272 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.707 3.452 8.504 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.717 3.866 7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.771 2.515 7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.246 1.866 9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.245 3.190 10.337 1.00 0.00 H new ATOM 57 N SER A 4 -12.338 4.437 6.285 1.00 0.00 N ATOM 58 CA SER A 4 -12.044 5.121 4.990 1.00 0.00 C ATOM 59 C SER A 4 -11.586 4.082 3.965 1.00 0.00 C ATOM 60 O SER A 4 -10.819 3.195 4.281 1.00 0.00 O ATOM 61 CB SER A 4 -10.919 6.110 5.290 1.00 0.00 C ATOM 62 OG SER A 4 -10.706 6.936 4.153 1.00 0.00 O ATOM 0 H SER A 4 -11.715 3.662 6.514 1.00 0.00 H new ATOM 0 HA SER A 4 -12.917 5.630 4.581 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.177 6.721 6.155 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.004 5.573 5.541 1.00 0.00 H new ATOM 0 HG SER A 4 -10.386 7.816 4.443 1.00 0.00 H new ATOM 68 N VAL A 5 -12.047 4.165 2.749 1.00 0.00 N ATOM 69 CA VAL A 5 -11.620 3.152 1.742 1.00 0.00 C ATOM 70 C VAL A 5 -10.496 3.699 0.857 1.00 0.00 C ATOM 71 O VAL A 5 -10.694 4.595 0.061 1.00 0.00 O ATOM 72 CB VAL A 5 -12.869 2.863 0.906 1.00 0.00 C ATOM 73 CG1 VAL A 5 -13.353 4.148 0.230 1.00 0.00 C ATOM 74 CG2 VAL A 5 -12.533 1.823 -0.167 1.00 0.00 C ATOM 0 H VAL A 5 -12.692 4.879 2.411 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.229 2.253 2.218 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.655 2.481 1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -14.242 3.934 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.594 4.891 0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.568 4.535 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -13.421 1.616 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.744 2.208 -0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.194 0.904 0.311 1.00 0.00 H new ATOM 84 N VAL A 6 -9.319 3.148 0.980 1.00 0.00 N ATOM 85 CA VAL A 6 -8.177 3.602 0.143 1.00 0.00 C ATOM 86 C VAL A 6 -7.787 2.469 -0.796 1.00 0.00 C ATOM 87 O VAL A 6 -7.540 1.359 -0.373 1.00 0.00 O ATOM 88 CB VAL A 6 -7.045 3.873 1.130 1.00 0.00 C ATOM 89 CG1 VAL A 6 -5.847 4.460 0.383 1.00 0.00 C ATOM 90 CG2 VAL A 6 -7.520 4.866 2.195 1.00 0.00 C ATOM 0 H VAL A 6 -9.100 2.395 1.632 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.409 4.483 -0.456 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.752 2.940 1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.038 4.654 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.508 3.752 -0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.140 5.393 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.711 5.059 2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.815 5.800 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.373 4.447 2.728 1.00 0.00 H new ATOM 100 N TRP A 7 -7.775 2.716 -2.065 1.00 0.00 N ATOM 101 CA TRP A 7 -7.456 1.619 -3.014 1.00 0.00 C ATOM 102 C TRP A 7 -5.947 1.388 -3.201 1.00 0.00 C ATOM 103 O TRP A 7 -5.099 2.095 -2.694 1.00 0.00 O ATOM 104 CB TRP A 7 -8.098 2.036 -4.338 1.00 0.00 C ATOM 105 CG TRP A 7 -9.583 1.873 -4.251 1.00 0.00 C ATOM 106 CD1 TRP A 7 -10.421 2.704 -3.588 1.00 0.00 C ATOM 107 CD2 TRP A 7 -10.418 0.835 -4.841 1.00 0.00 C ATOM 108 NE1 TRP A 7 -11.716 2.237 -3.730 1.00 0.00 N ATOM 109 CE2 TRP A 7 -11.766 1.089 -4.495 1.00 0.00 C ATOM 110 CE3 TRP A 7 -10.139 -0.293 -5.635 1.00 0.00 C ATOM 111 CZ2 TRP A 7 -12.800 0.254 -4.921 1.00 0.00 C ATOM 112 CZ3 TRP A 7 -11.177 -1.135 -6.065 1.00 0.00 C ATOM 113 CH2 TRP A 7 -12.506 -0.862 -5.709 1.00 0.00 C ATOM 0 H TRP A 7 -7.970 3.623 -2.490 1.00 0.00 H new ATOM 0 HA TRP A 7 -7.837 0.672 -2.631 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -7.849 3.073 -4.564 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -7.703 1.429 -5.152 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.127 3.586 -3.039 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -12.534 2.687 -3.319 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -9.119 -0.512 -5.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -13.821 0.469 -4.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -10.951 -1.998 -6.674 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -13.300 -1.513 -6.043 1.00 0.00 H new ATOM 124 N THR A 8 -5.664 0.397 -3.993 1.00 0.00 N ATOM 125 CA THR A 8 -4.242 0.068 -4.327 1.00 0.00 C ATOM 126 C THR A 8 -3.658 1.152 -5.241 1.00 0.00 C ATOM 127 O THR A 8 -2.523 1.553 -5.097 1.00 0.00 O ATOM 128 CB THR A 8 -4.236 -1.284 -5.033 1.00 0.00 C ATOM 129 OG1 THR A 8 -5.357 -1.380 -5.901 1.00 0.00 O ATOM 130 CG2 THR A 8 -4.270 -2.407 -3.993 1.00 0.00 C ATOM 0 H THR A 8 -6.359 -0.208 -4.430 1.00 0.00 H new ATOM 0 HA THR A 8 -3.632 0.025 -3.425 1.00 0.00 H new ATOM 0 HB THR A 8 -3.326 -1.379 -5.626 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.822 -2.228 -5.743 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.266 -3.372 -4.499 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.395 -2.332 -3.348 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.174 -2.318 -3.390 1.00 0.00 H new ATOM 138 N VAL A 9 -4.426 1.615 -6.192 1.00 0.00 N ATOM 139 CA VAL A 9 -3.919 2.659 -7.138 1.00 0.00 C ATOM 140 C VAL A 9 -4.008 4.074 -6.542 1.00 0.00 C ATOM 141 O VAL A 9 -3.296 4.969 -6.953 1.00 0.00 O ATOM 142 CB VAL A 9 -4.824 2.538 -8.364 1.00 0.00 C ATOM 143 CG1 VAL A 9 -4.728 1.121 -8.930 1.00 0.00 C ATOM 144 CG2 VAL A 9 -6.273 2.820 -7.961 1.00 0.00 C ATOM 0 H VAL A 9 -5.387 1.315 -6.357 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.865 2.506 -7.370 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.507 3.258 -9.118 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.373 1.034 -9.804 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.697 0.913 -9.217 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.045 0.404 -8.172 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.917 2.733 -8.836 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.587 2.099 -7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.348 3.828 -7.554 1.00 0.00 H new ATOM 154 N ASN A 10 -4.871 4.289 -5.587 1.00 0.00 N ATOM 155 CA ASN A 10 -4.992 5.650 -4.987 1.00 0.00 C ATOM 156 C ASN A 10 -3.670 6.084 -4.372 1.00 0.00 C ATOM 157 O ASN A 10 -3.328 7.250 -4.383 1.00 0.00 O ATOM 158 CB ASN A 10 -6.064 5.530 -3.903 1.00 0.00 C ATOM 159 CG ASN A 10 -7.460 5.402 -4.531 1.00 0.00 C ATOM 160 OD1 ASN A 10 -8.447 5.388 -3.822 1.00 0.00 O ATOM 161 ND2 ASN A 10 -7.601 5.301 -5.831 1.00 0.00 N ATOM 0 H ASN A 10 -5.496 3.584 -5.197 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.255 6.395 -5.738 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -5.860 4.661 -3.278 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.031 6.405 -3.253 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.532 5.212 -6.238 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.779 5.312 -6.435 1.00 0.00 H new ATOM 168 N LEU A 11 -2.916 5.168 -3.837 1.00 0.00 N ATOM 169 CA LEU A 11 -1.616 5.546 -3.231 1.00 0.00 C ATOM 170 C LEU A 11 -0.498 5.280 -4.237 1.00 0.00 C ATOM 171 O LEU A 11 0.604 4.918 -3.875 1.00 0.00 O ATOM 172 CB LEU A 11 -1.470 4.637 -2.010 1.00 0.00 C ATOM 173 CG LEU A 11 -0.480 5.260 -1.027 1.00 0.00 C ATOM 174 CD1 LEU A 11 -1.198 6.321 -0.191 1.00 0.00 C ATOM 175 CD2 LEU A 11 0.080 4.174 -0.103 1.00 0.00 C ATOM 0 H LEU A 11 -3.145 4.175 -3.794 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.566 6.599 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.438 4.498 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.122 3.651 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 11 0.339 5.721 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.495 6.768 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.595 7.095 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.016 5.858 0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.786 4.621 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.737 3.711 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.590 3.417 -0.699 1.00 0.00 H new ATOM 187 N ASP A 12 -0.770 5.460 -5.503 1.00 0.00 N ATOM 188 CA ASP A 12 0.290 5.215 -6.528 1.00 0.00 C ATOM 189 C ASP A 12 0.453 6.432 -7.445 1.00 0.00 C ATOM 190 O ASP A 12 -0.504 6.936 -8.001 1.00 0.00 O ATOM 191 CB ASP A 12 -0.199 4.010 -7.334 1.00 0.00 C ATOM 192 CG ASP A 12 0.891 3.575 -8.318 1.00 0.00 C ATOM 193 OD1 ASP A 12 1.651 4.428 -8.746 1.00 0.00 O ATOM 194 OD2 ASP A 12 0.949 2.395 -8.622 1.00 0.00 O ATOM 0 H ASP A 12 -1.672 5.763 -5.870 1.00 0.00 H new ATOM 0 HA ASP A 12 1.261 5.036 -6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.447 3.187 -6.663 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.110 4.267 -7.875 1.00 0.00 H new ATOM 199 N SER A 13 1.661 6.899 -7.617 1.00 0.00 N ATOM 200 CA SER A 13 1.890 8.072 -8.510 1.00 0.00 C ATOM 201 C SER A 13 2.120 7.603 -9.953 1.00 0.00 C ATOM 202 O SER A 13 1.814 8.301 -10.899 1.00 0.00 O ATOM 203 CB SER A 13 3.143 8.754 -7.962 1.00 0.00 C ATOM 204 OG SER A 13 3.264 10.047 -8.540 1.00 0.00 O ATOM 0 H SER A 13 2.499 6.519 -7.178 1.00 0.00 H new ATOM 0 HA SER A 13 1.035 8.748 -8.528 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.083 8.832 -6.876 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.026 8.157 -8.190 1.00 0.00 H new ATOM 0 HG SER A 13 3.790 9.989 -9.365 1.00 0.00 H new ATOM 210 N LYS A 14 2.649 6.419 -10.127 1.00 0.00 N ATOM 211 CA LYS A 14 2.890 5.901 -11.509 1.00 0.00 C ATOM 212 C LYS A 14 1.565 5.837 -12.272 1.00 0.00 C ATOM 213 O LYS A 14 1.520 5.929 -13.484 1.00 0.00 O ATOM 214 CB LYS A 14 3.472 4.500 -11.314 1.00 0.00 C ATOM 215 CG LYS A 14 4.027 3.987 -12.645 1.00 0.00 C ATOM 216 CD LYS A 14 5.331 4.723 -12.964 1.00 0.00 C ATOM 217 CE LYS A 14 6.004 4.082 -14.180 1.00 0.00 C ATOM 218 NZ LYS A 14 7.430 3.904 -13.781 1.00 0.00 N ATOM 0 H LYS A 14 2.924 5.789 -9.374 1.00 0.00 H new ATOM 0 HA LYS A 14 3.563 6.537 -12.084 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.262 4.524 -10.564 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.702 3.823 -10.944 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.206 2.913 -12.588 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.301 4.148 -13.442 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.126 5.775 -13.163 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.000 4.685 -12.104 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.542 3.127 -14.430 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.917 4.718 -15.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.958 3.469 -14.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.846 4.830 -13.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.482 3.289 -12.944 1.00 0.00 H new ATOM 232 N LYS A 15 0.486 5.681 -11.559 1.00 0.00 N ATOM 233 CA LYS A 15 -0.848 5.611 -12.210 1.00 0.00 C ATOM 234 C LYS A 15 -1.415 7.021 -12.389 1.00 0.00 C ATOM 235 O LYS A 15 -1.105 7.923 -11.638 1.00 0.00 O ATOM 236 CB LYS A 15 -1.714 4.775 -11.264 1.00 0.00 C ATOM 237 CG LYS A 15 -1.233 3.323 -11.301 1.00 0.00 C ATOM 238 CD LYS A 15 -2.181 2.438 -10.488 1.00 0.00 C ATOM 239 CE LYS A 15 -1.689 0.990 -10.533 1.00 0.00 C ATOM 240 NZ LYS A 15 -0.897 0.813 -9.285 1.00 0.00 N ATOM 0 H LYS A 15 0.473 5.598 -10.542 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.807 5.164 -13.203 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.650 5.167 -10.249 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.761 4.833 -11.562 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.189 2.972 -12.332 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.223 3.255 -10.897 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.226 2.786 -9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.192 2.503 -10.891 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.524 0.291 -10.573 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.078 0.808 -11.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.285 -0.023 -9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.310 1.656 -9.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.542 0.682 -8.480 1.00 0.00 H new ATOM 254 N SER A 16 -2.243 7.215 -13.380 1.00 0.00 N ATOM 255 CA SER A 16 -2.842 8.559 -13.630 1.00 0.00 C ATOM 256 C SER A 16 -4.267 8.599 -13.068 1.00 0.00 C ATOM 257 O SER A 16 -4.770 7.612 -12.572 1.00 0.00 O ATOM 258 CB SER A 16 -2.859 8.713 -15.149 1.00 0.00 C ATOM 259 OG SER A 16 -1.522 8.798 -15.625 1.00 0.00 O ATOM 0 H SER A 16 -2.534 6.490 -14.036 1.00 0.00 H new ATOM 0 HA SER A 16 -2.282 9.362 -13.152 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.368 7.865 -15.607 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.415 9.607 -15.430 1.00 0.00 H new ATOM 0 HG SER A 16 -1.527 8.895 -16.600 1.00 0.00 H new ATOM 265 N ARG A 17 -4.929 9.724 -13.140 1.00 0.00 N ATOM 266 CA ARG A 17 -6.322 9.796 -12.605 1.00 0.00 C ATOM 267 C ARG A 17 -7.175 8.674 -13.204 1.00 0.00 C ATOM 268 O ARG A 17 -7.962 8.051 -12.519 1.00 0.00 O ATOM 269 CB ARG A 17 -6.853 11.160 -13.047 1.00 0.00 C ATOM 270 CG ARG A 17 -8.275 11.348 -12.513 1.00 0.00 C ATOM 271 CD ARG A 17 -8.851 12.662 -13.045 1.00 0.00 C ATOM 272 NE ARG A 17 -7.940 13.717 -12.522 1.00 0.00 N ATOM 273 CZ ARG A 17 -8.143 14.968 -12.835 1.00 0.00 C ATOM 274 NH1 ARG A 17 -8.301 15.311 -14.084 1.00 0.00 N ATOM 275 NH2 ARG A 17 -8.186 15.875 -11.898 1.00 0.00 N ATOM 0 H ARG A 17 -4.570 10.590 -13.542 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.351 9.680 -11.522 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.205 11.953 -12.675 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.849 11.229 -14.135 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.904 10.512 -12.820 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.267 11.357 -11.423 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.880 12.669 -14.135 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.873 12.815 -12.698 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.157 13.462 -11.919 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.266 14.602 -14.816 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.460 16.289 -14.328 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.061 15.606 -10.922 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.345 16.853 -12.142 1.00 0.00 H new ATOM 289 N ALA A 18 -7.017 8.400 -14.471 1.00 0.00 N ATOM 290 CA ALA A 18 -7.815 7.306 -15.092 1.00 0.00 C ATOM 291 C ALA A 18 -7.460 5.983 -14.414 1.00 0.00 C ATOM 292 O ALA A 18 -8.312 5.167 -14.124 1.00 0.00 O ATOM 293 CB ALA A 18 -7.394 7.287 -16.561 1.00 0.00 C ATOM 0 H ALA A 18 -6.374 8.883 -15.099 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.890 7.454 -14.988 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.941 6.504 -17.086 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.616 8.252 -17.016 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.324 7.091 -16.630 1.00 0.00 H new ATOM 299 N GLU A 19 -6.200 5.780 -14.144 1.00 0.00 N ATOM 300 CA GLU A 19 -5.778 4.524 -13.466 1.00 0.00 C ATOM 301 C GLU A 19 -6.325 4.508 -12.037 1.00 0.00 C ATOM 302 O GLU A 19 -6.654 3.470 -11.499 1.00 0.00 O ATOM 303 CB GLU A 19 -4.249 4.540 -13.481 1.00 0.00 C ATOM 304 CG GLU A 19 -3.763 4.389 -14.924 1.00 0.00 C ATOM 305 CD GLU A 19 -2.238 4.280 -14.949 1.00 0.00 C ATOM 306 OE1 GLU A 19 -1.739 3.185 -14.754 1.00 0.00 O ATOM 307 OE2 GLU A 19 -1.597 5.295 -15.161 1.00 0.00 O ATOM 0 H GLU A 19 -5.445 6.430 -14.364 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.158 3.631 -13.962 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.878 5.472 -13.054 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.858 3.730 -12.865 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.207 3.502 -15.376 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.085 5.245 -15.517 1.00 0.00 H new ATOM 314 N GLY A 20 -6.451 5.658 -11.425 1.00 0.00 N ATOM 315 CA GLY A 20 -7.006 5.706 -10.043 1.00 0.00 C ATOM 316 C GLY A 20 -5.972 6.247 -9.049 1.00 0.00 C ATOM 317 O GLY A 20 -5.755 5.669 -8.002 1.00 0.00 O ATOM 0 H GLY A 20 -6.194 6.561 -11.823 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.895 6.337 -10.027 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.319 4.707 -9.739 1.00 0.00 H new ATOM 321 N ARG A 21 -5.344 7.355 -9.344 1.00 0.00 N ATOM 322 CA ARG A 21 -4.349 7.914 -8.380 1.00 0.00 C ATOM 323 C ARG A 21 -5.027 8.963 -7.494 1.00 0.00 C ATOM 324 O ARG A 21 -5.800 9.773 -7.966 1.00 0.00 O ATOM 325 CB ARG A 21 -3.251 8.563 -9.238 1.00 0.00 C ATOM 326 CG ARG A 21 -3.796 9.817 -9.936 1.00 0.00 C ATOM 327 CD ARG A 21 -2.675 10.486 -10.733 1.00 0.00 C ATOM 328 NE ARG A 21 -1.712 10.978 -9.710 1.00 0.00 N ATOM 329 CZ ARG A 21 -1.455 12.253 -9.616 1.00 0.00 C ATOM 330 NH1 ARG A 21 -0.793 12.858 -10.565 1.00 0.00 N ATOM 331 NH2 ARG A 21 -1.859 12.925 -8.573 1.00 0.00 N ATOM 0 H ARG A 21 -5.474 7.893 -10.201 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.936 7.146 -7.726 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.399 8.828 -8.612 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.892 7.851 -9.981 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.618 9.548 -10.600 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.196 10.512 -9.198 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.200 9.780 -11.414 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.058 11.306 -11.340 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.253 10.318 -9.082 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.477 12.333 -11.380 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.592 13.855 -10.491 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.376 12.453 -7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.658 13.922 -8.500 1.00 0.00 H new ATOM 345 N ARG A 22 -4.762 8.952 -6.217 1.00 0.00 N ATOM 346 CA ARG A 22 -5.417 9.954 -5.331 1.00 0.00 C ATOM 347 C ARG A 22 -4.429 10.534 -4.313 1.00 0.00 C ATOM 348 O ARG A 22 -4.823 11.188 -3.370 1.00 0.00 O ATOM 349 CB ARG A 22 -6.538 9.185 -4.633 1.00 0.00 C ATOM 350 CG ARG A 22 -7.505 8.649 -5.691 1.00 0.00 C ATOM 351 CD ARG A 22 -8.736 8.044 -5.013 1.00 0.00 C ATOM 352 NE ARG A 22 -9.839 9.007 -5.296 1.00 0.00 N ATOM 353 CZ ARG A 22 -10.709 9.304 -4.368 1.00 0.00 C ATOM 354 NH1 ARG A 22 -11.079 8.399 -3.505 1.00 0.00 N ATOM 355 NH2 ARG A 22 -11.209 10.508 -4.307 1.00 0.00 N ATOM 0 H ARG A 22 -4.128 8.301 -5.753 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.793 10.808 -5.894 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.124 8.363 -4.049 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.065 9.837 -3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.807 9.454 -6.361 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.008 7.895 -6.302 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.962 7.055 -5.413 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.579 7.926 -3.941 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.914 9.436 -6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.689 7.458 -3.554 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.758 8.632 -2.781 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.920 11.215 -4.983 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.888 10.742 -3.583 1.00 0.00 H new ATOM 369 N ILE A 23 -3.149 10.313 -4.485 1.00 0.00 N ATOM 370 CA ILE A 23 -2.159 10.871 -3.514 1.00 0.00 C ATOM 371 C ILE A 23 -1.186 11.799 -4.258 1.00 0.00 C ATOM 372 O ILE A 23 -0.855 11.547 -5.398 1.00 0.00 O ATOM 373 CB ILE A 23 -1.419 9.643 -2.971 1.00 0.00 C ATOM 374 CG1 ILE A 23 -0.323 10.083 -1.996 1.00 0.00 C ATOM 375 CG2 ILE A 23 -0.772 8.883 -4.132 1.00 0.00 C ATOM 376 CD1 ILE A 23 -0.904 10.191 -0.585 1.00 0.00 C ATOM 0 H ILE A 23 -2.749 9.773 -5.252 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.622 11.454 -2.718 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.131 9.000 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.498 9.366 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.088 11.044 -2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.246 8.010 -3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.544 8.562 -4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.065 9.535 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.122 10.504 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.710 10.925 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.294 9.221 -0.277 1.00 0.00 H new ATOM 388 N PRO A 24 -0.756 12.844 -3.595 1.00 0.00 N ATOM 389 CA PRO A 24 0.188 13.801 -4.225 1.00 0.00 C ATOM 390 C PRO A 24 1.527 13.125 -4.525 1.00 0.00 C ATOM 391 O PRO A 24 2.066 12.391 -3.722 1.00 0.00 O ATOM 392 CB PRO A 24 0.347 14.896 -3.172 1.00 0.00 C ATOM 393 CG PRO A 24 0.006 14.218 -1.890 1.00 0.00 C ATOM 394 CD PRO A 24 -1.086 13.243 -2.224 1.00 0.00 C ATOM 0 HA PRO A 24 -0.170 14.186 -5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.363 15.290 -3.157 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.318 15.737 -3.368 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.874 13.706 -1.475 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.327 14.938 -1.143 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.089 12.391 -1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.072 13.703 -2.163 1.00 0.00 H new ATOM 402 N ARG A 25 2.057 13.378 -5.684 1.00 0.00 N ATOM 403 CA ARG A 25 3.360 12.773 -6.083 1.00 0.00 C ATOM 404 C ARG A 25 4.457 13.113 -5.069 1.00 0.00 C ATOM 405 O ARG A 25 5.407 12.374 -4.895 1.00 0.00 O ATOM 406 CB ARG A 25 3.668 13.418 -7.430 1.00 0.00 C ATOM 407 CG ARG A 25 4.927 12.793 -8.036 1.00 0.00 C ATOM 408 CD ARG A 25 5.271 13.509 -9.344 1.00 0.00 C ATOM 409 NE ARG A 25 6.421 12.752 -9.907 1.00 0.00 N ATOM 410 CZ ARG A 25 6.236 11.564 -10.418 1.00 0.00 C ATOM 411 NH1 ARG A 25 5.935 11.438 -11.682 1.00 0.00 N ATOM 412 NH2 ARG A 25 6.352 10.503 -9.665 1.00 0.00 N ATOM 0 H ARG A 25 1.638 13.988 -6.386 1.00 0.00 H new ATOM 0 HA ARG A 25 3.314 11.685 -6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.824 13.285 -8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.810 14.491 -7.304 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.759 12.872 -7.336 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.766 11.731 -8.221 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.424 13.507 -10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.534 14.552 -9.166 1.00 0.00 H new ATOM 0 HE ARG A 25 7.355 13.161 -9.894 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.844 12.267 -12.270 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.790 10.511 -12.082 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.587 10.602 -8.677 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.207 9.576 -10.065 1.00 0.00 H new ATOM 426 N ARG A 26 4.349 14.238 -4.416 1.00 0.00 N ATOM 427 CA ARG A 26 5.400 14.641 -3.436 1.00 0.00 C ATOM 428 C ARG A 26 5.561 13.589 -2.335 1.00 0.00 C ATOM 429 O ARG A 26 6.653 13.343 -1.862 1.00 0.00 O ATOM 430 CB ARG A 26 4.900 15.957 -2.844 1.00 0.00 C ATOM 431 CG ARG A 26 4.860 17.024 -3.942 1.00 0.00 C ATOM 432 CD ARG A 26 4.475 18.378 -3.337 1.00 0.00 C ATOM 433 NE ARG A 26 3.086 18.201 -2.829 1.00 0.00 N ATOM 434 CZ ARG A 26 2.323 19.242 -2.648 1.00 0.00 C ATOM 435 NH1 ARG A 26 2.148 20.096 -3.618 1.00 0.00 N ATOM 436 NH2 ARG A 26 1.734 19.428 -1.499 1.00 0.00 N ATOM 0 H ARG A 26 3.577 14.897 -4.518 1.00 0.00 H new ATOM 0 HA ARG A 26 6.376 14.741 -3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.907 15.822 -2.416 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.556 16.277 -2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.833 17.096 -4.427 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.141 16.741 -4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.155 18.657 -2.532 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.523 19.170 -4.084 1.00 0.00 H new ATOM 0 HE ARG A 26 2.733 17.267 -2.623 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.608 19.949 -4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.551 20.911 -3.478 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.871 18.759 -0.742 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.137 20.243 -1.358 1.00 0.00 H new ATOM 450 N PHE A 27 4.496 12.964 -1.919 1.00 0.00 N ATOM 451 CA PHE A 27 4.617 11.936 -0.847 1.00 0.00 C ATOM 452 C PHE A 27 3.850 10.670 -1.238 1.00 0.00 C ATOM 453 O PHE A 27 3.251 10.016 -0.407 1.00 0.00 O ATOM 454 CB PHE A 27 3.994 12.580 0.391 1.00 0.00 C ATOM 455 CG PHE A 27 4.930 12.426 1.566 1.00 0.00 C ATOM 456 CD1 PHE A 27 5.329 11.149 1.978 1.00 0.00 C ATOM 457 CD2 PHE A 27 5.399 13.559 2.242 1.00 0.00 C ATOM 458 CE1 PHE A 27 6.195 11.005 3.068 1.00 0.00 C ATOM 459 CE2 PHE A 27 6.264 13.414 3.333 1.00 0.00 C ATOM 460 CZ PHE A 27 6.663 12.137 3.746 1.00 0.00 C ATOM 0 H PHE A 27 3.552 13.119 -2.272 1.00 0.00 H new ATOM 0 HA PHE A 27 5.651 11.639 -0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.798 13.636 0.205 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.035 12.112 0.613 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.969 10.275 1.455 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.094 14.544 1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.502 10.020 3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.624 14.288 3.856 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.331 12.025 4.587 1.00 0.00 H new ATOM 470 N ALA A 28 3.860 10.320 -2.495 1.00 0.00 N ATOM 471 CA ALA A 28 3.129 9.092 -2.928 1.00 0.00 C ATOM 472 C ALA A 28 4.111 8.006 -3.379 1.00 0.00 C ATOM 473 O ALA A 28 5.146 8.286 -3.951 1.00 0.00 O ATOM 474 CB ALA A 28 2.256 9.543 -4.100 1.00 0.00 C ATOM 0 H ALA A 28 4.340 10.827 -3.239 1.00 0.00 H new ATOM 0 HA ALA A 28 2.540 8.662 -2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.685 8.694 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.571 10.322 -3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.889 9.935 -4.896 1.00 0.00 H new ATOM 480 N VAL A 29 3.801 6.766 -3.105 1.00 0.00 N ATOM 481 CA VAL A 29 4.722 5.654 -3.493 1.00 0.00 C ATOM 482 C VAL A 29 4.259 5.002 -4.805 1.00 0.00 C ATOM 483 O VAL A 29 3.222 4.372 -4.849 1.00 0.00 O ATOM 484 CB VAL A 29 4.622 4.639 -2.348 1.00 0.00 C ATOM 485 CG1 VAL A 29 5.165 5.263 -1.061 1.00 0.00 C ATOM 486 CG2 VAL A 29 3.162 4.224 -2.129 1.00 0.00 C ATOM 0 H VAL A 29 2.948 6.474 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 29 5.740 6.009 -3.651 1.00 0.00 H new ATOM 0 HB VAL A 29 5.208 3.758 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.093 4.541 -0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.208 5.545 -1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.581 6.149 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.107 3.503 -1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.568 5.103 -1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.772 3.771 -3.040 1.00 0.00 H new ATOM 496 N PRO A 30 5.050 5.166 -5.840 1.00 0.00 N ATOM 497 CA PRO A 30 4.704 4.571 -7.155 1.00 0.00 C ATOM 498 C PRO A 30 4.777 3.047 -7.062 1.00 0.00 C ATOM 499 O PRO A 30 5.500 2.504 -6.252 1.00 0.00 O ATOM 500 CB PRO A 30 5.772 5.124 -8.097 1.00 0.00 C ATOM 501 CG PRO A 30 6.922 5.460 -7.206 1.00 0.00 C ATOM 502 CD PRO A 30 6.325 5.897 -5.895 1.00 0.00 C ATOM 0 HA PRO A 30 3.697 4.812 -7.494 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.056 4.389 -8.850 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.413 6.004 -8.630 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.573 4.597 -7.069 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.531 6.253 -7.640 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.971 5.642 -5.055 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.171 6.976 -5.863 1.00 0.00 H new ATOM 510 N ASN A 31 4.030 2.347 -7.873 1.00 0.00 N ATOM 511 CA ASN A 31 4.060 0.853 -7.806 1.00 0.00 C ATOM 512 C ASN A 31 3.583 0.394 -6.425 1.00 0.00 C ATOM 513 O ASN A 31 4.317 -0.210 -5.669 1.00 0.00 O ATOM 514 CB ASN A 31 5.523 0.455 -8.035 1.00 0.00 C ATOM 515 CG ASN A 31 5.584 -0.781 -8.936 1.00 0.00 C ATOM 516 OD1 ASN A 31 4.751 -1.661 -8.837 1.00 0.00 O ATOM 517 ND2 ASN A 31 6.540 -0.882 -9.818 1.00 0.00 N ATOM 0 H ASN A 31 3.403 2.740 -8.575 1.00 0.00 H new ATOM 0 HA ASN A 31 3.407 0.392 -8.548 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.067 1.280 -8.495 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.007 0.246 -7.081 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.589 -1.700 -10.425 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.238 -0.143 -9.900 1.00 0.00 H new ATOM 524 N VAL A 32 2.361 0.706 -6.085 1.00 0.00 N ATOM 525 CA VAL A 32 1.836 0.319 -4.736 1.00 0.00 C ATOM 526 C VAL A 32 1.918 -1.193 -4.544 1.00 0.00 C ATOM 527 O VAL A 32 1.269 -1.958 -5.229 1.00 0.00 O ATOM 528 CB VAL A 32 0.363 0.768 -4.718 1.00 0.00 C ATOM 529 CG1 VAL A 32 0.303 2.287 -4.547 1.00 0.00 C ATOM 530 CG2 VAL A 32 -0.330 0.368 -6.027 1.00 0.00 C ATOM 0 H VAL A 32 1.703 1.211 -6.679 1.00 0.00 H new ATOM 0 HA VAL A 32 2.415 0.781 -3.936 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.150 0.282 -3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.738 2.611 -4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.782 2.567 -3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.822 2.767 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.371 0.691 -6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.177 0.843 -6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.289 -0.715 -6.144 1.00 0.00 H new ATOM 540 N LYS A 33 2.726 -1.627 -3.613 1.00 0.00 N ATOM 541 CA LYS A 33 2.872 -3.094 -3.366 1.00 0.00 C ATOM 542 C LYS A 33 2.148 -3.468 -2.068 1.00 0.00 C ATOM 543 O LYS A 33 2.215 -2.762 -1.082 1.00 0.00 O ATOM 544 CB LYS A 33 4.399 -3.404 -3.275 1.00 0.00 C ATOM 545 CG LYS A 33 5.226 -2.170 -2.836 1.00 0.00 C ATOM 546 CD LYS A 33 6.727 -2.504 -2.813 1.00 0.00 C ATOM 547 CE LYS A 33 7.309 -2.320 -4.216 1.00 0.00 C ATOM 548 NZ LYS A 33 8.766 -2.586 -4.064 1.00 0.00 N ATOM 0 H LYS A 33 3.292 -1.029 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 33 2.428 -3.680 -4.171 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.561 -4.217 -2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.755 -3.751 -4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.043 -1.341 -3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.905 -1.844 -1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.244 -1.857 -2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.878 -3.530 -2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.853 -3.010 -4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.128 -1.312 -4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.292 -2.067 -4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.080 -2.272 -3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.945 -3.605 -4.167 1.00 0.00 H new ATOM 562 N LEU A 34 1.444 -4.571 -2.070 1.00 0.00 N ATOM 563 CA LEU A 34 0.698 -4.988 -0.843 1.00 0.00 C ATOM 564 C LEU A 34 1.649 -5.250 0.321 1.00 0.00 C ATOM 565 O LEU A 34 1.360 -4.923 1.455 1.00 0.00 O ATOM 566 CB LEU A 34 -0.011 -6.285 -1.222 1.00 0.00 C ATOM 567 CG LEU A 34 -0.813 -6.792 -0.018 1.00 0.00 C ATOM 568 CD1 LEU A 34 -2.164 -6.078 0.029 1.00 0.00 C ATOM 569 CD2 LEU A 34 -1.036 -8.300 -0.154 1.00 0.00 C ATOM 0 H LEU A 34 1.353 -5.201 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 34 0.008 -4.208 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.674 -6.116 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.717 -7.035 -1.531 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.262 -6.588 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.736 -6.437 0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.005 -5.004 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.716 -6.283 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.606 -8.662 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.588 -8.505 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.073 -8.809 -0.189 1.00 0.00 H new ATOM 581 N HIS A 35 2.772 -5.853 0.060 1.00 0.00 N ATOM 582 CA HIS A 35 3.724 -6.151 1.164 1.00 0.00 C ATOM 583 C HIS A 35 4.007 -4.880 1.960 1.00 0.00 C ATOM 584 O HIS A 35 3.995 -4.873 3.169 1.00 0.00 O ATOM 585 CB HIS A 35 4.997 -6.631 0.466 1.00 0.00 C ATOM 586 CG HIS A 35 4.677 -7.813 -0.411 1.00 0.00 C ATOM 587 ND1 HIS A 35 4.242 -9.023 0.107 1.00 0.00 N ATOM 588 CD2 HIS A 35 4.725 -7.983 -1.773 1.00 0.00 C ATOM 589 CE1 HIS A 35 4.047 -9.859 -0.930 1.00 0.00 C ATOM 590 NE2 HIS A 35 4.328 -9.276 -2.098 1.00 0.00 N ATOM 0 H HIS A 35 3.072 -6.152 -0.868 1.00 0.00 H new ATOM 0 HA HIS A 35 3.334 -6.892 1.862 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.421 -5.825 -0.133 1.00 0.00 H new ATOM 0 HB3 HIS A 35 5.748 -6.907 1.206 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.025 -7.227 -2.484 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.705 -10.878 -0.829 1.00 0.00 H new ATOM 0 HE2 HIS A 35 4.265 -9.690 -3.028 1.00 0.00 H new ATOM 598 N GLU A 36 4.228 -3.798 1.280 1.00 0.00 N ATOM 599 CA GLU A 36 4.477 -2.511 1.975 1.00 0.00 C ATOM 600 C GLU A 36 3.173 -1.965 2.550 1.00 0.00 C ATOM 601 O GLU A 36 3.137 -1.401 3.626 1.00 0.00 O ATOM 602 CB GLU A 36 5.043 -1.577 0.904 1.00 0.00 C ATOM 603 CG GLU A 36 6.493 -1.968 0.580 1.00 0.00 C ATOM 604 CD GLU A 36 6.562 -3.359 -0.058 1.00 0.00 C ATOM 605 OE1 GLU A 36 5.616 -3.735 -0.727 1.00 0.00 O ATOM 606 OE2 GLU A 36 7.572 -4.019 0.121 1.00 0.00 O ATOM 0 H GLU A 36 4.247 -3.748 0.261 1.00 0.00 H new ATOM 0 HA GLU A 36 5.167 -2.618 2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.433 -1.632 0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.005 -0.545 1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.928 -1.233 -0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.089 -1.954 1.493 1.00 0.00 H new ATOM 613 N LEU A 37 2.104 -2.104 1.814 1.00 0.00 N ATOM 614 CA LEU A 37 0.798 -1.570 2.281 1.00 0.00 C ATOM 615 C LEU A 37 0.272 -2.337 3.498 1.00 0.00 C ATOM 616 O LEU A 37 -0.070 -1.753 4.505 1.00 0.00 O ATOM 617 CB LEU A 37 -0.140 -1.757 1.093 1.00 0.00 C ATOM 618 CG LEU A 37 -1.399 -0.919 1.302 1.00 0.00 C ATOM 619 CD1 LEU A 37 -2.052 -0.634 -0.052 1.00 0.00 C ATOM 620 CD2 LEU A 37 -2.377 -1.683 2.197 1.00 0.00 C ATOM 0 H LEU A 37 2.082 -2.567 0.905 1.00 0.00 H new ATOM 0 HA LEU A 37 0.882 -0.530 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.359 -1.459 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.404 -2.809 0.986 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.135 0.024 1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.951 -0.036 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.353 -0.088 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.318 -1.575 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.276 -1.085 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.644 -2.627 1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.909 -1.882 3.161 1.00 0.00 H new ATOM 632 N VAL A 38 0.191 -3.635 3.413 1.00 0.00 N ATOM 633 CA VAL A 38 -0.331 -4.424 4.568 1.00 0.00 C ATOM 634 C VAL A 38 0.676 -4.428 5.727 1.00 0.00 C ATOM 635 O VAL A 38 0.315 -4.274 6.877 1.00 0.00 O ATOM 636 CB VAL A 38 -0.545 -5.832 4.010 1.00 0.00 C ATOM 637 CG1 VAL A 38 -0.968 -6.773 5.140 1.00 0.00 C ATOM 638 CG2 VAL A 38 -1.645 -5.790 2.942 1.00 0.00 C ATOM 0 H VAL A 38 0.462 -4.184 2.597 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.251 -4.005 4.976 1.00 0.00 H new ATOM 0 HB VAL A 38 0.383 -6.194 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.120 -7.776 4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.189 -6.800 5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.897 -6.414 5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.801 -6.791 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.572 -5.429 3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.345 -5.120 2.137 1.00 0.00 H new ATOM 648 N GLU A 39 1.932 -4.611 5.431 1.00 0.00 N ATOM 649 CA GLU A 39 2.981 -4.639 6.504 1.00 0.00 C ATOM 650 C GLU A 39 3.013 -3.337 7.322 1.00 0.00 C ATOM 651 O GLU A 39 3.373 -3.342 8.480 1.00 0.00 O ATOM 652 CB GLU A 39 4.310 -4.842 5.780 1.00 0.00 C ATOM 653 CG GLU A 39 5.427 -5.019 6.813 1.00 0.00 C ATOM 654 CD GLU A 39 6.780 -5.133 6.104 1.00 0.00 C ATOM 655 OE1 GLU A 39 6.801 -5.060 4.886 1.00 0.00 O ATOM 656 OE2 GLU A 39 7.773 -5.292 6.794 1.00 0.00 O ATOM 0 H GLU A 39 2.286 -4.744 4.484 1.00 0.00 H new ATOM 0 HA GLU A 39 2.772 -5.435 7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.255 -5.718 5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.523 -3.986 5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.437 -4.172 7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.243 -5.912 7.411 1.00 0.00 H new ATOM 663 N ALA A 40 2.646 -2.229 6.741 1.00 0.00 N ATOM 664 CA ALA A 40 2.664 -0.938 7.502 1.00 0.00 C ATOM 665 C ALA A 40 1.738 -1.020 8.724 1.00 0.00 C ATOM 666 O ALA A 40 2.025 -0.482 9.774 1.00 0.00 O ATOM 667 CB ALA A 40 2.153 0.111 6.514 1.00 0.00 C ATOM 0 H ALA A 40 2.334 -2.157 5.773 1.00 0.00 H new ATOM 0 HA ALA A 40 3.659 -0.698 7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.136 1.088 6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.813 0.146 5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.145 -0.152 6.193 1.00 0.00 H new ATOM 673 N SER A 41 0.628 -1.685 8.582 1.00 0.00 N ATOM 674 CA SER A 41 -0.336 -1.806 9.719 1.00 0.00 C ATOM 675 C SER A 41 0.337 -2.430 10.943 1.00 0.00 C ATOM 676 O SER A 41 0.024 -2.099 12.066 1.00 0.00 O ATOM 677 CB SER A 41 -1.446 -2.732 9.216 1.00 0.00 C ATOM 678 OG SER A 41 -2.424 -2.889 10.237 1.00 0.00 O ATOM 0 H SER A 41 0.341 -2.155 7.723 1.00 0.00 H new ATOM 0 HA SER A 41 -0.713 -0.829 10.022 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.904 -2.316 8.318 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.030 -3.702 8.942 1.00 0.00 H new ATOM 0 HG SER A 41 -3.138 -3.480 9.918 1.00 0.00 H new ATOM 684 N LYS A 42 1.250 -3.335 10.738 1.00 0.00 N ATOM 685 CA LYS A 42 1.926 -3.985 11.895 1.00 0.00 C ATOM 686 C LYS A 42 2.632 -2.929 12.753 1.00 0.00 C ATOM 687 O LYS A 42 2.739 -3.059 13.957 1.00 0.00 O ATOM 688 CB LYS A 42 2.913 -4.994 11.276 1.00 0.00 C ATOM 689 CG LYS A 42 4.218 -4.308 10.850 1.00 0.00 C ATOM 690 CD LYS A 42 5.187 -4.284 12.032 1.00 0.00 C ATOM 691 CE LYS A 42 6.585 -4.675 11.553 1.00 0.00 C ATOM 692 NZ LYS A 42 6.893 -5.944 12.270 1.00 0.00 N ATOM 0 H LYS A 42 1.558 -3.654 9.819 1.00 0.00 H new ATOM 0 HA LYS A 42 1.229 -4.492 12.562 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.132 -5.781 11.998 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.453 -5.473 10.412 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.664 -4.840 10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.014 -3.292 10.512 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.209 -3.290 12.478 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.850 -4.973 12.806 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.608 -4.816 10.472 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.315 -3.900 11.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.839 -6.278 11.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.870 -5.777 13.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.185 -6.664 12.021 1.00 0.00 H new ATOM 706 N GLU A 43 3.118 -1.888 12.137 1.00 0.00 N ATOM 707 CA GLU A 43 3.821 -0.827 12.908 1.00 0.00 C ATOM 708 C GLU A 43 2.897 -0.254 13.991 1.00 0.00 C ATOM 709 O GLU A 43 3.300 -0.056 15.120 1.00 0.00 O ATOM 710 CB GLU A 43 4.139 0.239 11.859 1.00 0.00 C ATOM 711 CG GLU A 43 5.193 -0.288 10.879 1.00 0.00 C ATOM 712 CD GLU A 43 6.474 -0.638 11.640 1.00 0.00 C ATOM 713 OE1 GLU A 43 6.605 -0.207 12.775 1.00 0.00 O ATOM 714 OE2 GLU A 43 7.304 -1.330 11.075 1.00 0.00 O ATOM 0 H GLU A 43 3.058 -1.726 11.132 1.00 0.00 H new ATOM 0 HA GLU A 43 4.711 -1.194 13.420 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.232 0.511 11.319 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.504 1.143 12.346 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.814 -1.169 10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.404 0.463 10.118 1.00 0.00 H new ATOM 721 N LEU A 44 1.661 0.003 13.657 1.00 0.00 N ATOM 722 CA LEU A 44 0.710 0.551 14.673 1.00 0.00 C ATOM 723 C LEU A 44 -0.257 -0.539 15.159 1.00 0.00 C ATOM 724 O LEU A 44 -1.001 -0.343 16.100 1.00 0.00 O ATOM 725 CB LEU A 44 -0.048 1.667 13.950 1.00 0.00 C ATOM 726 CG LEU A 44 0.943 2.719 13.437 1.00 0.00 C ATOM 727 CD1 LEU A 44 0.176 3.892 12.822 1.00 0.00 C ATOM 728 CD2 LEU A 44 1.801 3.233 14.599 1.00 0.00 C ATOM 0 H LEU A 44 1.267 -0.142 12.727 1.00 0.00 H new ATOM 0 HA LEU A 44 1.228 0.919 15.559 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.617 1.253 13.117 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.766 2.130 14.627 1.00 0.00 H new ATOM 0 HG LEU A 44 1.585 2.265 12.682 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.883 4.638 12.458 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.433 3.534 11.992 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.469 4.341 13.577 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.504 3.980 14.230 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.158 3.682 15.355 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.353 2.402 15.039 1.00 0.00 H new ATOM 740 N GLY A 45 -0.254 -1.683 14.526 1.00 0.00 N ATOM 741 CA GLY A 45 -1.172 -2.784 14.950 1.00 0.00 C ATOM 742 C GLY A 45 -2.636 -2.406 14.671 1.00 0.00 C ATOM 743 O GLY A 45 -3.544 -3.123 15.043 1.00 0.00 O ATOM 0 H GLY A 45 0.346 -1.904 13.731 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.920 -3.701 14.417 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.039 -2.986 16.013 1.00 0.00 H new ATOM 747 N LEU A 46 -2.879 -1.295 14.019 1.00 0.00 N ATOM 748 CA LEU A 46 -4.287 -0.887 13.725 1.00 0.00 C ATOM 749 C LEU A 46 -4.284 0.394 12.887 1.00 0.00 C ATOM 750 O LEU A 46 -3.736 1.400 13.287 1.00 0.00 O ATOM 751 CB LEU A 46 -4.927 -0.626 15.089 1.00 0.00 C ATOM 752 CG LEU A 46 -6.448 -0.561 14.935 1.00 0.00 C ATOM 753 CD1 LEU A 46 -7.112 -0.871 16.279 1.00 0.00 C ATOM 754 CD2 LEU A 46 -6.855 0.842 14.478 1.00 0.00 C ATOM 0 H LEU A 46 -2.163 -0.654 13.678 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.831 -1.648 13.165 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.655 -1.417 15.788 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.553 0.309 15.505 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.769 -1.293 14.194 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.195 -0.825 16.169 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.823 -1.870 16.606 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.791 -0.140 17.021 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.938 0.889 14.368 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.533 1.574 15.219 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.383 1.064 13.521 1.00 0.00 H new ATOM 766 N LYS A 47 -4.892 0.368 11.733 1.00 0.00 N ATOM 767 CA LYS A 47 -4.920 1.582 10.873 1.00 0.00 C ATOM 768 C LYS A 47 -5.801 1.317 9.657 1.00 0.00 C ATOM 769 O LYS A 47 -6.608 2.137 9.270 1.00 0.00 O ATOM 770 CB LYS A 47 -3.473 1.805 10.434 1.00 0.00 C ATOM 771 CG LYS A 47 -2.886 3.017 11.162 1.00 0.00 C ATOM 772 CD LYS A 47 -1.752 3.610 10.324 1.00 0.00 C ATOM 773 CE LYS A 47 -0.666 2.552 10.111 1.00 0.00 C ATOM 774 NZ LYS A 47 0.344 3.204 9.229 1.00 0.00 N ATOM 0 H LYS A 47 -5.372 -0.446 11.348 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.320 2.451 11.395 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.878 0.918 10.650 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.431 1.962 9.356 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.660 3.766 11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.513 2.721 12.142 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.136 3.951 9.362 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.332 4.481 10.826 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.223 2.246 11.059 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.075 1.655 9.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.833 2.479 8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.132 3.874 8.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.037 3.714 9.813 1.00 0.00 H new ATOM 788 N PHE A 48 -5.652 0.170 9.048 1.00 0.00 N ATOM 789 CA PHE A 48 -6.484 -0.142 7.858 1.00 0.00 C ATOM 790 C PHE A 48 -6.760 -1.643 7.717 1.00 0.00 C ATOM 791 O PHE A 48 -6.263 -2.465 8.460 1.00 0.00 O ATOM 792 CB PHE A 48 -5.751 0.423 6.637 1.00 0.00 C ATOM 793 CG PHE A 48 -4.312 -0.015 6.612 1.00 0.00 C ATOM 794 CD1 PHE A 48 -3.966 -1.269 6.105 1.00 0.00 C ATOM 795 CD2 PHE A 48 -3.318 0.858 7.069 1.00 0.00 C ATOM 796 CE1 PHE A 48 -2.622 -1.655 6.056 1.00 0.00 C ATOM 797 CE2 PHE A 48 -1.976 0.472 7.025 1.00 0.00 C ATOM 798 CZ PHE A 48 -1.627 -0.783 6.518 1.00 0.00 C ATOM 0 H PHE A 48 -4.993 -0.558 9.324 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.468 0.317 7.958 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.250 0.093 5.726 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.802 1.512 6.651 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.735 -1.940 5.751 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.588 1.830 7.455 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.352 -2.624 5.663 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.209 1.143 7.382 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.590 -1.081 6.482 1.00 0.00 H new ATOM 808 N ARG A 49 -7.549 -1.981 6.736 1.00 0.00 N ATOM 809 CA ARG A 49 -7.891 -3.401 6.468 1.00 0.00 C ATOM 810 C ARG A 49 -7.846 -3.613 4.960 1.00 0.00 C ATOM 811 O ARG A 49 -8.141 -2.710 4.202 1.00 0.00 O ATOM 812 CB ARG A 49 -9.312 -3.585 7.007 1.00 0.00 C ATOM 813 CG ARG A 49 -9.350 -3.234 8.498 1.00 0.00 C ATOM 814 CD ARG A 49 -8.552 -4.269 9.295 1.00 0.00 C ATOM 815 NE ARG A 49 -8.774 -3.907 10.723 1.00 0.00 N ATOM 816 CZ ARG A 49 -8.951 -4.843 11.613 1.00 0.00 C ATOM 817 NH1 ARG A 49 -8.205 -5.914 11.591 1.00 0.00 N ATOM 818 NH2 ARG A 49 -9.872 -4.709 12.528 1.00 0.00 N ATOM 0 H ARG A 49 -7.980 -1.315 6.095 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.209 -4.112 6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.005 -2.949 6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.637 -4.615 6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.934 -2.239 8.657 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.382 -3.208 8.849 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.898 -5.281 9.086 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.493 -4.234 9.039 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.788 -2.927 11.004 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.484 -6.018 10.877 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.343 -6.646 12.287 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.454 -3.871 12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.010 -5.442 13.224 1.00 0.00 H new ATOM 832 N ALA A 50 -7.473 -4.771 4.503 1.00 0.00 N ATOM 833 CA ALA A 50 -7.415 -4.975 3.032 1.00 0.00 C ATOM 834 C ALA A 50 -8.622 -5.784 2.554 1.00 0.00 C ATOM 835 O ALA A 50 -9.105 -6.664 3.238 1.00 0.00 O ATOM 836 CB ALA A 50 -6.115 -5.739 2.784 1.00 0.00 C ATOM 0 H ALA A 50 -7.209 -5.575 5.073 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.439 -4.031 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.002 -5.927 1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.272 -5.147 3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.143 -6.688 3.319 1.00 0.00 H new ATOM 842 N GLU A 51 -9.108 -5.489 1.381 1.00 0.00 N ATOM 843 CA GLU A 51 -10.282 -6.235 0.849 1.00 0.00 C ATOM 844 C GLU A 51 -9.977 -6.756 -0.557 1.00 0.00 C ATOM 845 O GLU A 51 -9.221 -6.160 -1.299 1.00 0.00 O ATOM 846 CB GLU A 51 -11.419 -5.215 0.815 1.00 0.00 C ATOM 847 CG GLU A 51 -12.726 -5.919 0.441 1.00 0.00 C ATOM 848 CD GLU A 51 -13.853 -4.888 0.323 1.00 0.00 C ATOM 849 OE1 GLU A 51 -13.578 -3.712 0.495 1.00 0.00 O ATOM 850 OE2 GLU A 51 -14.974 -5.295 0.066 1.00 0.00 O ATOM 0 H GLU A 51 -8.742 -4.762 0.766 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.537 -7.101 1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.519 -4.733 1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.196 -4.430 0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.607 -6.451 -0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.979 -6.663 1.196 1.00 0.00 H new ATOM 857 N GLU A 52 -10.565 -7.858 -0.933 1.00 0.00 N ATOM 858 CA GLU A 52 -10.310 -8.404 -2.295 1.00 0.00 C ATOM 859 C GLU A 52 -11.627 -8.851 -2.937 1.00 0.00 C ATOM 860 O GLU A 52 -12.480 -9.427 -2.293 1.00 0.00 O ATOM 861 CB GLU A 52 -9.376 -9.594 -2.076 1.00 0.00 C ATOM 862 CG GLU A 52 -8.086 -9.108 -1.412 1.00 0.00 C ATOM 863 CD GLU A 52 -7.408 -8.066 -2.304 1.00 0.00 C ATOM 864 OE1 GLU A 52 -7.741 -8.010 -3.478 1.00 0.00 O ATOM 865 OE2 GLU A 52 -6.567 -7.340 -1.800 1.00 0.00 O ATOM 0 H GLU A 52 -11.209 -8.402 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.869 -7.666 -2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.862 -10.342 -1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.150 -10.074 -3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.308 -8.676 -0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.413 -9.949 -1.243 1.00 0.00 H new ATOM 1069 N GLY A 64 -6.403 -5.181 -5.758 1.00 0.00 N ATOM 1070 CA GLY A 64 -7.331 -5.158 -4.590 1.00 0.00 C ATOM 1071 C GLY A 64 -7.365 -3.749 -3.996 1.00 0.00 C ATOM 1072 O GLY A 64 -6.844 -2.814 -4.570 1.00 0.00 O ATOM 0 HA2 GLY A 64 -8.332 -5.458 -4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.003 -5.874 -3.837 1.00 0.00 H new ATOM 1076 N ARG A 65 -7.982 -3.585 -2.859 1.00 0.00 N ATOM 1077 CA ARG A 65 -8.054 -2.231 -2.241 1.00 0.00 C ATOM 1078 C ARG A 65 -7.996 -2.343 -0.717 1.00 0.00 C ATOM 1079 O ARG A 65 -8.178 -3.407 -0.158 1.00 0.00 O ATOM 1080 CB ARG A 65 -9.396 -1.651 -2.697 1.00 0.00 C ATOM 1081 CG ARG A 65 -10.547 -2.462 -2.097 1.00 0.00 C ATOM 1082 CD ARG A 65 -11.866 -2.013 -2.728 1.00 0.00 C ATOM 1083 NE ARG A 65 -12.919 -2.755 -1.984 1.00 0.00 N ATOM 1084 CZ ARG A 65 -14.012 -2.146 -1.619 1.00 0.00 C ATOM 1085 NH1 ARG A 65 -14.000 -1.348 -0.585 1.00 0.00 N ATOM 1086 NH2 ARG A 65 -15.117 -2.332 -2.286 1.00 0.00 N ATOM 0 H ARG A 65 -8.439 -4.329 -2.331 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.221 -1.595 -2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.475 -0.609 -2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.458 -1.667 -3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.389 -3.526 -2.275 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.581 -2.322 -1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.002 -0.935 -2.635 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.895 -2.247 -3.792 1.00 0.00 H new ATOM 0 HE ARG A 65 -12.786 -3.741 -1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.136 -1.202 -0.064 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.855 -0.871 -0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.126 -2.954 -3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.972 -1.855 -2.000 1.00 0.00 H new ATOM 1100 N VAL A 66 -7.728 -1.261 -0.041 1.00 0.00 N ATOM 1101 CA VAL A 66 -7.640 -1.322 1.453 1.00 0.00 C ATOM 1102 C VAL A 66 -8.513 -0.252 2.111 1.00 0.00 C ATOM 1103 O VAL A 66 -8.871 0.737 1.511 1.00 0.00 O ATOM 1104 CB VAL A 66 -6.165 -1.095 1.768 1.00 0.00 C ATOM 1105 CG1 VAL A 66 -5.333 -2.161 1.050 1.00 0.00 C ATOM 1106 CG2 VAL A 66 -5.748 0.299 1.287 1.00 0.00 C ATOM 0 H VAL A 66 -7.566 -0.341 -0.451 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.002 -2.275 1.840 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.000 -1.165 2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.277 -2.007 1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.634 -3.150 1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.495 -2.086 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.694 0.461 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.905 0.375 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.348 1.054 1.795 1.00 0.00 H new ATOM 1116 N VAL A 67 -8.845 -0.448 3.354 1.00 0.00 N ATOM 1117 CA VAL A 67 -9.678 0.552 4.076 1.00 0.00 C ATOM 1118 C VAL A 67 -8.924 1.033 5.318 1.00 0.00 C ATOM 1119 O VAL A 67 -8.448 0.245 6.099 1.00 0.00 O ATOM 1120 CB VAL A 67 -10.950 -0.202 4.471 1.00 0.00 C ATOM 1121 CG1 VAL A 67 -11.930 0.763 5.139 1.00 0.00 C ATOM 1122 CG2 VAL A 67 -11.597 -0.799 3.219 1.00 0.00 C ATOM 0 H VAL A 67 -8.574 -1.263 3.905 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.907 1.430 3.472 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.697 -1.001 5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.836 0.225 5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.470 1.190 6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.184 1.563 4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.503 -1.336 3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.850 0.001 2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.899 -1.488 2.742 1.00 0.00 H new ATOM 1132 N VAL A 68 -8.810 2.316 5.503 1.00 0.00 N ATOM 1133 CA VAL A 68 -8.082 2.850 6.693 1.00 0.00 C ATOM 1134 C VAL A 68 -9.086 3.510 7.628 1.00 0.00 C ATOM 1135 O VAL A 68 -10.001 4.168 7.178 1.00 0.00 O ATOM 1136 CB VAL A 68 -7.106 3.883 6.129 1.00 0.00 C ATOM 1137 CG1 VAL A 68 -6.216 4.412 7.254 1.00 0.00 C ATOM 1138 CG2 VAL A 68 -6.230 3.230 5.055 1.00 0.00 C ATOM 0 H VAL A 68 -9.192 3.026 4.878 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.560 2.078 7.259 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.668 4.707 5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.520 5.148 6.852 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.836 4.879 8.019 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.656 3.587 7.694 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.535 3.968 4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.670 2.405 5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.861 2.852 4.251 1.00 0.00 H new ATOM 1148 N GLU A 69 -8.963 3.334 8.921 1.00 0.00 N ATOM 1149 CA GLU A 69 -9.982 3.967 9.807 1.00 0.00 C ATOM 1150 C GLU A 69 -9.589 5.390 10.218 1.00 0.00 C ATOM 1151 O GLU A 69 -8.730 5.605 11.049 1.00 0.00 O ATOM 1152 CB GLU A 69 -10.024 3.066 11.041 1.00 0.00 C ATOM 1153 CG GLU A 69 -10.550 1.684 10.652 1.00 0.00 C ATOM 1154 CD GLU A 69 -10.664 0.804 11.900 1.00 0.00 C ATOM 1155 OE1 GLU A 69 -10.177 1.215 12.942 1.00 0.00 O ATOM 1156 OE2 GLU A 69 -11.234 -0.269 11.793 1.00 0.00 O ATOM 0 H GLU A 69 -8.229 2.800 9.386 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.943 4.057 9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.027 2.978 11.473 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.664 3.508 11.804 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.524 1.777 10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.880 1.220 9.928 1.00 0.00 H new ATOM 1163 N LYS A 70 -10.250 6.354 9.632 1.00 0.00 N ATOM 1164 CA LYS A 70 -9.986 7.789 9.940 1.00 0.00 C ATOM 1165 C LYS A 70 -11.227 8.575 9.528 1.00 0.00 C ATOM 1166 O LYS A 70 -11.809 9.311 10.299 1.00 0.00 O ATOM 1167 CB LYS A 70 -8.785 8.203 9.072 1.00 0.00 C ATOM 1168 CG LYS A 70 -7.573 7.312 9.370 1.00 0.00 C ATOM 1169 CD LYS A 70 -6.314 7.918 8.737 1.00 0.00 C ATOM 1170 CE LYS A 70 -5.637 8.843 9.751 1.00 0.00 C ATOM 1171 NZ LYS A 70 -5.471 10.143 9.042 1.00 0.00 N ATOM 0 H LYS A 70 -10.980 6.201 8.936 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.774 7.969 10.994 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.048 8.128 8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.533 9.246 9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.438 7.214 10.447 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.742 6.309 8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.628 7.127 8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.577 8.475 7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.246 8.958 10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.675 8.442 10.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.123 10.861 9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.787 10.031 8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.387 10.446 8.654 1.00 0.00 H new ATOM 1185 N ARG A 71 -11.642 8.374 8.305 1.00 0.00 N ATOM 1186 CA ARG A 71 -12.861 9.045 7.775 1.00 0.00 C ATOM 1187 C ARG A 71 -12.753 10.567 7.898 1.00 0.00 C ATOM 1188 O ARG A 71 -12.002 11.089 8.697 1.00 0.00 O ATOM 1189 CB ARG A 71 -13.998 8.501 8.634 1.00 0.00 C ATOM 1190 CG ARG A 71 -15.292 8.520 7.829 1.00 0.00 C ATOM 1191 CD ARG A 71 -16.463 8.128 8.733 1.00 0.00 C ATOM 1192 NE ARG A 71 -17.629 7.994 7.816 1.00 0.00 N ATOM 1193 CZ ARG A 71 -18.545 7.093 8.054 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -19.530 7.363 8.866 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -18.475 5.923 7.480 1.00 0.00 N ATOM 0 H ARG A 71 -11.175 7.759 7.638 1.00 0.00 H new ATOM 0 HA ARG A 71 -13.014 8.847 6.714 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.772 7.485 8.956 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.108 9.104 9.536 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.458 9.513 7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.220 7.829 6.989 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.262 7.193 9.256 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.645 8.886 9.495 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.712 8.605 7.003 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.585 8.277 9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.245 6.660 9.052 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -17.705 5.712 6.845 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -19.190 5.220 7.666 1.00 0.00 H new ATOM 1209 N GLY A 72 -13.487 11.284 7.091 1.00 0.00 N ATOM 1210 CA GLY A 72 -13.418 12.772 7.139 1.00 0.00 C ATOM 1211 C GLY A 72 -12.287 13.243 6.224 1.00 0.00 C ATOM 1212 O GLY A 72 -12.459 14.127 5.408 1.00 0.00 O ATOM 0 H GLY A 72 -14.132 10.903 6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.366 13.204 6.820 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.242 13.109 8.161 1.00 0.00 H new ATOM 1216 N THR A 73 -11.133 12.649 6.351 1.00 0.00 N ATOM 1217 CA THR A 73 -9.985 13.044 5.489 1.00 0.00 C ATOM 1218 C THR A 73 -9.938 12.128 4.265 1.00 0.00 C ATOM 1219 O THR A 73 -10.504 11.052 4.267 1.00 0.00 O ATOM 1220 CB THR A 73 -8.733 12.830 6.352 1.00 0.00 C ATOM 1221 OG1 THR A 73 -8.464 11.438 6.444 1.00 0.00 O ATOM 1222 CG2 THR A 73 -8.947 13.399 7.759 1.00 0.00 C ATOM 0 H THR A 73 -10.935 11.903 7.018 1.00 0.00 H new ATOM 0 HA THR A 73 -10.062 14.074 5.139 1.00 0.00 H new ATOM 0 HB THR A 73 -7.891 13.346 5.890 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.665 11.295 6.992 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.050 13.239 8.357 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.152 14.467 7.692 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.792 12.896 8.230 1.00 0.00 H new ATOM 1230 N LYS A 74 -9.262 12.531 3.228 1.00 0.00 N ATOM 1231 CA LYS A 74 -9.181 11.659 2.022 1.00 0.00 C ATOM 1232 C LYS A 74 -7.713 11.467 1.627 1.00 0.00 C ATOM 1233 O LYS A 74 -7.117 10.449 1.915 1.00 0.00 O ATOM 1234 CB LYS A 74 -9.967 12.398 0.933 1.00 0.00 C ATOM 1235 CG LYS A 74 -10.922 11.416 0.255 1.00 0.00 C ATOM 1236 CD LYS A 74 -12.111 11.147 1.179 1.00 0.00 C ATOM 1237 CE LYS A 74 -13.084 10.186 0.494 1.00 0.00 C ATOM 1238 NZ LYS A 74 -12.628 8.827 0.899 1.00 0.00 N ATOM 0 H LYS A 74 -8.765 13.419 3.161 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.594 10.664 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.526 13.226 1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.283 12.825 0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.269 11.825 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.404 10.484 0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.764 10.720 2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.616 12.082 1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.110 10.370 0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.060 10.305 -0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.247 8.111 0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.650 8.679 0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.668 8.742 1.935 1.00 0.00 H new ATOM 1252 N THR A 75 -7.117 12.438 0.992 1.00 0.00 N ATOM 1253 CA THR A 75 -5.686 12.302 0.609 1.00 0.00 C ATOM 1254 C THR A 75 -4.820 12.319 1.859 1.00 0.00 C ATOM 1255 O THR A 75 -3.843 11.604 1.960 1.00 0.00 O ATOM 1256 CB THR A 75 -5.394 13.509 -0.277 1.00 0.00 C ATOM 1257 OG1 THR A 75 -6.392 13.606 -1.283 1.00 0.00 O ATOM 1258 CG2 THR A 75 -4.026 13.338 -0.932 1.00 0.00 C ATOM 0 H THR A 75 -7.559 13.317 0.723 1.00 0.00 H new ATOM 0 HA THR A 75 -5.476 11.368 0.088 1.00 0.00 H new ATOM 0 HB THR A 75 -5.396 14.416 0.328 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.208 14.382 -1.853 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.816 14.200 -1.566 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.260 13.260 -0.160 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.024 12.432 -1.539 1.00 0.00 H new ATOM 1266 N LYS A 76 -5.155 13.139 2.815 1.00 0.00 N ATOM 1267 CA LYS A 76 -4.331 13.204 4.051 1.00 0.00 C ATOM 1268 C LYS A 76 -4.138 11.802 4.611 1.00 0.00 C ATOM 1269 O LYS A 76 -3.049 11.429 4.993 1.00 0.00 O ATOM 1270 CB LYS A 76 -5.129 14.071 5.016 1.00 0.00 C ATOM 1271 CG LYS A 76 -5.264 15.468 4.420 1.00 0.00 C ATOM 1272 CD LYS A 76 -5.929 16.401 5.432 1.00 0.00 C ATOM 1273 CE LYS A 76 -6.165 17.768 4.787 1.00 0.00 C ATOM 1274 NZ LYS A 76 -7.646 17.906 4.712 1.00 0.00 N ATOM 0 H LYS A 76 -5.961 13.764 2.794 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.338 13.617 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.114 13.637 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.628 14.119 5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.282 15.853 4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.856 15.428 3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.876 15.977 5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.298 16.507 6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.723 18.567 5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.713 17.821 3.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.888 18.821 4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.038 17.135 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.048 17.859 5.670 1.00 0.00 H new ATOM 1288 N LEU A 77 -5.165 10.999 4.633 1.00 0.00 N ATOM 1289 CA LEU A 77 -4.979 9.616 5.132 1.00 0.00 C ATOM 1290 C LEU A 77 -3.988 8.917 4.210 1.00 0.00 C ATOM 1291 O LEU A 77 -3.098 8.213 4.647 1.00 0.00 O ATOM 1292 CB LEU A 77 -6.358 8.967 5.030 1.00 0.00 C ATOM 1293 CG LEU A 77 -6.301 7.559 5.618 1.00 0.00 C ATOM 1294 CD1 LEU A 77 -7.694 7.156 6.097 1.00 0.00 C ATOM 1295 CD2 LEU A 77 -5.826 6.581 4.542 1.00 0.00 C ATOM 0 H LEU A 77 -6.109 11.239 4.331 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.597 9.566 6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.095 9.567 5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.676 8.925 3.988 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.608 7.539 6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.658 6.151 6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.033 7.857 6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.387 7.172 5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.784 5.574 4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.521 6.598 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.834 6.873 4.197 1.00 0.00 H new ATOM 1307 N MET A 78 -4.145 9.109 2.926 1.00 0.00 N ATOM 1308 CA MET A 78 -3.217 8.455 1.962 1.00 0.00 C ATOM 1309 C MET A 78 -1.802 8.937 2.229 1.00 0.00 C ATOM 1310 O MET A 78 -0.866 8.163 2.235 1.00 0.00 O ATOM 1311 CB MET A 78 -3.699 8.889 0.582 1.00 0.00 C ATOM 1312 CG MET A 78 -5.088 8.308 0.348 1.00 0.00 C ATOM 1313 SD MET A 78 -5.633 8.686 -1.336 1.00 0.00 S ATOM 1314 CE MET A 78 -7.334 8.097 -1.158 1.00 0.00 C ATOM 0 H MET A 78 -4.873 9.688 2.507 1.00 0.00 H new ATOM 0 HA MET A 78 -3.209 7.368 2.048 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.728 9.977 0.516 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.009 8.541 -0.187 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.072 7.229 0.501 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.792 8.722 1.070 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.998 8.716 -1.761 1.00 0.00 H new ATOM 0 HE2 MET A 78 -7.398 7.062 -1.494 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.632 8.157 -0.111 1.00 0.00 H new ATOM 1324 N ILE A 79 -1.636 10.207 2.491 1.00 0.00 N ATOM 1325 CA ILE A 79 -0.262 10.694 2.800 1.00 0.00 C ATOM 1326 C ILE A 79 0.223 9.927 4.043 1.00 0.00 C ATOM 1327 O ILE A 79 1.327 9.420 4.084 1.00 0.00 O ATOM 1328 CB ILE A 79 -0.377 12.226 3.019 1.00 0.00 C ATOM 1329 CG1 ILE A 79 0.763 12.914 2.263 1.00 0.00 C ATOM 1330 CG2 ILE A 79 -0.273 12.614 4.506 1.00 0.00 C ATOM 1331 CD1 ILE A 79 0.400 13.049 0.782 1.00 0.00 C ATOM 0 H ILE A 79 -2.373 10.912 2.504 1.00 0.00 H new ATOM 0 HA ILE A 79 0.466 10.521 2.007 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.355 12.541 2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.953 13.898 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.682 12.337 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.359 13.696 4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.076 12.132 5.065 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.690 12.289 4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.216 13.539 0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.233 12.059 0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.507 13.645 0.683 1.00 0.00 H new ATOM 1343 N GLU A 80 -0.616 9.825 5.049 1.00 0.00 N ATOM 1344 CA GLU A 80 -0.218 9.071 6.272 1.00 0.00 C ATOM 1345 C GLU A 80 -0.018 7.594 5.926 1.00 0.00 C ATOM 1346 O GLU A 80 0.980 7.003 6.282 1.00 0.00 O ATOM 1347 CB GLU A 80 -1.380 9.248 7.252 1.00 0.00 C ATOM 1348 CG GLU A 80 -1.472 10.715 7.674 1.00 0.00 C ATOM 1349 CD GLU A 80 -0.165 11.135 8.350 1.00 0.00 C ATOM 1350 OE1 GLU A 80 0.574 10.258 8.766 1.00 0.00 O ATOM 1351 OE2 GLU A 80 0.075 12.328 8.442 1.00 0.00 O ATOM 0 H GLU A 80 -1.552 10.230 5.072 1.00 0.00 H new ATOM 0 HA GLU A 80 0.719 9.431 6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.314 8.933 6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.231 8.615 8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.662 11.343 6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.309 10.856 8.358 1.00 0.00 H new ATOM 1358 N LEU A 81 -0.939 6.987 5.221 1.00 0.00 N ATOM 1359 CA LEU A 81 -0.738 5.553 4.860 1.00 0.00 C ATOM 1360 C LEU A 81 0.530 5.430 4.013 1.00 0.00 C ATOM 1361 O LEU A 81 1.338 4.549 4.210 1.00 0.00 O ATOM 1362 CB LEU A 81 -1.975 5.157 4.055 1.00 0.00 C ATOM 1363 CG LEU A 81 -1.949 3.650 3.812 1.00 0.00 C ATOM 1364 CD1 LEU A 81 -2.483 2.925 5.049 1.00 0.00 C ATOM 1365 CD2 LEU A 81 -2.822 3.307 2.603 1.00 0.00 C ATOM 0 H LEU A 81 -1.804 7.412 4.886 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.618 4.908 5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.880 5.436 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.993 5.691 3.105 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.924 3.334 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.465 1.849 4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.858 3.165 5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.507 3.244 5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.801 2.231 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.847 3.624 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.440 3.821 1.721 1.00 0.00 H new ATOM 1377 N ALA A 82 0.733 6.344 3.103 1.00 0.00 N ATOM 1378 CA ALA A 82 1.974 6.317 2.279 1.00 0.00 C ATOM 1379 C ALA A 82 3.169 6.594 3.192 1.00 0.00 C ATOM 1380 O ALA A 82 4.259 6.103 2.989 1.00 0.00 O ATOM 1381 CB ALA A 82 1.805 7.441 1.255 1.00 0.00 C ATOM 0 H ALA A 82 0.091 7.109 2.895 1.00 0.00 H new ATOM 0 HA ALA A 82 2.140 5.359 1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.684 7.482 0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.919 7.251 0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.692 8.392 1.775 1.00 0.00 H new ATOM 1387 N ARG A 83 2.945 7.377 4.210 1.00 0.00 N ATOM 1388 CA ARG A 83 4.050 7.688 5.158 1.00 0.00 C ATOM 1389 C ARG A 83 4.600 6.371 5.721 1.00 0.00 C ATOM 1390 O ARG A 83 5.793 6.142 5.731 1.00 0.00 O ATOM 1391 CB ARG A 83 3.427 8.541 6.266 1.00 0.00 C ATOM 1392 CG ARG A 83 4.539 9.156 7.120 1.00 0.00 C ATOM 1393 CD ARG A 83 3.921 9.991 8.243 1.00 0.00 C ATOM 1394 NE ARG A 83 5.076 10.647 8.918 1.00 0.00 N ATOM 1395 CZ ARG A 83 5.074 10.796 10.215 1.00 0.00 C ATOM 1396 NH1 ARG A 83 4.892 9.761 10.989 1.00 0.00 N ATOM 1397 NH2 ARG A 83 5.254 11.979 10.737 1.00 0.00 N ATOM 0 H ARG A 83 2.049 7.813 4.426 1.00 0.00 H new ATOM 0 HA ARG A 83 4.875 8.220 4.684 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.810 9.327 5.831 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.773 7.929 6.887 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.166 8.369 7.541 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.183 9.780 6.501 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.224 10.730 7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.362 9.365 8.938 1.00 0.00 H new ATOM 0 HE ARG A 83 5.868 10.979 8.367 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.752 8.837 10.580 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.890 9.876 12.002 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.396 12.787 10.131 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.252 12.095 11.750 1.00 0.00 H new ATOM 1411 N LYS A 84 3.735 5.487 6.157 1.00 0.00 N ATOM 1412 CA LYS A 84 4.209 4.167 6.679 1.00 0.00 C ATOM 1413 C LYS A 84 4.602 3.238 5.521 1.00 0.00 C ATOM 1414 O LYS A 84 5.636 2.603 5.544 1.00 0.00 O ATOM 1415 CB LYS A 84 3.027 3.583 7.461 1.00 0.00 C ATOM 1416 CG LYS A 84 3.465 3.301 8.901 1.00 0.00 C ATOM 1417 CD LYS A 84 3.587 4.622 9.667 1.00 0.00 C ATOM 1418 CE LYS A 84 4.030 4.342 11.107 1.00 0.00 C ATOM 1419 NZ LYS A 84 5.203 5.233 11.332 1.00 0.00 N ATOM 0 H LYS A 84 2.724 5.622 6.174 1.00 0.00 H new ATOM 0 HA LYS A 84 5.092 4.277 7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.190 4.281 7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.680 2.665 6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.741 2.650 9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.420 2.776 8.905 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.308 5.274 9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.631 5.145 9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.230 4.558 11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.299 3.294 11.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.562 5.097 12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.952 5.000 10.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.915 6.224 11.206 1.00 0.00 H new ATOM 1433 N ILE A 85 3.765 3.144 4.515 1.00 0.00 N ATOM 1434 CA ILE A 85 4.069 2.239 3.357 1.00 0.00 C ATOM 1435 C ILE A 85 5.300 2.701 2.572 1.00 0.00 C ATOM 1436 O ILE A 85 6.107 1.900 2.146 1.00 0.00 O ATOM 1437 CB ILE A 85 2.827 2.298 2.469 1.00 0.00 C ATOM 1438 CG1 ILE A 85 1.619 1.778 3.249 1.00 0.00 C ATOM 1439 CG2 ILE A 85 3.040 1.435 1.223 1.00 0.00 C ATOM 1440 CD1 ILE A 85 0.383 1.816 2.350 1.00 0.00 C ATOM 0 H ILE A 85 2.884 3.654 4.444 1.00 0.00 H new ATOM 0 HA ILE A 85 4.295 1.230 3.702 1.00 0.00 H new ATOM 0 HB ILE A 85 2.650 3.330 2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.803 0.759 3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.455 2.388 4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.152 1.480 0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.900 1.807 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.221 0.402 1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.480 1.446 2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.197 2.841 2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.550 1.188 1.475 1.00 0.00 H new ATOM 1452 N ALA A 86 5.449 3.976 2.362 1.00 0.00 N ATOM 1453 CA ALA A 86 6.624 4.465 1.586 1.00 0.00 C ATOM 1454 C ALA A 86 7.910 4.004 2.253 1.00 0.00 C ATOM 1455 O ALA A 86 8.899 3.738 1.595 1.00 0.00 O ATOM 1456 CB ALA A 86 6.522 5.989 1.590 1.00 0.00 C ATOM 0 H ALA A 86 4.812 4.701 2.692 1.00 0.00 H new ATOM 0 HA ALA A 86 6.634 4.077 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.359 6.411 1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.586 6.292 1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.548 6.353 2.617 1.00 0.00 H new ATOM 1462 N GLU A 87 7.895 3.859 3.546 1.00 0.00 N ATOM 1463 CA GLU A 87 9.125 3.357 4.201 1.00 0.00 C ATOM 1464 C GLU A 87 9.282 1.901 3.777 1.00 0.00 C ATOM 1465 O GLU A 87 10.336 1.470 3.370 1.00 0.00 O ATOM 1466 CB GLU A 87 8.867 3.467 5.706 1.00 0.00 C ATOM 1467 CG GLU A 87 10.139 3.094 6.471 1.00 0.00 C ATOM 1468 CD GLU A 87 9.860 3.096 7.976 1.00 0.00 C ATOM 1469 OE1 GLU A 87 8.727 3.353 8.353 1.00 0.00 O ATOM 1470 OE2 GLU A 87 10.785 2.840 8.729 1.00 0.00 O ATOM 0 H GLU A 87 7.107 4.060 4.161 1.00 0.00 H new ATOM 0 HA GLU A 87 10.029 3.906 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.562 4.482 5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.049 2.806 5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.487 2.110 6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.935 3.802 6.239 1.00 0.00 H new ATOM 1477 N ILE A 88 8.254 1.123 3.981 1.00 0.00 N ATOM 1478 CA ILE A 88 8.408 -0.339 3.694 1.00 0.00 C ATOM 1479 C ILE A 88 8.975 -0.523 2.270 1.00 0.00 C ATOM 1480 O ILE A 88 9.998 -1.163 2.117 1.00 0.00 O ATOM 1481 CB ILE A 88 7.023 -0.991 3.844 1.00 0.00 C ATOM 1482 CG1 ILE A 88 6.303 -0.479 5.105 1.00 0.00 C ATOM 1483 CG2 ILE A 88 7.221 -2.503 3.998 1.00 0.00 C ATOM 1484 CD1 ILE A 88 7.240 -0.544 6.316 1.00 0.00 C ATOM 0 H ILE A 88 7.340 1.420 4.323 1.00 0.00 H new ATOM 0 HA ILE A 88 9.104 -0.813 4.387 1.00 0.00 H new ATOM 0 HB ILE A 88 6.424 -0.746 2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.969 0.547 4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.413 -1.079 5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.251 -2.988 4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.726 -2.895 3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.827 -2.702 4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.718 -0.179 7.200 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.553 -1.575 6.479 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.117 0.076 6.131 1.00 0.00 H new ATOM 1496 N ARG A 89 8.387 0.026 1.222 1.00 0.00 N ATOM 1497 CA ARG A 89 9.028 -0.169 -0.126 1.00 0.00 C ATOM 1498 C ARG A 89 10.464 0.379 -0.053 1.00 0.00 C ATOM 1499 O ARG A 89 11.407 -0.207 -0.547 1.00 0.00 O ATOM 1500 CB ARG A 89 8.162 0.616 -1.138 1.00 0.00 C ATOM 1501 CG ARG A 89 8.441 2.125 -1.065 1.00 0.00 C ATOM 1502 CD ARG A 89 7.532 2.862 -2.045 1.00 0.00 C ATOM 1503 NE ARG A 89 8.340 4.024 -2.514 1.00 0.00 N ATOM 1504 CZ ARG A 89 9.249 3.870 -3.450 1.00 0.00 C ATOM 1505 NH1 ARG A 89 9.613 2.674 -3.840 1.00 0.00 N ATOM 1506 NH2 ARG A 89 9.798 4.922 -3.994 1.00 0.00 N ATOM 0 H ARG A 89 7.529 0.577 1.238 1.00 0.00 H new ATOM 0 HA ARG A 89 9.083 -1.214 -0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.363 0.256 -2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.107 0.430 -0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.270 2.488 -0.052 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.486 2.324 -1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.244 2.219 -2.877 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.612 3.190 -1.561 1.00 0.00 H new ATOM 0 HE ARG A 89 8.186 4.946 -2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.190 1.848 -3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.320 2.568 -4.568 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.521 5.856 -3.692 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.504 4.810 -4.721 1.00 0.00 H new ATOM 1520 N GLU A 90 10.601 1.508 0.577 1.00 0.00 N ATOM 1521 CA GLU A 90 11.940 2.141 0.725 1.00 0.00 C ATOM 1522 C GLU A 90 12.871 1.175 1.458 1.00 0.00 C ATOM 1523 O GLU A 90 14.060 1.136 1.215 1.00 0.00 O ATOM 1524 CB GLU A 90 11.714 3.413 1.546 1.00 0.00 C ATOM 1525 CG GLU A 90 13.041 4.159 1.705 1.00 0.00 C ATOM 1526 CD GLU A 90 13.481 4.719 0.352 1.00 0.00 C ATOM 1527 OE1 GLU A 90 12.626 4.898 -0.499 1.00 0.00 O ATOM 1528 OE2 GLU A 90 14.665 4.960 0.190 1.00 0.00 O ATOM 0 H GLU A 90 9.833 2.027 1.002 1.00 0.00 H new ATOM 0 HA GLU A 90 12.399 2.378 -0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.982 4.052 1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.307 3.160 2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 90 12.930 4.969 2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 90 13.804 3.486 2.096 1.00 0.00 H new ATOM 1535 N GLN A 91 12.329 0.376 2.335 1.00 0.00 N ATOM 1536 CA GLN A 91 13.180 -0.613 3.060 1.00 0.00 C ATOM 1537 C GLN A 91 13.614 -1.717 2.097 1.00 0.00 C ATOM 1538 O GLN A 91 14.697 -2.258 2.199 1.00 0.00 O ATOM 1539 CB GLN A 91 12.315 -1.179 4.189 1.00 0.00 C ATOM 1540 CG GLN A 91 12.145 -0.122 5.285 1.00 0.00 C ATOM 1541 CD GLN A 91 11.237 -0.668 6.389 1.00 0.00 C ATOM 1542 OE1 GLN A 91 10.391 -1.503 6.138 1.00 0.00 O ATOM 1543 NE2 GLN A 91 11.380 -0.230 7.611 1.00 0.00 N ATOM 0 H GLN A 91 11.339 0.364 2.581 1.00 0.00 H new ATOM 0 HA GLN A 91 14.084 -0.156 3.462 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.340 -1.475 3.801 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.779 -2.075 4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 91 13.117 0.146 5.699 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.716 0.787 4.864 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.090 0.471 7.822 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.781 -0.589 8.355 1.00 0.00 H new ATOM 1552 N LYS A 92 12.772 -2.048 1.158 1.00 0.00 N ATOM 1553 CA LYS A 92 13.128 -3.114 0.177 1.00 0.00 C ATOM 1554 C LYS A 92 14.323 -2.670 -0.661 1.00 0.00 C ATOM 1555 O LYS A 92 15.187 -3.456 -1.000 1.00 0.00 O ATOM 1556 CB LYS A 92 11.901 -3.267 -0.721 1.00 0.00 C ATOM 1557 CG LYS A 92 12.116 -4.450 -1.668 1.00 0.00 C ATOM 1558 CD LYS A 92 11.098 -4.385 -2.808 1.00 0.00 C ATOM 1559 CE LYS A 92 11.587 -3.389 -3.864 1.00 0.00 C ATOM 1560 NZ LYS A 92 11.376 -4.075 -5.170 1.00 0.00 N ATOM 0 H LYS A 92 11.852 -1.627 1.027 1.00 0.00 H new ATOM 0 HA LYS A 92 13.394 -4.048 0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 92 11.010 -3.428 -0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.737 -2.353 -1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.129 -4.428 -2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 92 12.009 -5.389 -1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.969 -5.372 -3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.124 -4.079 -2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.027 -2.455 -3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.638 -3.140 -3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.426 -3.378 -5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.113 -4.796 -5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.441 -4.531 -5.176 1.00 0.00 H new ATOM 1574 N ARG A 93 14.366 -1.416 -1.011 1.00 0.00 N ATOM 1575 CA ARG A 93 15.489 -0.910 -1.845 1.00 0.00 C ATOM 1576 C ARG A 93 16.824 -1.042 -1.113 1.00 0.00 C ATOM 1577 O ARG A 93 17.826 -1.406 -1.696 1.00 0.00 O ATOM 1578 CB ARG A 93 15.146 0.558 -2.088 1.00 0.00 C ATOM 1579 CG ARG A 93 13.862 0.649 -2.914 1.00 0.00 C ATOM 1580 CD ARG A 93 13.541 2.117 -3.199 1.00 0.00 C ATOM 1581 NE ARG A 93 14.575 2.553 -4.177 1.00 0.00 N ATOM 1582 CZ ARG A 93 14.275 2.656 -5.442 1.00 0.00 C ATOM 1583 NH1 ARG A 93 13.538 1.743 -6.016 1.00 0.00 N ATOM 1584 NH2 ARG A 93 14.713 3.671 -6.135 1.00 0.00 N ATOM 0 H ARG A 93 13.669 -0.717 -0.754 1.00 0.00 H new ATOM 0 HA ARG A 93 15.601 -1.473 -2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 93 15.017 1.075 -1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 93 15.964 1.052 -2.612 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.980 0.103 -3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.037 0.183 -2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.537 2.229 -3.609 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.582 2.714 -2.288 1.00 0.00 H new ATOM 0 HE ARG A 93 15.519 2.771 -3.858 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.197 0.949 -5.475 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.304 1.824 -7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.290 4.383 -5.687 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.479 3.752 -7.124 1.00 0.00 H new ATOM 1598 N GLU A 94 16.856 -0.744 0.156 1.00 0.00 N ATOM 1599 CA GLU A 94 18.142 -0.849 0.904 1.00 0.00 C ATOM 1600 C GLU A 94 18.547 -2.317 1.073 1.00 0.00 C ATOM 1601 O GLU A 94 19.680 -2.686 0.831 1.00 0.00 O ATOM 1602 CB GLU A 94 17.862 -0.205 2.262 1.00 0.00 C ATOM 1603 CG GLU A 94 19.171 -0.068 3.041 1.00 0.00 C ATOM 1604 CD GLU A 94 20.042 1.006 2.388 1.00 0.00 C ATOM 1605 OE1 GLU A 94 19.488 1.869 1.726 1.00 0.00 O ATOM 1606 OE2 GLU A 94 21.248 0.950 2.561 1.00 0.00 O ATOM 0 H GLU A 94 16.054 -0.434 0.705 1.00 0.00 H new ATOM 0 HA GLU A 94 18.963 -0.359 0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.404 0.775 2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.153 -0.812 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.964 0.197 4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.700 -1.021 3.055 1.00 0.00 H new