USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 723 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 64 SER OG : rot 169:sc= 2.39 USER MOD Set 1.2: A 67 SER OG : rot 61:sc= 1.24 USER MOD Set 2.1: A 4 TYR OH : rot 172:sc= 1.17 USER MOD Set 2.2: A 54 GLN : amide:sc= 0.843 K(o=2,f=0.48) USER MOD Single : A 1 MET CE :methyl -118:sc= 0 (180deg=-0.201) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0466 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.98 K(o=0.98,f=-0.015) USER MOD Single : A 13 GLN : amide:sc= 1.55 K(o=1.5,f=-0.99) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.788 K(o=0.79,f=-1.8!) USER MOD Single : A 23 MET CE :methyl 164:sc= 0 (180deg=-0.35) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0.794 (180deg=0.564) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.28) USER MOD Single : A 35 LYS NZ :NH3+ 123:sc= 1.27 (180deg=0.0318) USER MOD Single : A 36 ASN : amide:sc= 1.08 K(o=1.1,f=-2.4!) USER MOD Single : A 51 ASN : amide:sc= 0.87 K(o=0.87,f=-5.2!) USER MOD Single : A 55 SER OG : rot -137:sc= 0.35 USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= 1.25 (180deg=1.16) USER MOD Single : A 62 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0611 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 7:sc= 0.932 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 83 HIS : no HE2:sc= 0.563 K(o=0.68,f=-4.6!) USER MOD Single : A 84 HIS : no HE2:sc= 0.641 K(o=0.64,f=-2!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.404 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0432 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.665 -13.348 -0.384 1.00 0.00 N ATOM 2 CA MET A 1 -5.584 -13.652 0.588 1.00 0.00 C ATOM 3 C MET A 1 -6.191 -13.903 1.972 1.00 0.00 C ATOM 4 O MET A 1 -7.201 -13.297 2.332 1.00 0.00 O ATOM 5 CB MET A 1 -4.535 -12.521 0.621 1.00 0.00 C ATOM 6 CG MET A 1 -3.249 -12.860 1.377 1.00 0.00 C ATOM 7 SD MET A 1 -1.976 -11.584 1.180 1.00 0.00 S ATOM 8 CE MET A 1 -0.750 -12.228 2.339 1.00 0.00 C ATOM 0 H1 MET A 1 -6.812 -14.167 -1.008 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.546 -13.142 0.129 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.396 -12.522 -0.955 1.00 0.00 H new ATOM 0 HA MET A 1 -5.065 -14.557 0.272 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.277 -12.254 -0.404 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.986 -11.640 1.077 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.475 -12.984 2.436 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.862 -13.814 1.020 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.591 -11.505 3.139 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.108 -13.166 2.763 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.190 -12.402 1.815 1.00 0.00 H new ATOM 20 N LEU A 2 -5.585 -14.803 2.748 1.00 0.00 N ATOM 21 CA LEU A 2 -6.038 -15.235 4.068 1.00 0.00 C ATOM 22 C LEU A 2 -4.828 -15.366 4.989 1.00 0.00 C ATOM 23 O LEU A 2 -3.687 -15.430 4.517 1.00 0.00 O ATOM 24 CB LEU A 2 -6.729 -16.613 3.975 1.00 0.00 C ATOM 25 CG LEU A 2 -8.095 -16.640 3.269 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.594 -18.087 3.206 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.137 -15.782 3.994 1.00 0.00 C ATOM 0 H LEU A 2 -4.726 -15.271 2.459 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.744 -14.500 4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.060 -17.297 3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.858 -17.001 4.985 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.963 -16.228 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.563 -18.116 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.880 -18.694 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.695 -18.481 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.085 -15.832 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.273 -16.155 5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.795 -14.748 4.030 1.00 0.00 H new ATOM 39 N GLN A 3 -5.108 -15.475 6.288 1.00 0.00 N ATOM 40 CA GLN A 3 -4.173 -15.874 7.323 1.00 0.00 C ATOM 41 C GLN A 3 -4.632 -17.238 7.835 1.00 0.00 C ATOM 42 O GLN A 3 -5.826 -17.447 8.070 1.00 0.00 O ATOM 43 CB GLN A 3 -4.202 -14.835 8.456 1.00 0.00 C ATOM 44 CG GLN A 3 -3.313 -15.203 9.652 1.00 0.00 C ATOM 45 CD GLN A 3 -3.392 -14.156 10.761 1.00 0.00 C ATOM 46 OE1 GLN A 3 -3.981 -14.386 11.815 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.803 -12.991 10.560 1.00 0.00 N ATOM 0 H GLN A 3 -6.038 -15.277 6.657 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.153 -15.935 6.943 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.884 -13.870 8.061 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.229 -14.715 8.801 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.617 -16.173 10.046 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.280 -15.303 9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.317 -12.810 9.682 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.834 -12.272 11.283 1.00 0.00 H new ATOM 56 N TYR A 4 -3.679 -18.135 8.067 1.00 0.00 N ATOM 57 CA TYR A 4 -3.846 -19.382 8.797 1.00 0.00 C ATOM 58 C TYR A 4 -2.911 -19.322 10.008 1.00 0.00 C ATOM 59 O TYR A 4 -1.857 -18.679 9.970 1.00 0.00 O ATOM 60 CB TYR A 4 -3.459 -20.593 7.923 1.00 0.00 C ATOM 61 CG TYR A 4 -4.512 -21.196 6.999 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.464 -20.407 6.322 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.501 -22.589 6.781 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.397 -20.996 5.450 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.430 -23.188 5.910 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.385 -22.392 5.239 1.00 0.00 C ATOM 67 OH TYR A 4 -7.280 -22.953 4.382 1.00 0.00 O ATOM 0 H TYR A 4 -2.724 -18.003 7.734 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.888 -19.501 9.093 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.609 -20.298 7.307 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.112 -21.383 8.588 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.477 -19.338 6.475 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.772 -23.203 7.288 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.123 -20.380 4.941 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.413 -24.257 5.754 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.058 -23.898 4.250 1.00 0.00 H new ATOM 77 N ARG A 5 -3.255 -20.071 11.051 1.00 0.00 N ATOM 78 CA ARG A 5 -2.387 -20.407 12.174 1.00 0.00 C ATOM 79 C ARG A 5 -2.462 -21.922 12.289 1.00 0.00 C ATOM 80 O ARG A 5 -3.550 -22.480 12.131 1.00 0.00 O ATOM 81 CB ARG A 5 -2.895 -19.709 13.447 1.00 0.00 C ATOM 82 CG ARG A 5 -1.959 -19.833 14.666 1.00 0.00 C ATOM 83 CD ARG A 5 -2.743 -19.436 15.925 1.00 0.00 C ATOM 84 NE ARG A 5 -1.923 -19.408 17.149 1.00 0.00 N ATOM 85 CZ ARG A 5 -2.399 -19.207 18.385 1.00 0.00 C ATOM 86 NH1 ARG A 5 -3.699 -19.017 18.604 1.00 0.00 N ATOM 87 NH2 ARG A 5 -1.549 -19.198 19.401 1.00 0.00 N ATOM 0 H ARG A 5 -4.186 -20.478 11.140 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.358 -20.078 12.033 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -3.048 -18.652 13.229 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.868 -20.124 13.709 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.589 -20.854 14.757 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.089 -19.188 14.543 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.185 -18.451 15.772 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -3.566 -20.136 16.066 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.918 -19.552 17.048 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.354 -19.023 17.822 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.039 -18.866 19.554 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.553 -19.342 19.234 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.890 -19.047 20.350 1.00 0.00 H new ATOM 101 N ILE A 6 -1.342 -22.590 12.537 1.00 0.00 N ATOM 102 CA ILE A 6 -1.273 -24.040 12.645 1.00 0.00 C ATOM 103 C ILE A 6 -0.515 -24.345 13.933 1.00 0.00 C ATOM 104 O ILE A 6 0.432 -23.636 14.282 1.00 0.00 O ATOM 105 CB ILE A 6 -0.618 -24.677 11.391 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.264 -24.238 10.055 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.694 -26.214 11.475 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.644 -22.996 9.399 1.00 0.00 C ATOM 0 H ILE A 6 -0.441 -22.130 12.671 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.269 -24.481 12.688 1.00 0.00 H new ATOM 0 HB ILE A 6 0.414 -24.325 11.392 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.202 -25.068 9.351 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.323 -24.046 10.229 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.231 -26.650 10.590 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.167 -26.556 12.366 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.738 -26.524 11.529 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.170 -22.774 8.470 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.730 -22.146 10.076 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.408 -23.185 9.185 1.00 0.00 H new ATOM 120 N ILE A 7 -0.922 -25.406 14.621 1.00 0.00 N ATOM 121 CA ILE A 7 -0.343 -25.886 15.865 1.00 0.00 C ATOM 122 C ILE A 7 -0.142 -27.390 15.652 1.00 0.00 C ATOM 123 O ILE A 7 -1.021 -28.040 15.082 1.00 0.00 O ATOM 124 CB ILE A 7 -1.302 -25.570 17.041 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.696 -24.075 17.172 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.716 -26.075 18.368 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.551 -23.124 17.542 1.00 0.00 C ATOM 0 H ILE A 7 -1.704 -25.982 14.308 1.00 0.00 H new ATOM 0 HA ILE A 7 0.603 -25.408 16.117 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.224 -26.102 16.807 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.128 -23.746 16.227 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.477 -23.987 17.927 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.404 -25.844 19.181 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.568 -27.154 18.313 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.241 -25.587 18.552 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.932 -22.105 17.608 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.131 -23.418 18.504 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.224 -23.173 16.777 1.00 0.00 H new ATOM 139 N VAL A 8 1.001 -27.943 16.063 1.00 0.00 N ATOM 140 CA VAL A 8 1.375 -29.332 15.772 1.00 0.00 C ATOM 141 C VAL A 8 2.011 -29.946 17.020 1.00 0.00 C ATOM 142 O VAL A 8 2.664 -29.230 17.781 1.00 0.00 O ATOM 143 CB VAL A 8 2.348 -29.398 14.566 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.295 -30.781 13.905 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.098 -28.352 13.464 1.00 0.00 C ATOM 0 H VAL A 8 1.698 -27.438 16.610 1.00 0.00 H new ATOM 0 HA VAL A 8 0.484 -29.900 15.504 1.00 0.00 H new ATOM 0 HB VAL A 8 3.324 -29.185 15.003 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.984 -30.808 13.061 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.580 -31.542 14.631 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.282 -30.977 13.553 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.830 -28.482 12.667 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.094 -28.482 13.060 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.193 -27.351 13.884 1.00 0.00 H new ATOM 155 N ASP A 9 1.880 -31.259 17.213 1.00 0.00 N ATOM 156 CA ASP A 9 2.527 -32.018 18.283 1.00 0.00 C ATOM 157 C ASP A 9 2.931 -33.401 17.762 1.00 0.00 C ATOM 158 O ASP A 9 2.384 -33.869 16.758 1.00 0.00 O ATOM 159 CB ASP A 9 1.576 -32.160 19.481 1.00 0.00 C ATOM 160 CG ASP A 9 2.244 -32.841 20.688 1.00 0.00 C ATOM 161 OD1 ASP A 9 3.454 -32.624 20.925 1.00 0.00 O ATOM 162 OD2 ASP A 9 1.551 -33.582 21.420 1.00 0.00 O ATOM 0 H ASP A 9 1.301 -31.842 16.609 1.00 0.00 H new ATOM 0 HA ASP A 9 3.420 -31.485 18.610 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.220 -31.173 19.776 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.702 -32.738 19.180 1.00 0.00 H new ATOM 167 N GLY A 10 3.896 -34.044 18.422 1.00 0.00 N ATOM 168 CA GLY A 10 4.443 -35.346 18.062 1.00 0.00 C ATOM 169 C GLY A 10 5.952 -35.359 18.281 1.00 0.00 C ATOM 170 O GLY A 10 6.482 -34.559 19.059 1.00 0.00 O ATOM 0 H GLY A 10 4.333 -33.652 19.256 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.974 -36.125 18.663 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.217 -35.568 17.019 1.00 0.00 H new ATOM 174 N ARG A 11 6.670 -36.232 17.568 1.00 0.00 N ATOM 175 CA ARG A 11 8.103 -36.050 17.348 1.00 0.00 C ATOM 176 C ARG A 11 8.233 -34.955 16.291 1.00 0.00 C ATOM 177 O ARG A 11 8.237 -35.252 15.095 1.00 0.00 O ATOM 178 CB ARG A 11 8.776 -37.372 16.936 1.00 0.00 C ATOM 179 CG ARG A 11 10.307 -37.220 16.898 1.00 0.00 C ATOM 180 CD ARG A 11 11.030 -38.495 16.449 1.00 0.00 C ATOM 181 NE ARG A 11 10.757 -38.831 15.036 1.00 0.00 N ATOM 182 CZ ARG A 11 10.150 -39.931 14.571 1.00 0.00 C ATOM 183 NH1 ARG A 11 9.637 -40.844 15.392 1.00 0.00 N ATOM 184 NH2 ARG A 11 10.064 -40.097 13.257 1.00 0.00 N ATOM 0 H ARG A 11 6.281 -37.070 17.135 1.00 0.00 H new ATOM 0 HA ARG A 11 8.620 -35.750 18.260 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.502 -38.159 17.639 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.413 -37.680 15.956 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.568 -36.405 16.223 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.662 -36.939 17.889 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.104 -38.369 16.588 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.722 -39.326 17.083 1.00 0.00 H new ATOM 0 HE ARG A 11 11.064 -38.152 14.339 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.701 -40.715 16.402 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.180 -41.673 15.011 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.455 -39.396 12.628 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.607 -40.926 12.876 1.00 0.00 H new ATOM 198 N VAL A 12 8.257 -33.696 16.723 1.00 0.00 N ATOM 199 CA VAL A 12 8.173 -32.530 15.842 1.00 0.00 C ATOM 200 C VAL A 12 9.228 -31.471 16.214 1.00 0.00 C ATOM 201 O VAL A 12 9.093 -30.300 15.859 1.00 0.00 O ATOM 202 CB VAL A 12 6.722 -31.992 15.817 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.740 -33.022 15.235 1.00 0.00 C ATOM 204 CG2 VAL A 12 6.213 -31.544 17.197 1.00 0.00 C ATOM 0 H VAL A 12 8.337 -33.452 17.710 1.00 0.00 H new ATOM 0 HA VAL A 12 8.414 -32.825 14.821 1.00 0.00 H new ATOM 0 HB VAL A 12 6.761 -31.115 15.171 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.733 -32.605 15.235 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.032 -33.266 14.213 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.758 -33.926 15.843 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.190 -31.178 17.106 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.237 -32.389 17.885 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.851 -30.747 17.579 1.00 0.00 H new ATOM 214 N GLN A 13 10.279 -31.875 16.937 1.00 0.00 N ATOM 215 CA GLN A 13 11.444 -31.048 17.229 1.00 0.00 C ATOM 216 C GLN A 13 12.688 -31.923 17.116 1.00 0.00 C ATOM 217 O GLN A 13 12.618 -33.128 17.388 1.00 0.00 O ATOM 218 CB GLN A 13 11.383 -30.456 18.647 1.00 0.00 C ATOM 219 CG GLN A 13 10.075 -29.718 18.964 1.00 0.00 C ATOM 220 CD GLN A 13 10.172 -28.781 20.170 1.00 0.00 C ATOM 221 OE1 GLN A 13 11.242 -28.409 20.650 1.00 0.00 O ATOM 222 NE2 GLN A 13 9.033 -28.355 20.681 1.00 0.00 N ATOM 0 H GLN A 13 10.339 -32.809 17.342 1.00 0.00 H new ATOM 0 HA GLN A 13 11.469 -30.221 16.520 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.518 -31.260 19.371 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.217 -29.766 18.777 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.773 -29.140 18.090 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.290 -30.452 19.148 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.147 -28.665 20.281 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.038 -27.716 21.476 1.00 0.00 H new ATOM 231 N GLY A 14 13.826 -31.325 16.778 1.00 0.00 N ATOM 232 CA GLY A 14 15.069 -32.042 16.557 1.00 0.00 C ATOM 233 C GLY A 14 14.968 -32.966 15.340 1.00 0.00 C ATOM 234 O GLY A 14 15.578 -34.038 15.336 1.00 0.00 O ATOM 0 H GLY A 14 13.908 -30.316 16.649 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.881 -31.330 16.410 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.316 -32.628 17.442 1.00 0.00 H new ATOM 238 N VAL A 15 14.185 -32.580 14.331 1.00 0.00 N ATOM 239 CA VAL A 15 13.879 -33.374 13.141 1.00 0.00 C ATOM 240 C VAL A 15 13.967 -32.526 11.862 1.00 0.00 C ATOM 241 O VAL A 15 13.789 -33.063 10.765 1.00 0.00 O ATOM 242 CB VAL A 15 12.507 -34.076 13.288 1.00 0.00 C ATOM 243 CG1 VAL A 15 12.554 -35.211 14.319 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.359 -33.119 13.639 1.00 0.00 C ATOM 0 H VAL A 15 13.728 -31.668 14.321 1.00 0.00 H new ATOM 0 HA VAL A 15 14.634 -34.155 13.048 1.00 0.00 H new ATOM 0 HB VAL A 15 12.300 -34.489 12.301 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.571 -35.677 14.392 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.287 -35.955 14.008 1.00 0.00 H new ATOM 0 HG13 VAL A 15 12.837 -34.808 15.291 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.430 -33.682 13.726 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.574 -32.625 14.587 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.257 -32.369 12.854 1.00 0.00 H new ATOM 254 N GLY A 16 14.260 -31.230 11.966 1.00 0.00 N ATOM 255 CA GLY A 16 14.303 -30.309 10.850 1.00 0.00 C ATOM 256 C GLY A 16 12.913 -29.739 10.586 1.00 0.00 C ATOM 257 O GLY A 16 12.628 -29.396 9.439 1.00 0.00 O ATOM 0 H GLY A 16 14.479 -30.787 12.858 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.002 -29.500 11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.670 -30.821 9.960 1.00 0.00 H new ATOM 261 N PHE A 17 12.028 -29.684 11.587 1.00 0.00 N ATOM 262 CA PHE A 17 10.659 -29.233 11.384 1.00 0.00 C ATOM 263 C PHE A 17 10.652 -27.767 10.951 1.00 0.00 C ATOM 264 O PHE A 17 9.997 -27.428 9.965 1.00 0.00 O ATOM 265 CB PHE A 17 9.797 -29.453 12.637 1.00 0.00 C ATOM 266 CG PHE A 17 8.319 -29.639 12.329 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.526 -28.560 11.892 1.00 0.00 C ATOM 268 CD2 PHE A 17 7.736 -30.914 12.450 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.171 -28.760 11.568 1.00 0.00 C ATOM 270 CE2 PHE A 17 6.384 -31.116 12.123 1.00 0.00 C ATOM 271 CZ PHE A 17 5.601 -30.041 11.674 1.00 0.00 C ATOM 0 H PHE A 17 12.243 -29.949 12.548 1.00 0.00 H new ATOM 0 HA PHE A 17 10.215 -29.832 10.589 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.162 -30.330 13.171 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.917 -28.600 13.305 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.960 -27.575 11.805 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.333 -31.745 12.797 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.568 -27.928 11.237 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.947 -32.099 12.217 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.565 -30.197 11.411 1.00 0.00 H new ATOM 281 N ARG A 18 11.397 -26.885 11.630 1.00 0.00 N ATOM 282 CA ARG A 18 11.423 -25.468 11.259 1.00 0.00 C ATOM 283 C ARG A 18 11.992 -25.290 9.853 1.00 0.00 C ATOM 284 O ARG A 18 11.439 -24.514 9.075 1.00 0.00 O ATOM 285 CB ARG A 18 12.222 -24.676 12.303 1.00 0.00 C ATOM 286 CG ARG A 18 11.435 -24.521 13.615 1.00 0.00 C ATOM 287 CD ARG A 18 12.326 -24.035 14.760 1.00 0.00 C ATOM 288 NE ARG A 18 13.178 -25.112 15.277 1.00 0.00 N ATOM 289 CZ ARG A 18 14.022 -25.005 16.305 1.00 0.00 C ATOM 290 NH1 ARG A 18 14.262 -23.824 16.879 1.00 0.00 N ATOM 291 NH2 ARG A 18 14.627 -26.091 16.755 1.00 0.00 N ATOM 0 H ARG A 18 11.983 -27.126 12.430 1.00 0.00 H new ATOM 0 HA ARG A 18 10.405 -25.079 11.244 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.166 -25.183 12.501 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.466 -23.691 11.905 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.617 -23.816 13.467 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.986 -25.477 13.885 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.950 -23.212 14.412 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.704 -23.644 15.565 1.00 0.00 H new ATOM 0 HE ARG A 18 13.120 -26.018 14.812 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.797 -22.985 16.533 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.910 -23.761 17.664 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.446 -26.994 16.317 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.275 -26.026 17.540 1.00 0.00 H new ATOM 305 N TYR A 19 13.048 -26.031 9.502 1.00 0.00 N ATOM 306 CA TYR A 19 13.627 -25.996 8.164 1.00 0.00 C ATOM 307 C TYR A 19 12.607 -26.462 7.120 1.00 0.00 C ATOM 308 O TYR A 19 12.445 -25.812 6.087 1.00 0.00 O ATOM 309 CB TYR A 19 14.895 -26.861 8.120 1.00 0.00 C ATOM 310 CG TYR A 19 15.488 -26.991 6.730 1.00 0.00 C ATOM 311 CD1 TYR A 19 16.206 -25.919 6.165 1.00 0.00 C ATOM 312 CD2 TYR A 19 15.284 -28.168 5.982 1.00 0.00 C ATOM 313 CE1 TYR A 19 16.722 -26.020 4.860 1.00 0.00 C ATOM 314 CE2 TYR A 19 15.796 -28.277 4.678 1.00 0.00 C ATOM 315 CZ TYR A 19 16.517 -27.201 4.108 1.00 0.00 C ATOM 316 OH TYR A 19 17.010 -27.316 2.842 1.00 0.00 O ATOM 0 H TYR A 19 13.522 -26.670 10.140 1.00 0.00 H new ATOM 0 HA TYR A 19 13.900 -24.968 7.925 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.642 -26.431 8.787 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.661 -27.855 8.502 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.361 -25.016 6.736 1.00 0.00 H new ATOM 0 HD2 TYR A 19 14.732 -28.990 6.413 1.00 0.00 H new ATOM 0 HE1 TYR A 19 17.274 -25.196 4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 19 15.639 -29.182 4.110 1.00 0.00 H new ATOM 0 HH TYR A 19 16.775 -28.195 2.478 1.00 0.00 H new ATOM 326 N PHE A 20 11.894 -27.558 7.391 1.00 0.00 N ATOM 327 CA PHE A 20 10.883 -28.092 6.495 1.00 0.00 C ATOM 328 C PHE A 20 9.802 -27.046 6.238 1.00 0.00 C ATOM 329 O PHE A 20 9.526 -26.730 5.084 1.00 0.00 O ATOM 330 CB PHE A 20 10.315 -29.394 7.082 1.00 0.00 C ATOM 331 CG PHE A 20 9.121 -29.961 6.338 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.314 -30.727 5.172 1.00 0.00 C ATOM 333 CD2 PHE A 20 7.817 -29.741 6.824 1.00 0.00 C ATOM 334 CE1 PHE A 20 8.209 -31.285 4.506 1.00 0.00 C ATOM 335 CE2 PHE A 20 6.713 -30.295 6.153 1.00 0.00 C ATOM 336 CZ PHE A 20 6.910 -31.075 5.000 1.00 0.00 C ATOM 0 H PHE A 20 12.008 -28.099 8.248 1.00 0.00 H new ATOM 0 HA PHE A 20 11.327 -28.332 5.529 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.106 -30.144 7.097 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.027 -29.214 8.118 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.311 -30.886 4.789 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.666 -29.146 7.713 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.358 -31.875 3.614 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.713 -30.121 6.523 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.063 -31.513 4.494 1.00 0.00 H new ATOM 346 N VAL A 21 9.239 -26.449 7.290 1.00 0.00 N ATOM 347 CA VAL A 21 8.204 -25.433 7.142 1.00 0.00 C ATOM 348 C VAL A 21 8.750 -24.216 6.379 1.00 0.00 C ATOM 349 O VAL A 21 8.053 -23.688 5.514 1.00 0.00 O ATOM 350 CB VAL A 21 7.631 -25.083 8.530 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.560 -23.994 8.450 1.00 0.00 C ATOM 352 CG2 VAL A 21 6.953 -26.305 9.170 1.00 0.00 C ATOM 0 H VAL A 21 9.487 -26.656 8.258 1.00 0.00 H new ATOM 0 HA VAL A 21 7.379 -25.816 6.541 1.00 0.00 H new ATOM 0 HB VAL A 21 8.480 -24.741 9.122 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.184 -23.779 9.450 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.992 -23.089 8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.739 -24.337 7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.557 -26.031 10.148 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.138 -26.645 8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.682 -27.107 9.285 1.00 0.00 H new ATOM 362 N GLN A 22 9.996 -23.800 6.631 1.00 0.00 N ATOM 363 CA GLN A 22 10.631 -22.693 5.925 1.00 0.00 C ATOM 364 C GLN A 22 10.681 -22.973 4.421 1.00 0.00 C ATOM 365 O GLN A 22 10.314 -22.092 3.640 1.00 0.00 O ATOM 366 CB GLN A 22 12.013 -22.433 6.540 1.00 0.00 C ATOM 367 CG GLN A 22 12.802 -21.299 5.878 1.00 0.00 C ATOM 368 CD GLN A 22 12.254 -19.903 6.163 1.00 0.00 C ATOM 369 OE1 GLN A 22 12.573 -19.272 7.167 1.00 0.00 O ATOM 370 NE2 GLN A 22 11.436 -19.374 5.273 1.00 0.00 N ATOM 0 H GLN A 22 10.593 -24.229 7.338 1.00 0.00 H new ATOM 0 HA GLN A 22 10.044 -21.782 6.040 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.888 -22.202 7.598 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.601 -23.349 6.481 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.837 -21.346 6.217 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.812 -21.460 4.800 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.175 -19.904 4.441 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.064 -18.435 5.417 1.00 0.00 H new ATOM 379 N MET A 23 11.106 -24.169 4.000 1.00 0.00 N ATOM 380 CA MET A 23 11.213 -24.451 2.570 1.00 0.00 C ATOM 381 C MET A 23 9.843 -24.730 1.943 1.00 0.00 C ATOM 382 O MET A 23 9.630 -24.385 0.783 1.00 0.00 O ATOM 383 CB MET A 23 12.235 -25.560 2.269 1.00 0.00 C ATOM 384 CG MET A 23 11.870 -26.958 2.775 1.00 0.00 C ATOM 385 SD MET A 23 13.030 -28.237 2.214 1.00 0.00 S ATOM 386 CE MET A 23 12.294 -29.701 2.986 1.00 0.00 C ATOM 0 H MET A 23 11.375 -24.938 4.614 1.00 0.00 H new ATOM 0 HA MET A 23 11.598 -23.548 2.095 1.00 0.00 H new ATOM 0 HB2 MET A 23 12.380 -25.611 1.190 1.00 0.00 H new ATOM 0 HB3 MET A 23 13.192 -25.274 2.706 1.00 0.00 H new ATOM 0 HG2 MET A 23 11.845 -26.950 3.865 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.866 -27.211 2.435 1.00 0.00 H new ATOM 0 HE1 MET A 23 12.702 -30.600 2.524 1.00 0.00 H new ATOM 0 HE2 MET A 23 12.524 -29.705 4.052 1.00 0.00 H new ATOM 0 HE3 MET A 23 11.213 -29.681 2.848 1.00 0.00 H new ATOM 396 N GLU A 24 8.888 -25.294 2.688 1.00 0.00 N ATOM 397 CA GLU A 24 7.539 -25.524 2.189 1.00 0.00 C ATOM 398 C GLU A 24 6.785 -24.203 2.015 1.00 0.00 C ATOM 399 O GLU A 24 5.976 -24.084 1.092 1.00 0.00 O ATOM 400 CB GLU A 24 6.783 -26.482 3.123 1.00 0.00 C ATOM 401 CG GLU A 24 7.250 -27.942 3.002 1.00 0.00 C ATOM 402 CD GLU A 24 7.001 -28.512 1.598 1.00 0.00 C ATOM 403 OE1 GLU A 24 5.875 -28.976 1.311 1.00 0.00 O ATOM 404 OE2 GLU A 24 7.901 -28.440 0.731 1.00 0.00 O ATOM 0 H GLU A 24 9.032 -25.601 3.650 1.00 0.00 H new ATOM 0 HA GLU A 24 7.607 -25.991 1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.911 -26.151 4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.717 -26.429 2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.313 -28.003 3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.727 -28.552 3.739 1.00 0.00 H new ATOM 411 N ALA A 25 7.070 -23.197 2.847 1.00 0.00 N ATOM 412 CA ALA A 25 6.597 -21.841 2.622 1.00 0.00 C ATOM 413 C ALA A 25 7.294 -21.243 1.398 1.00 0.00 C ATOM 414 O ALA A 25 6.629 -20.654 0.544 1.00 0.00 O ATOM 415 CB ALA A 25 6.867 -20.981 3.859 1.00 0.00 C ATOM 0 H ALA A 25 7.633 -23.306 3.690 1.00 0.00 H new ATOM 0 HA ALA A 25 5.523 -21.863 2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.510 -19.967 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.346 -21.405 4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.938 -20.958 4.060 1.00 0.00 H new ATOM 421 N ASP A 26 8.619 -21.407 1.297 1.00 0.00 N ATOM 422 CA ASP A 26 9.431 -20.792 0.249 1.00 0.00 C ATOM 423 C ASP A 26 9.013 -21.270 -1.137 1.00 0.00 C ATOM 424 O ASP A 26 8.865 -20.459 -2.049 1.00 0.00 O ATOM 425 CB ASP A 26 10.917 -21.109 0.448 1.00 0.00 C ATOM 426 CG ASP A 26 11.758 -20.445 -0.654 1.00 0.00 C ATOM 427 OD1 ASP A 26 11.760 -19.197 -0.749 1.00 0.00 O ATOM 428 OD2 ASP A 26 12.425 -21.167 -1.426 1.00 0.00 O ATOM 0 H ASP A 26 9.159 -21.976 1.949 1.00 0.00 H new ATOM 0 HA ASP A 26 9.271 -19.716 0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.243 -20.755 1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.071 -22.188 0.431 1.00 0.00 H new ATOM 433 N LYS A 27 8.757 -22.573 -1.300 1.00 0.00 N ATOM 434 CA LYS A 27 8.395 -23.135 -2.602 1.00 0.00 C ATOM 435 C LYS A 27 7.026 -22.662 -3.105 1.00 0.00 C ATOM 436 O LYS A 27 6.734 -22.839 -4.288 1.00 0.00 O ATOM 437 CB LYS A 27 8.594 -24.664 -2.628 1.00 0.00 C ATOM 438 CG LYS A 27 7.656 -25.503 -1.745 1.00 0.00 C ATOM 439 CD LYS A 27 6.363 -25.943 -2.450 1.00 0.00 C ATOM 440 CE LYS A 27 5.475 -26.797 -1.531 1.00 0.00 C ATOM 441 NZ LYS A 27 6.033 -28.153 -1.311 1.00 0.00 N ATOM 0 H LYS A 27 8.794 -23.257 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 27 9.092 -22.732 -3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.483 -25.003 -3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.621 -24.878 -2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.191 -26.389 -1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.396 -24.926 -0.858 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.809 -25.063 -2.776 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.613 -26.512 -3.346 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.360 -26.294 -0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.480 -26.882 -1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.456 -28.656 -0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.025 -28.681 -2.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.010 -28.074 -0.965 1.00 0.00 H new ATOM 455 N ARG A 28 6.199 -22.029 -2.258 1.00 0.00 N ATOM 456 CA ARG A 28 4.956 -21.369 -2.648 1.00 0.00 C ATOM 457 C ARG A 28 5.021 -19.853 -2.410 1.00 0.00 C ATOM 458 O ARG A 28 4.004 -19.177 -2.560 1.00 0.00 O ATOM 459 CB ARG A 28 3.787 -22.031 -1.895 1.00 0.00 C ATOM 460 CG ARG A 28 3.527 -23.478 -2.367 1.00 0.00 C ATOM 461 CD ARG A 28 2.048 -23.875 -2.478 1.00 0.00 C ATOM 462 NE ARG A 28 1.369 -23.145 -3.568 1.00 0.00 N ATOM 463 CZ ARG A 28 0.192 -23.455 -4.132 1.00 0.00 C ATOM 464 NH1 ARG A 28 -0.506 -24.526 -3.771 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.327 -22.669 -5.066 1.00 0.00 N ATOM 0 H ARG A 28 6.387 -21.964 -1.258 1.00 0.00 H new ATOM 0 HA ARG A 28 4.798 -21.493 -3.719 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.002 -22.033 -0.826 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.884 -21.437 -2.037 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.997 -23.615 -3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.019 -24.162 -1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.971 -24.948 -2.655 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.544 -23.671 -1.533 1.00 0.00 H new ATOM 0 HE ARG A 28 1.845 -22.319 -3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.150 -25.145 -3.042 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.398 -24.730 -4.223 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.169 -21.827 -5.357 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.222 -22.907 -5.493 1.00 0.00 H new ATOM 479 N LYS A 29 6.196 -19.309 -2.055 1.00 0.00 N ATOM 480 CA LYS A 29 6.427 -17.917 -1.658 1.00 0.00 C ATOM 481 C LYS A 29 5.328 -17.380 -0.731 1.00 0.00 C ATOM 482 O LYS A 29 4.865 -16.246 -0.879 1.00 0.00 O ATOM 483 CB LYS A 29 6.697 -17.038 -2.896 1.00 0.00 C ATOM 484 CG LYS A 29 7.924 -17.469 -3.724 1.00 0.00 C ATOM 485 CD LYS A 29 9.256 -17.290 -2.976 1.00 0.00 C ATOM 486 CE LYS A 29 10.414 -17.842 -3.815 1.00 0.00 C ATOM 487 NZ LYS A 29 11.713 -17.726 -3.111 1.00 0.00 N ATOM 0 H LYS A 29 7.054 -19.860 -2.037 1.00 0.00 H new ATOM 0 HA LYS A 29 7.331 -17.878 -1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.816 -17.054 -3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.836 -16.007 -2.572 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.813 -18.515 -4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.953 -16.890 -4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.423 -16.234 -2.763 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.215 -17.806 -2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.223 -18.888 -4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.465 -17.304 -4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.474 -18.079 -3.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.893 -16.729 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.685 -18.288 -2.237 1.00 0.00 H new ATOM 501 N LEU A 30 4.908 -18.209 0.227 1.00 0.00 N ATOM 502 CA LEU A 30 4.098 -17.776 1.359 1.00 0.00 C ATOM 503 C LEU A 30 4.889 -16.784 2.215 1.00 0.00 C ATOM 504 O LEU A 30 6.114 -16.684 2.099 1.00 0.00 O ATOM 505 CB LEU A 30 3.674 -18.996 2.196 1.00 0.00 C ATOM 506 CG LEU A 30 2.607 -19.879 1.525 1.00 0.00 C ATOM 507 CD1 LEU A 30 2.277 -21.071 2.427 1.00 0.00 C ATOM 508 CD2 LEU A 30 1.321 -19.095 1.244 1.00 0.00 C ATOM 0 H LEU A 30 5.124 -19.206 0.236 1.00 0.00 H new ATOM 0 HA LEU A 30 3.200 -17.279 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.554 -19.604 2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.292 -18.649 3.156 1.00 0.00 H new ATOM 0 HG LEU A 30 3.015 -20.225 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.521 -21.692 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.178 -21.661 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.896 -20.710 3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.591 -19.751 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.914 -18.716 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.542 -18.259 0.580 1.00 0.00 H new ATOM 520 N ALA A 31 4.189 -16.088 3.111 1.00 0.00 N ATOM 521 CA ALA A 31 4.772 -15.203 4.111 1.00 0.00 C ATOM 522 C ALA A 31 4.214 -15.603 5.479 1.00 0.00 C ATOM 523 O ALA A 31 3.144 -16.208 5.532 1.00 0.00 O ATOM 524 CB ALA A 31 4.439 -13.755 3.744 1.00 0.00 C ATOM 0 H ALA A 31 3.171 -16.128 3.160 1.00 0.00 H new ATOM 0 HA ALA A 31 5.858 -15.289 4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.871 -13.083 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.852 -13.524 2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.357 -13.625 3.722 1.00 0.00 H new ATOM 530 N GLY A 32 4.925 -15.335 6.579 1.00 0.00 N ATOM 531 CA GLY A 32 4.546 -15.857 7.889 1.00 0.00 C ATOM 532 C GLY A 32 5.747 -16.110 8.798 1.00 0.00 C ATOM 533 O GLY A 32 6.847 -15.608 8.548 1.00 0.00 O ATOM 0 H GLY A 32 5.767 -14.759 6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.872 -15.152 8.374 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.994 -16.787 7.758 1.00 0.00 H new ATOM 537 N TRP A 33 5.557 -16.923 9.838 1.00 0.00 N ATOM 538 CA TRP A 33 6.654 -17.436 10.638 1.00 0.00 C ATOM 539 C TRP A 33 6.392 -18.846 11.168 1.00 0.00 C ATOM 540 O TRP A 33 5.252 -19.320 11.172 1.00 0.00 O ATOM 541 CB TRP A 33 7.022 -16.447 11.763 1.00 0.00 C ATOM 542 CG TRP A 33 5.952 -15.996 12.723 1.00 0.00 C ATOM 543 CD1 TRP A 33 4.980 -16.760 13.278 1.00 0.00 C ATOM 544 CD2 TRP A 33 5.768 -14.664 13.297 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.201 -15.995 14.120 1.00 0.00 N ATOM 546 CE2 TRP A 33 4.641 -14.691 14.173 1.00 0.00 C ATOM 547 CE3 TRP A 33 6.451 -13.432 13.178 1.00 0.00 C ATOM 548 CZ2 TRP A 33 4.205 -13.558 14.878 1.00 0.00 C ATOM 549 CZ3 TRP A 33 6.026 -12.289 13.882 1.00 0.00 C ATOM 550 CH2 TRP A 33 4.904 -12.348 14.727 1.00 0.00 C ATOM 0 H TRP A 33 4.637 -17.240 10.144 1.00 0.00 H new ATOM 0 HA TRP A 33 7.518 -17.527 9.980 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.820 -16.900 12.351 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.439 -15.556 11.293 1.00 0.00 H new ATOM 0 HD1 TRP A 33 4.837 -17.814 13.089 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.398 -16.351 14.639 1.00 0.00 H new ATOM 0 HE3 TRP A 33 7.316 -13.366 12.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.344 -13.615 15.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 6.566 -11.360 13.772 1.00 0.00 H new ATOM 0 HH2 TRP A 33 4.580 -11.466 15.259 1.00 0.00 H new ATOM 561 N VAL A 34 7.446 -19.490 11.675 1.00 0.00 N ATOM 562 CA VAL A 34 7.386 -20.771 12.375 1.00 0.00 C ATOM 563 C VAL A 34 8.297 -20.720 13.598 1.00 0.00 C ATOM 564 O VAL A 34 9.374 -20.120 13.548 1.00 0.00 O ATOM 565 CB VAL A 34 7.763 -21.926 11.415 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.194 -21.840 10.855 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.582 -23.301 12.077 1.00 0.00 C ATOM 0 H VAL A 34 8.394 -19.120 11.606 1.00 0.00 H new ATOM 0 HA VAL A 34 6.369 -20.961 12.718 1.00 0.00 H new ATOM 0 HB VAL A 34 7.072 -21.813 10.580 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.377 -22.686 10.192 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.311 -20.911 10.298 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.909 -21.863 11.678 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.857 -24.084 11.370 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.220 -23.367 12.958 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.541 -23.428 12.372 1.00 0.00 H new ATOM 577 N LYS A 35 7.905 -21.409 14.672 1.00 0.00 N ATOM 578 CA LYS A 35 8.787 -21.746 15.784 1.00 0.00 C ATOM 579 C LYS A 35 8.359 -23.095 16.353 1.00 0.00 C ATOM 580 O LYS A 35 7.227 -23.530 16.130 1.00 0.00 O ATOM 581 CB LYS A 35 8.771 -20.631 16.850 1.00 0.00 C ATOM 582 CG LYS A 35 7.421 -20.445 17.563 1.00 0.00 C ATOM 583 CD LYS A 35 7.512 -19.348 18.637 1.00 0.00 C ATOM 584 CE LYS A 35 6.225 -19.269 19.472 1.00 0.00 C ATOM 585 NZ LYS A 35 5.079 -18.699 18.722 1.00 0.00 N ATOM 0 H LYS A 35 6.952 -21.752 14.792 1.00 0.00 H new ATOM 0 HA LYS A 35 9.817 -21.826 15.437 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.534 -20.850 17.597 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.049 -19.690 16.376 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.654 -20.183 16.834 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.116 -21.385 18.023 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.360 -19.548 19.292 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.697 -18.385 18.160 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.963 -20.268 19.820 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.410 -18.661 20.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.290 -19.377 18.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.775 -17.813 19.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.367 -18.507 17.741 1.00 0.00 H new ATOM 599 N ASN A 36 9.219 -23.730 17.145 1.00 0.00 N ATOM 600 CA ASN A 36 8.825 -24.837 18.010 1.00 0.00 C ATOM 601 C ASN A 36 9.237 -24.498 19.438 1.00 0.00 C ATOM 602 O ASN A 36 10.071 -23.616 19.666 1.00 0.00 O ATOM 603 CB ASN A 36 9.280 -26.214 17.485 1.00 0.00 C ATOM 604 CG ASN A 36 10.789 -26.476 17.414 1.00 0.00 C ATOM 605 OD1 ASN A 36 11.587 -25.867 18.119 1.00 0.00 O ATOM 606 ND2 ASN A 36 11.182 -27.394 16.548 1.00 0.00 N ATOM 0 H ASN A 36 10.209 -23.491 17.205 1.00 0.00 H new ATOM 0 HA ASN A 36 7.741 -24.952 18.005 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.834 -26.981 18.119 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.867 -26.347 16.485 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.174 -27.613 16.452 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.494 -27.883 15.976 1.00 0.00 H new ATOM 613 N ARG A 37 8.522 -25.080 20.400 1.00 0.00 N ATOM 614 CA ARG A 37 8.203 -24.406 21.659 1.00 0.00 C ATOM 615 C ARG A 37 8.696 -25.254 22.822 1.00 0.00 C ATOM 616 O ARG A 37 8.682 -26.480 22.727 1.00 0.00 O ATOM 617 CB ARG A 37 6.669 -24.216 21.719 1.00 0.00 C ATOM 618 CG ARG A 37 6.113 -23.208 20.693 1.00 0.00 C ATOM 619 CD ARG A 37 4.614 -23.356 20.369 1.00 0.00 C ATOM 620 NE ARG A 37 3.756 -23.649 21.535 1.00 0.00 N ATOM 621 CZ ARG A 37 2.587 -23.069 21.849 1.00 0.00 C ATOM 622 NH1 ARG A 37 2.153 -21.964 21.244 1.00 0.00 N ATOM 623 NH2 ARG A 37 1.835 -23.631 22.790 1.00 0.00 N ATOM 0 H ARG A 37 8.149 -26.027 20.330 1.00 0.00 H new ATOM 0 HA ARG A 37 8.691 -23.434 21.721 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.189 -25.181 21.559 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.395 -23.885 22.721 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.289 -22.200 21.067 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.679 -23.308 19.767 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.265 -22.436 19.901 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.492 -24.153 19.636 1.00 0.00 H new ATOM 0 HE ARG A 37 4.089 -24.372 22.172 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.715 -21.528 20.513 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.258 -21.554 21.512 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.151 -24.483 23.254 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.942 -23.211 23.048 1.00 0.00 H new ATOM 637 N ASP A 38 9.045 -24.634 23.951 1.00 0.00 N ATOM 638 CA ASP A 38 9.369 -25.363 25.187 1.00 0.00 C ATOM 639 C ASP A 38 8.161 -26.171 25.686 1.00 0.00 C ATOM 640 O ASP A 38 8.312 -27.229 26.296 1.00 0.00 O ATOM 641 CB ASP A 38 9.829 -24.380 26.270 1.00 0.00 C ATOM 642 CG ASP A 38 10.122 -25.102 27.595 1.00 0.00 C ATOM 643 OD1 ASP A 38 11.157 -25.801 27.694 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.342 -24.945 28.561 1.00 0.00 O ATOM 0 H ASP A 38 9.112 -23.620 24.038 1.00 0.00 H new ATOM 0 HA ASP A 38 10.177 -26.062 24.969 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.724 -23.858 25.933 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.060 -23.624 26.428 1.00 0.00 H new ATOM 649 N ASP A 39 6.958 -25.699 25.346 1.00 0.00 N ATOM 650 CA ASP A 39 5.672 -26.376 25.525 1.00 0.00 C ATOM 651 C ASP A 39 5.582 -27.716 24.767 1.00 0.00 C ATOM 652 O ASP A 39 4.723 -28.544 25.066 1.00 0.00 O ATOM 653 CB ASP A 39 4.588 -25.401 25.047 1.00 0.00 C ATOM 654 CG ASP A 39 3.185 -26.006 25.003 1.00 0.00 C ATOM 655 OD1 ASP A 39 2.619 -26.335 26.069 1.00 0.00 O ATOM 656 OD2 ASP A 39 2.625 -26.071 23.883 1.00 0.00 O ATOM 0 H ASP A 39 6.850 -24.781 24.914 1.00 0.00 H new ATOM 0 HA ASP A 39 5.543 -26.636 26.576 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.578 -24.533 25.706 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.849 -25.042 24.051 1.00 0.00 H new ATOM 661 N GLY A 40 6.472 -27.953 23.795 1.00 0.00 N ATOM 662 CA GLY A 40 6.616 -29.202 23.050 1.00 0.00 C ATOM 663 C GLY A 40 6.063 -29.084 21.630 1.00 0.00 C ATOM 664 O GLY A 40 6.549 -29.747 20.711 1.00 0.00 O ATOM 0 H GLY A 40 7.141 -27.243 23.496 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.669 -29.481 23.008 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.096 -30.002 23.577 1.00 0.00 H new ATOM 668 N ARG A 41 5.078 -28.209 21.430 1.00 0.00 N ATOM 669 CA ARG A 41 4.391 -28.043 20.157 1.00 0.00 C ATOM 670 C ARG A 41 5.265 -27.313 19.140 1.00 0.00 C ATOM 671 O ARG A 41 6.274 -26.690 19.485 1.00 0.00 O ATOM 672 CB ARG A 41 3.054 -27.313 20.399 1.00 0.00 C ATOM 673 CG ARG A 41 2.091 -28.176 21.231 1.00 0.00 C ATOM 674 CD ARG A 41 0.761 -27.457 21.471 1.00 0.00 C ATOM 675 NE ARG A 41 -0.203 -28.319 22.175 1.00 0.00 N ATOM 676 CZ ARG A 41 -0.279 -28.509 23.499 1.00 0.00 C ATOM 677 NH1 ARG A 41 0.563 -27.903 24.329 1.00 0.00 N ATOM 678 NH2 ARG A 41 -1.210 -29.321 23.992 1.00 0.00 N ATOM 0 H ARG A 41 4.732 -27.588 22.161 1.00 0.00 H new ATOM 0 HA ARG A 41 4.183 -29.024 19.729 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.239 -26.371 20.914 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.592 -27.068 19.443 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.909 -29.119 20.716 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.553 -28.419 22.188 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.936 -26.553 22.055 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.339 -27.143 20.516 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.879 -28.820 21.598 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.283 -27.281 23.961 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.490 -28.060 25.334 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.859 -29.794 23.363 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.275 -29.471 24.999 1.00 0.00 H new ATOM 692 N VAL A 42 4.825 -27.331 17.889 1.00 0.00 N ATOM 693 CA VAL A 42 5.222 -26.371 16.865 1.00 0.00 C ATOM 694 C VAL A 42 4.052 -25.401 16.736 1.00 0.00 C ATOM 695 O VAL A 42 2.894 -25.792 16.922 1.00 0.00 O ATOM 696 CB VAL A 42 5.506 -27.066 15.510 1.00 0.00 C ATOM 697 CG1 VAL A 42 6.205 -26.142 14.499 1.00 0.00 C ATOM 698 CG2 VAL A 42 6.361 -28.327 15.667 1.00 0.00 C ATOM 0 H VAL A 42 4.166 -28.031 17.549 1.00 0.00 H new ATOM 0 HA VAL A 42 6.146 -25.863 17.143 1.00 0.00 H new ATOM 0 HB VAL A 42 4.520 -27.335 15.130 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.378 -26.684 13.569 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.574 -25.275 14.302 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.159 -25.811 14.908 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.531 -28.776 14.688 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.318 -28.064 16.117 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.843 -29.040 16.308 1.00 0.00 H new ATOM 708 N GLU A 43 4.350 -24.157 16.378 1.00 0.00 N ATOM 709 CA GLU A 43 3.365 -23.146 16.052 1.00 0.00 C ATOM 710 C GLU A 43 3.821 -22.435 14.782 1.00 0.00 C ATOM 711 O GLU A 43 5.012 -22.177 14.586 1.00 0.00 O ATOM 712 CB GLU A 43 3.223 -22.202 17.249 1.00 0.00 C ATOM 713 CG GLU A 43 2.359 -20.968 16.957 1.00 0.00 C ATOM 714 CD GLU A 43 1.994 -20.219 18.242 1.00 0.00 C ATOM 715 OE1 GLU A 43 2.820 -20.194 19.187 1.00 0.00 O ATOM 716 OE2 GLU A 43 0.887 -19.643 18.293 1.00 0.00 O ATOM 0 H GLU A 43 5.310 -23.820 16.306 1.00 0.00 H new ATOM 0 HA GLU A 43 2.381 -23.573 15.859 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.788 -22.751 18.084 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.214 -21.875 17.564 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.895 -20.298 16.285 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.448 -21.274 16.442 1.00 0.00 H new ATOM 723 N ILE A 44 2.859 -22.129 13.916 1.00 0.00 N ATOM 724 CA ILE A 44 3.069 -21.560 12.602 1.00 0.00 C ATOM 725 C ILE A 44 1.981 -20.503 12.415 1.00 0.00 C ATOM 726 O ILE A 44 0.848 -20.688 12.868 1.00 0.00 O ATOM 727 CB ILE A 44 2.952 -22.652 11.506 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.477 -24.051 11.922 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.656 -22.159 10.231 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.430 -25.114 10.819 1.00 0.00 C ATOM 0 H ILE A 44 1.872 -22.280 14.126 1.00 0.00 H new ATOM 0 HA ILE A 44 4.066 -21.127 12.517 1.00 0.00 H new ATOM 0 HB ILE A 44 1.887 -22.802 11.328 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.507 -23.949 12.264 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.892 -24.404 12.771 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.579 -22.921 9.455 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.182 -21.240 9.886 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.707 -21.966 10.447 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.817 -26.057 11.206 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.400 -25.252 10.491 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.039 -24.790 9.975 1.00 0.00 H new ATOM 742 N LEU A 45 2.301 -19.436 11.693 1.00 0.00 N ATOM 743 CA LEU A 45 1.352 -18.444 11.209 1.00 0.00 C ATOM 744 C LEU A 45 1.767 -18.222 9.763 1.00 0.00 C ATOM 745 O LEU A 45 2.948 -17.987 9.516 1.00 0.00 O ATOM 746 CB LEU A 45 1.459 -17.176 12.077 1.00 0.00 C ATOM 747 CG LEU A 45 0.339 -16.134 11.885 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.503 -15.037 12.945 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.341 -15.469 10.502 1.00 0.00 C ATOM 0 H LEU A 45 3.262 -19.232 11.420 1.00 0.00 H new ATOM 0 HA LEU A 45 0.306 -18.747 11.267 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.474 -17.476 13.125 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.415 -16.696 11.869 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.606 -16.669 11.982 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.283 -14.292 12.822 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.432 -15.478 13.939 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.476 -14.561 12.828 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.475 -14.749 10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.290 -14.956 10.347 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.210 -16.230 9.732 1.00 0.00 H new ATOM 761 N ALA A 46 0.848 -18.343 8.809 1.00 0.00 N ATOM 762 CA ALA A 46 1.147 -18.213 7.390 1.00 0.00 C ATOM 763 C ALA A 46 0.041 -17.416 6.717 1.00 0.00 C ATOM 764 O ALA A 46 -1.114 -17.474 7.136 1.00 0.00 O ATOM 765 CB ALA A 46 1.288 -19.599 6.759 1.00 0.00 C ATOM 0 H ALA A 46 -0.134 -18.536 9.004 1.00 0.00 H new ATOM 0 HA ALA A 46 2.091 -17.684 7.256 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.512 -19.494 5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.097 -20.141 7.249 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.356 -20.151 6.881 1.00 0.00 H new ATOM 771 N GLU A 47 0.392 -16.677 5.672 1.00 0.00 N ATOM 772 CA GLU A 47 -0.476 -15.723 5.010 1.00 0.00 C ATOM 773 C GLU A 47 -0.234 -15.854 3.510 1.00 0.00 C ATOM 774 O GLU A 47 0.920 -15.939 3.071 1.00 0.00 O ATOM 775 CB GLU A 47 -0.193 -14.291 5.508 1.00 0.00 C ATOM 776 CG GLU A 47 -0.281 -14.178 7.036 1.00 0.00 C ATOM 777 CD GLU A 47 -0.409 -12.741 7.538 1.00 0.00 C ATOM 778 OE1 GLU A 47 0.500 -11.910 7.312 1.00 0.00 O ATOM 779 OE2 GLU A 47 -1.393 -12.459 8.249 1.00 0.00 O ATOM 0 H GLU A 47 1.320 -16.730 5.252 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.522 -15.928 5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.800 -13.984 5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.906 -13.603 5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.138 -14.753 7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.608 -14.630 7.477 1.00 0.00 H new ATOM 786 N GLY A 48 -1.312 -15.910 2.727 1.00 0.00 N ATOM 787 CA GLY A 48 -1.223 -16.205 1.300 1.00 0.00 C ATOM 788 C GLY A 48 -2.588 -16.552 0.712 1.00 0.00 C ATOM 789 O GLY A 48 -3.606 -16.327 1.372 1.00 0.00 O ATOM 0 H GLY A 48 -2.263 -15.753 3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.808 -15.344 0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.536 -17.036 1.142 1.00 0.00 H new ATOM 793 N PRO A 49 -2.644 -17.056 -0.531 1.00 0.00 N ATOM 794 CA PRO A 49 -3.879 -17.559 -1.111 1.00 0.00 C ATOM 795 C PRO A 49 -4.280 -18.880 -0.441 1.00 0.00 C ATOM 796 O PRO A 49 -3.431 -19.648 0.023 1.00 0.00 O ATOM 797 CB PRO A 49 -3.588 -17.721 -2.605 1.00 0.00 C ATOM 798 CG PRO A 49 -2.085 -17.990 -2.655 1.00 0.00 C ATOM 799 CD PRO A 49 -1.531 -17.215 -1.458 1.00 0.00 C ATOM 0 HA PRO A 49 -4.723 -16.886 -0.959 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.157 -18.545 -3.037 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.853 -16.824 -3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.867 -19.055 -2.576 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.648 -17.644 -3.592 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.708 -17.756 -0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.140 -16.246 -1.768 1.00 0.00 H new ATOM 807 N GLU A 50 -5.586 -19.160 -0.436 1.00 0.00 N ATOM 808 CA GLU A 50 -6.167 -20.322 0.231 1.00 0.00 C ATOM 809 C GLU A 50 -5.545 -21.620 -0.291 1.00 0.00 C ATOM 810 O GLU A 50 -5.215 -22.498 0.499 1.00 0.00 O ATOM 811 CB GLU A 50 -7.691 -20.310 0.019 1.00 0.00 C ATOM 812 CG GLU A 50 -8.411 -21.421 0.798 1.00 0.00 C ATOM 813 CD GLU A 50 -9.925 -21.412 0.517 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.368 -22.054 -0.463 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.694 -20.781 1.278 1.00 0.00 O ATOM 0 H GLU A 50 -6.278 -18.575 -0.904 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.954 -20.271 1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.088 -19.342 0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.906 -20.420 -1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.994 -22.390 0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.237 -21.291 1.866 1.00 0.00 H new ATOM 822 N ASN A 51 -5.343 -21.741 -1.609 1.00 0.00 N ATOM 823 CA ASN A 51 -4.805 -22.963 -2.206 1.00 0.00 C ATOM 824 C ASN A 51 -3.399 -23.273 -1.684 1.00 0.00 C ATOM 825 O ASN A 51 -3.100 -24.417 -1.343 1.00 0.00 O ATOM 826 CB ASN A 51 -4.800 -22.845 -3.738 1.00 0.00 C ATOM 827 CG ASN A 51 -4.174 -24.074 -4.388 1.00 0.00 C ATOM 828 OD1 ASN A 51 -3.032 -24.032 -4.837 1.00 0.00 O ATOM 829 ND2 ASN A 51 -4.885 -25.187 -4.444 1.00 0.00 N ATOM 0 H ASN A 51 -5.546 -21.002 -2.282 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.451 -23.792 -1.916 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.821 -22.721 -4.098 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.247 -21.953 -4.034 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.486 -26.026 -4.864 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.832 -25.206 -4.067 1.00 0.00 H new ATOM 836 N ALA A 52 -2.553 -22.246 -1.581 1.00 0.00 N ATOM 837 CA ALA A 52 -1.205 -22.401 -1.056 1.00 0.00 C ATOM 838 C ALA A 52 -1.242 -22.748 0.429 1.00 0.00 C ATOM 839 O ALA A 52 -0.515 -23.640 0.860 1.00 0.00 O ATOM 840 CB ALA A 52 -0.385 -21.135 -1.311 1.00 0.00 C ATOM 0 H ALA A 52 -2.785 -21.292 -1.858 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.720 -23.227 -1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.621 -21.267 -0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.329 -20.948 -2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.862 -20.287 -0.819 1.00 0.00 H new ATOM 846 N LEU A 53 -2.110 -22.085 1.198 1.00 0.00 N ATOM 847 CA LEU A 53 -2.313 -22.390 2.611 1.00 0.00 C ATOM 848 C LEU A 53 -2.785 -23.835 2.798 1.00 0.00 C ATOM 849 O LEU A 53 -2.318 -24.503 3.719 1.00 0.00 O ATOM 850 CB LEU A 53 -3.300 -21.375 3.219 1.00 0.00 C ATOM 851 CG LEU A 53 -2.685 -20.142 3.923 1.00 0.00 C ATOM 852 CD1 LEU A 53 -1.308 -19.695 3.417 1.00 0.00 C ATOM 853 CD2 LEU A 53 -3.632 -18.945 3.795 1.00 0.00 C ATOM 0 H LEU A 53 -2.691 -21.321 0.855 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.364 -22.301 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.956 -21.021 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.927 -21.900 3.939 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.545 -20.470 4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.978 -18.824 3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.591 -20.506 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.375 -19.437 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.194 -18.080 4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.789 -18.717 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.588 -19.186 4.260 1.00 0.00 H new ATOM 865 N GLN A 54 -3.646 -24.357 1.919 1.00 0.00 N ATOM 866 CA GLN A 54 -4.063 -25.747 1.967 1.00 0.00 C ATOM 867 C GLN A 54 -2.876 -26.675 1.695 1.00 0.00 C ATOM 868 O GLN A 54 -2.641 -27.566 2.509 1.00 0.00 O ATOM 869 CB GLN A 54 -5.224 -25.998 0.991 1.00 0.00 C ATOM 870 CG GLN A 54 -6.567 -25.433 1.486 1.00 0.00 C ATOM 871 CD GLN A 54 -7.064 -26.128 2.755 1.00 0.00 C ATOM 872 OE1 GLN A 54 -6.924 -25.609 3.860 1.00 0.00 O ATOM 873 NE2 GLN A 54 -7.641 -27.314 2.639 1.00 0.00 N ATOM 0 H GLN A 54 -4.068 -23.823 1.159 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.427 -25.970 2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.982 -25.550 0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.327 -27.071 0.828 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.459 -24.366 1.679 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.315 -25.541 0.700 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.754 -27.738 1.718 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.973 -27.803 3.470 1.00 0.00 H new ATOM 882 N SER A 55 -2.087 -26.467 0.631 1.00 0.00 N ATOM 883 CA SER A 55 -0.912 -27.313 0.381 1.00 0.00 C ATOM 884 C SER A 55 0.061 -27.284 1.566 1.00 0.00 C ATOM 885 O SER A 55 0.640 -28.306 1.941 1.00 0.00 O ATOM 886 CB SER A 55 -0.166 -26.840 -0.872 1.00 0.00 C ATOM 887 OG SER A 55 -1.032 -26.670 -1.977 1.00 0.00 O ATOM 0 H SER A 55 -2.238 -25.732 -0.060 1.00 0.00 H new ATOM 0 HA SER A 55 -1.274 -28.331 0.239 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.337 -25.897 -0.659 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.608 -27.564 -1.127 1.00 0.00 H new ATOM 0 HG SER A 55 -0.611 -27.036 -2.782 1.00 0.00 H new ATOM 893 N PHE A 56 0.231 -26.107 2.167 1.00 0.00 N ATOM 894 CA PHE A 56 1.118 -25.895 3.289 1.00 0.00 C ATOM 895 C PHE A 56 0.635 -26.705 4.497 1.00 0.00 C ATOM 896 O PHE A 56 1.432 -27.431 5.086 1.00 0.00 O ATOM 897 CB PHE A 56 1.174 -24.387 3.542 1.00 0.00 C ATOM 898 CG PHE A 56 2.109 -23.927 4.634 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.502 -24.008 4.449 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.584 -23.335 5.798 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.369 -23.477 5.417 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.453 -22.820 6.771 1.00 0.00 C ATOM 903 CZ PHE A 56 3.842 -22.867 6.568 1.00 0.00 C ATOM 0 H PHE A 56 -0.259 -25.262 1.874 1.00 0.00 H new ATOM 0 HA PHE A 56 2.130 -26.247 3.088 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.464 -23.895 2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.169 -24.043 3.785 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.903 -24.478 3.563 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.515 -23.277 5.942 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.438 -23.537 5.277 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.054 -22.387 7.676 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.508 -22.433 7.299 1.00 0.00 H new ATOM 913 N VAL A 57 -0.663 -26.671 4.823 1.00 0.00 N ATOM 914 CA VAL A 57 -1.234 -27.520 5.866 1.00 0.00 C ATOM 915 C VAL A 57 -0.989 -28.994 5.528 1.00 0.00 C ATOM 916 O VAL A 57 -0.502 -29.724 6.390 1.00 0.00 O ATOM 917 CB VAL A 57 -2.732 -27.201 6.076 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.464 -28.252 6.929 1.00 0.00 C ATOM 919 CG2 VAL A 57 -2.888 -25.852 6.788 1.00 0.00 C ATOM 0 H VAL A 57 -1.341 -26.056 4.372 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.738 -27.313 6.814 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.174 -27.190 5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.511 -27.968 7.038 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.401 -29.225 6.441 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.000 -28.309 7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.947 -25.636 6.931 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.392 -25.893 7.758 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.437 -25.066 6.182 1.00 0.00 H new ATOM 929 N GLU A 58 -1.276 -29.424 4.293 1.00 0.00 N ATOM 930 CA GLU A 58 -1.161 -30.821 3.875 1.00 0.00 C ATOM 931 C GLU A 58 0.258 -31.343 4.128 1.00 0.00 C ATOM 932 O GLU A 58 0.433 -32.460 4.614 1.00 0.00 O ATOM 933 CB GLU A 58 -1.539 -30.972 2.389 1.00 0.00 C ATOM 934 CG GLU A 58 -3.033 -30.766 2.089 1.00 0.00 C ATOM 935 CD GLU A 58 -3.860 -32.037 2.337 1.00 0.00 C ATOM 936 OE1 GLU A 58 -4.255 -32.290 3.496 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.127 -32.791 1.373 1.00 0.00 O ATOM 0 H GLU A 58 -1.598 -28.803 3.550 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.855 -31.417 4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.962 -30.255 1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.247 -31.967 2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.418 -29.958 2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.153 -30.454 1.051 1.00 0.00 H new ATOM 944 N ALA A 59 1.264 -30.511 3.848 1.00 0.00 N ATOM 945 CA ALA A 59 2.662 -30.812 4.110 1.00 0.00 C ATOM 946 C ALA A 59 2.948 -30.877 5.614 1.00 0.00 C ATOM 947 O ALA A 59 3.585 -31.818 6.089 1.00 0.00 O ATOM 948 CB ALA A 59 3.534 -29.751 3.436 1.00 0.00 C ATOM 0 H ALA A 59 1.121 -29.594 3.425 1.00 0.00 H new ATOM 0 HA ALA A 59 2.896 -31.793 3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.585 -29.969 3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.351 -29.759 2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.288 -28.768 3.839 1.00 0.00 H new ATOM 954 N VAL A 60 2.465 -29.898 6.382 1.00 0.00 N ATOM 955 CA VAL A 60 2.667 -29.831 7.826 1.00 0.00 C ATOM 956 C VAL A 60 2.031 -31.040 8.533 1.00 0.00 C ATOM 957 O VAL A 60 2.551 -31.448 9.572 1.00 0.00 O ATOM 958 CB VAL A 60 2.172 -28.464 8.351 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.176 -28.368 9.881 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.081 -27.330 7.846 1.00 0.00 C ATOM 0 H VAL A 60 1.917 -29.122 6.012 1.00 0.00 H new ATOM 0 HA VAL A 60 3.730 -29.895 8.058 1.00 0.00 H new ATOM 0 HB VAL A 60 1.151 -28.369 7.982 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.818 -27.384 10.185 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.523 -29.136 10.295 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.190 -28.515 10.252 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.717 -26.375 8.226 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.099 -27.496 8.198 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.072 -27.314 6.756 1.00 0.00 H new ATOM 970 N LYS A 61 0.989 -31.681 7.976 1.00 0.00 N ATOM 971 CA LYS A 61 0.463 -32.928 8.550 1.00 0.00 C ATOM 972 C LYS A 61 1.552 -33.997 8.643 1.00 0.00 C ATOM 973 O LYS A 61 1.525 -34.805 9.569 1.00 0.00 O ATOM 974 CB LYS A 61 -0.711 -33.525 7.753 1.00 0.00 C ATOM 975 CG LYS A 61 -1.848 -32.556 7.401 1.00 0.00 C ATOM 976 CD LYS A 61 -3.109 -33.257 6.874 1.00 0.00 C ATOM 977 CE LYS A 61 -2.804 -34.248 5.739 1.00 0.00 C ATOM 978 NZ LYS A 61 -4.018 -34.601 4.969 1.00 0.00 N ATOM 0 H LYS A 61 0.501 -31.360 7.140 1.00 0.00 H new ATOM 0 HA LYS A 61 0.104 -32.649 9.540 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.319 -33.945 6.827 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.130 -34.352 8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.108 -31.976 8.287 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.494 -31.850 6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.595 -33.787 7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.815 -32.507 6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.063 -33.814 5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.364 -35.153 6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.916 -35.561 4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.848 -34.566 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.144 -33.924 4.189 1.00 0.00 H new ATOM 992 N ASN A 62 2.482 -34.036 7.680 1.00 0.00 N ATOM 993 CA ASN A 62 3.582 -34.991 7.686 1.00 0.00 C ATOM 994 C ASN A 62 4.719 -34.510 8.582 1.00 0.00 C ATOM 995 O ASN A 62 5.307 -35.304 9.317 1.00 0.00 O ATOM 996 CB ASN A 62 4.112 -35.226 6.264 1.00 0.00 C ATOM 997 CG ASN A 62 5.123 -36.371 6.259 1.00 0.00 C ATOM 998 OD1 ASN A 62 4.745 -37.538 6.213 1.00 0.00 O ATOM 999 ND2 ASN A 62 6.411 -36.084 6.311 1.00 0.00 N ATOM 0 H ASN A 62 2.487 -33.405 6.879 1.00 0.00 H new ATOM 0 HA ASN A 62 3.196 -35.931 8.080 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.285 -35.459 5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.580 -34.316 5.888 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.101 -36.835 6.313 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.716 -35.111 6.349 1.00 0.00 H new ATOM 1006 N GLY A 63 5.027 -33.213 8.517 1.00 0.00 N ATOM 1007 CA GLY A 63 6.271 -32.674 9.052 1.00 0.00 C ATOM 1008 C GLY A 63 7.443 -33.052 8.144 1.00 0.00 C ATOM 1009 O GLY A 63 7.237 -33.484 7.005 1.00 0.00 O ATOM 0 H GLY A 63 4.420 -32.511 8.092 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.200 -31.589 9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.441 -33.060 10.057 1.00 0.00 H new ATOM 1013 N SER A 64 8.672 -32.882 8.637 1.00 0.00 N ATOM 1014 CA SER A 64 9.879 -33.245 7.901 1.00 0.00 C ATOM 1015 C SER A 64 9.910 -34.752 7.577 1.00 0.00 C ATOM 1016 O SER A 64 9.178 -35.532 8.200 1.00 0.00 O ATOM 1017 CB SER A 64 11.112 -32.822 8.713 1.00 0.00 C ATOM 1018 OG SER A 64 11.307 -33.674 9.829 1.00 0.00 O ATOM 0 H SER A 64 8.855 -32.488 9.560 1.00 0.00 H new ATOM 0 HA SER A 64 9.884 -32.719 6.946 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.996 -32.845 8.076 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.991 -31.794 9.054 1.00 0.00 H new ATOM 0 HG SER A 64 12.184 -33.496 10.227 1.00 0.00 H new ATOM 1024 N PRO A 65 10.817 -35.206 6.690 1.00 0.00 N ATOM 1025 CA PRO A 65 11.114 -36.623 6.484 1.00 0.00 C ATOM 1026 C PRO A 65 11.460 -37.415 7.761 1.00 0.00 C ATOM 1027 O PRO A 65 11.450 -38.648 7.717 1.00 0.00 O ATOM 1028 CB PRO A 65 12.286 -36.659 5.496 1.00 0.00 C ATOM 1029 CG PRO A 65 12.138 -35.354 4.719 1.00 0.00 C ATOM 1030 CD PRO A 65 11.615 -34.391 5.782 1.00 0.00 C ATOM 0 HA PRO A 65 10.216 -37.117 6.113 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.245 -36.712 6.012 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.230 -37.526 4.838 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.088 -35.020 4.302 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.442 -35.455 3.886 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.436 -33.906 6.310 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.013 -33.601 5.333 1.00 0.00 H new ATOM 1038 N PHE A 66 11.766 -36.746 8.881 1.00 0.00 N ATOM 1039 CA PHE A 66 12.172 -37.374 10.136 1.00 0.00 C ATOM 1040 C PHE A 66 11.154 -37.125 11.256 1.00 0.00 C ATOM 1041 O PHE A 66 11.275 -37.712 12.335 1.00 0.00 O ATOM 1042 CB PHE A 66 13.568 -36.862 10.529 1.00 0.00 C ATOM 1043 CG PHE A 66 14.606 -36.979 9.426 1.00 0.00 C ATOM 1044 CD1 PHE A 66 15.185 -38.227 9.128 1.00 0.00 C ATOM 1045 CD2 PHE A 66 14.968 -35.844 8.672 1.00 0.00 C ATOM 1046 CE1 PHE A 66 16.120 -38.341 8.083 1.00 0.00 C ATOM 1047 CE2 PHE A 66 15.902 -35.958 7.627 1.00 0.00 C ATOM 1048 CZ PHE A 66 16.478 -37.207 7.332 1.00 0.00 C ATOM 0 H PHE A 66 11.736 -35.728 8.936 1.00 0.00 H new ATOM 0 HA PHE A 66 12.212 -38.453 9.988 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.489 -35.817 10.829 1.00 0.00 H new ATOM 0 HB3 PHE A 66 13.915 -37.418 11.400 1.00 0.00 H new ATOM 0 HD1 PHE A 66 14.911 -39.099 9.703 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.527 -34.884 8.898 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.563 -39.300 7.857 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.177 -35.087 7.051 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.195 -37.295 6.529 1.00 0.00 H new ATOM 1058 N SER A 67 10.142 -36.285 11.026 1.00 0.00 N ATOM 1059 CA SER A 67 9.082 -36.024 11.984 1.00 0.00 C ATOM 1060 C SER A 67 8.160 -37.238 12.127 1.00 0.00 C ATOM 1061 O SER A 67 8.103 -38.114 11.259 1.00 0.00 O ATOM 1062 CB SER A 67 8.271 -34.818 11.503 1.00 0.00 C ATOM 1063 OG SER A 67 9.083 -33.662 11.422 1.00 0.00 O ATOM 0 H SER A 67 10.041 -35.763 10.155 1.00 0.00 H new ATOM 0 HA SER A 67 9.527 -35.820 12.958 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.838 -35.032 10.526 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.441 -34.637 12.186 1.00 0.00 H new ATOM 0 HG SER A 67 9.806 -33.815 10.779 1.00 0.00 H new ATOM 1069 N LYS A 68 7.376 -37.237 13.203 1.00 0.00 N ATOM 1070 CA LYS A 68 6.181 -38.056 13.370 1.00 0.00 C ATOM 1071 C LYS A 68 5.177 -37.190 14.116 1.00 0.00 C ATOM 1072 O LYS A 68 5.170 -37.157 15.345 1.00 0.00 O ATOM 1073 CB LYS A 68 6.501 -39.385 14.085 1.00 0.00 C ATOM 1074 CG LYS A 68 5.272 -40.262 14.392 1.00 0.00 C ATOM 1075 CD LYS A 68 4.434 -40.623 13.155 1.00 0.00 C ATOM 1076 CE LYS A 68 3.275 -41.543 13.563 1.00 0.00 C ATOM 1077 NZ LYS A 68 2.422 -41.920 12.409 1.00 0.00 N ATOM 0 H LYS A 68 7.564 -36.644 14.011 1.00 0.00 H new ATOM 0 HA LYS A 68 5.762 -38.363 12.412 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.193 -39.957 13.467 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.016 -39.164 15.020 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.606 -41.182 14.872 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.637 -39.741 15.108 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.045 -39.717 12.691 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.060 -41.118 12.412 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.676 -42.445 14.026 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.665 -41.043 14.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.654 -42.541 12.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.017 -41.063 11.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.997 -42.421 11.702 1.00 0.00 H new ATOM 1091 N VAL A 69 4.381 -36.430 13.369 1.00 0.00 N ATOM 1092 CA VAL A 69 3.236 -35.707 13.911 1.00 0.00 C ATOM 1093 C VAL A 69 2.278 -36.737 14.526 1.00 0.00 C ATOM 1094 O VAL A 69 2.087 -37.819 13.962 1.00 0.00 O ATOM 1095 CB VAL A 69 2.581 -34.899 12.769 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.294 -34.182 13.202 1.00 0.00 C ATOM 1097 CG2 VAL A 69 3.560 -33.852 12.208 1.00 0.00 C ATOM 0 H VAL A 69 4.513 -36.298 12.366 1.00 0.00 H new ATOM 0 HA VAL A 69 3.524 -35.001 14.690 1.00 0.00 H new ATOM 0 HB VAL A 69 2.322 -35.628 12.001 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.882 -33.632 12.356 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.566 -34.917 13.546 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.519 -33.487 14.011 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.077 -33.295 11.405 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.852 -33.164 13.002 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.446 -34.354 11.819 1.00 0.00 H new ATOM 1107 N THR A 70 1.648 -36.390 15.647 1.00 0.00 N ATOM 1108 CA THR A 70 0.622 -37.198 16.301 1.00 0.00 C ATOM 1109 C THR A 70 -0.668 -36.390 16.514 1.00 0.00 C ATOM 1110 O THR A 70 -1.734 -36.988 16.677 1.00 0.00 O ATOM 1111 CB THR A 70 1.171 -37.765 17.623 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.563 -36.712 18.481 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.391 -38.666 17.395 1.00 0.00 C ATOM 0 H THR A 70 1.842 -35.517 16.137 1.00 0.00 H new ATOM 0 HA THR A 70 0.363 -38.036 15.653 1.00 0.00 H new ATOM 0 HB THR A 70 0.370 -38.353 18.071 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.909 -37.084 19.319 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.747 -39.045 18.353 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.111 -39.503 16.755 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.183 -38.091 16.915 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.609 -35.053 16.454 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.775 -34.173 16.515 1.00 0.00 C ATOM 1123 C ASP A 71 -1.464 -32.878 15.768 1.00 0.00 C ATOM 1124 O ASP A 71 -0.310 -32.448 15.722 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.135 -33.858 17.973 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.351 -32.923 18.067 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.403 -33.238 17.467 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.266 -31.885 18.759 1.00 0.00 O ATOM 0 H ASP A 71 0.271 -34.546 16.360 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.625 -34.673 16.050 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.347 -34.786 18.504 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.281 -33.395 18.467 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.487 -32.259 15.185 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.387 -31.020 14.427 1.00 0.00 C ATOM 1135 C ILE A 72 -3.741 -30.302 14.514 1.00 0.00 C ATOM 1136 O ILE A 72 -4.789 -30.957 14.519 1.00 0.00 O ATOM 1137 CB ILE A 72 -1.927 -31.317 12.973 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.763 -30.006 12.172 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -2.837 -32.323 12.235 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.084 -30.191 10.812 1.00 0.00 C ATOM 0 H ILE A 72 -3.440 -32.620 15.230 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.629 -30.355 14.842 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.954 -31.802 13.049 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.746 -29.560 12.019 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.181 -29.300 12.765 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.458 -32.484 11.226 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.846 -33.270 12.775 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.851 -31.926 12.182 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.005 -29.226 10.310 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.087 -30.607 10.957 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.676 -30.871 10.199 1.00 0.00 H new ATOM 1152 N SER A 73 -3.716 -28.970 14.552 1.00 0.00 N ATOM 1153 CA SER A 73 -4.889 -28.105 14.597 1.00 0.00 C ATOM 1154 C SER A 73 -4.616 -26.871 13.736 1.00 0.00 C ATOM 1155 O SER A 73 -3.460 -26.466 13.584 1.00 0.00 O ATOM 1156 CB SER A 73 -5.176 -27.686 16.048 1.00 0.00 C ATOM 1157 OG SER A 73 -5.349 -28.809 16.901 1.00 0.00 O ATOM 0 H SER A 73 -2.841 -28.445 14.552 1.00 0.00 H new ATOM 0 HA SER A 73 -5.760 -28.637 14.214 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.354 -27.073 16.418 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.073 -27.067 16.076 1.00 0.00 H new ATOM 0 HG SER A 73 -5.528 -28.502 17.814 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.671 -26.264 13.187 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.596 -25.119 12.286 1.00 0.00 C ATOM 1165 C VAL A 74 -6.674 -24.112 12.712 1.00 0.00 C ATOM 1166 O VAL A 74 -7.769 -24.504 13.131 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.779 -25.580 10.817 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -5.627 -24.423 9.815 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.778 -26.677 10.419 1.00 0.00 C ATOM 0 H VAL A 74 -6.628 -26.567 13.365 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.618 -24.641 12.345 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.795 -25.973 10.774 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.764 -24.799 8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.377 -23.660 10.024 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.632 -23.989 9.909 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.948 -26.965 9.382 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.761 -26.299 10.529 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.914 -27.545 11.064 1.00 0.00 H new ATOM 1179 N THR A 75 -6.369 -22.824 12.565 1.00 0.00 N ATOM 1180 CA THR A 75 -7.252 -21.691 12.813 1.00 0.00 C ATOM 1181 C THR A 75 -7.021 -20.698 11.658 1.00 0.00 C ATOM 1182 O THR A 75 -6.012 -20.792 10.953 1.00 0.00 O ATOM 1183 CB THR A 75 -6.945 -21.089 14.207 1.00 0.00 C ATOM 1184 OG1 THR A 75 -6.764 -22.107 15.181 1.00 0.00 O ATOM 1185 CG2 THR A 75 -8.057 -20.160 14.711 1.00 0.00 C ATOM 0 H THR A 75 -5.445 -22.529 12.251 1.00 0.00 H new ATOM 0 HA THR A 75 -8.305 -21.973 12.835 1.00 0.00 H new ATOM 0 HB THR A 75 -6.029 -20.513 14.075 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.570 -21.698 16.050 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.787 -19.768 15.692 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.185 -19.333 14.012 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.990 -20.718 14.788 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.942 -19.761 11.431 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.960 -18.902 10.249 1.00 0.00 C ATOM 1195 C GLU A 76 -8.323 -17.470 10.638 1.00 0.00 C ATOM 1196 O GLU A 76 -8.868 -17.225 11.719 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.997 -19.438 9.245 1.00 0.00 C ATOM 1198 CG GLU A 76 -8.480 -20.650 8.470 1.00 0.00 C ATOM 1199 CD GLU A 76 -9.558 -21.227 7.534 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -9.924 -20.572 6.532 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -10.064 -22.342 7.801 1.00 0.00 O ATOM 0 H GLU A 76 -8.710 -19.575 12.076 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.969 -18.904 9.795 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.908 -19.711 9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.263 -18.647 8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.606 -20.363 7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.156 -21.420 9.171 1.00 0.00 H new ATOM 1208 N SER A 77 -8.055 -16.518 9.742 1.00 0.00 N ATOM 1209 CA SER A 77 -8.566 -15.152 9.797 1.00 0.00 C ATOM 1210 C SER A 77 -8.602 -14.566 8.381 1.00 0.00 C ATOM 1211 O SER A 77 -7.759 -14.888 7.539 1.00 0.00 O ATOM 1212 CB SER A 77 -7.676 -14.292 10.710 1.00 0.00 C ATOM 1213 OG SER A 77 -7.764 -14.740 12.051 1.00 0.00 O ATOM 0 H SER A 77 -7.457 -16.685 8.933 1.00 0.00 H new ATOM 0 HA SER A 77 -9.576 -15.158 10.207 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.641 -14.341 10.371 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.982 -13.248 10.648 1.00 0.00 H new ATOM 0 HG SER A 77 -8.282 -15.571 12.085 1.00 0.00 H new ATOM 1219 N ARG A 78 -9.582 -13.690 8.121 1.00 0.00 N ATOM 1220 CA ARG A 78 -9.603 -12.874 6.904 1.00 0.00 C ATOM 1221 C ARG A 78 -8.572 -11.752 7.030 1.00 0.00 C ATOM 1222 O ARG A 78 -7.864 -11.459 6.067 1.00 0.00 O ATOM 1223 CB ARG A 78 -11.004 -12.278 6.659 1.00 0.00 C ATOM 1224 CG ARG A 78 -12.161 -13.291 6.592 1.00 0.00 C ATOM 1225 CD ARG A 78 -11.935 -14.397 5.556 1.00 0.00 C ATOM 1226 NE ARG A 78 -13.110 -15.279 5.430 1.00 0.00 N ATOM 1227 CZ ARG A 78 -14.157 -15.100 4.613 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -14.227 -14.038 3.813 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -15.142 -15.994 4.602 1.00 0.00 N ATOM 0 H ARG A 78 -10.374 -13.529 8.743 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.355 -13.509 6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.218 -11.563 7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.982 -11.718 5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.296 -13.744 7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.085 -12.763 6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.712 -13.948 4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.065 -14.989 5.840 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.128 -16.108 6.024 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.477 -13.347 3.816 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.031 -13.916 3.197 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.097 -16.810 5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.942 -15.864 3.983 1.00 0.00 H new ATOM 1243 N SER A 79 -8.491 -11.135 8.212 1.00 0.00 N ATOM 1244 CA SER A 79 -7.503 -10.133 8.565 1.00 0.00 C ATOM 1245 C SER A 79 -6.096 -10.725 8.459 1.00 0.00 C ATOM 1246 O SER A 79 -5.907 -11.937 8.589 1.00 0.00 O ATOM 1247 CB SER A 79 -7.784 -9.645 9.993 1.00 0.00 C ATOM 1248 OG SER A 79 -9.167 -9.358 10.168 1.00 0.00 O ATOM 0 H SER A 79 -9.141 -11.333 8.973 1.00 0.00 H new ATOM 0 HA SER A 79 -7.565 -9.289 7.878 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.473 -10.405 10.709 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.194 -8.752 10.199 1.00 0.00 H new ATOM 0 HG SER A 79 -9.324 -9.050 11.085 1.00 0.00 H new ATOM 1254 N LEU A 80 -5.110 -9.849 8.270 1.00 0.00 N ATOM 1255 CA LEU A 80 -3.711 -10.203 8.057 1.00 0.00 C ATOM 1256 C LEU A 80 -2.841 -9.399 9.022 1.00 0.00 C ATOM 1257 O LEU A 80 -3.163 -8.253 9.348 1.00 0.00 O ATOM 1258 CB LEU A 80 -3.275 -9.874 6.615 1.00 0.00 C ATOM 1259 CG LEU A 80 -4.087 -10.527 5.481 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -3.571 -10.015 4.133 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -4.012 -12.055 5.505 1.00 0.00 C ATOM 0 H LEU A 80 -5.270 -8.842 8.261 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.595 -11.273 8.229 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.318 -8.793 6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.232 -10.168 6.499 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.132 -10.252 5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.143 -10.474 3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.685 -8.932 4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.518 -10.274 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.603 -12.461 4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.974 -12.370 5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.406 -12.424 6.452 1.00 0.00 H new ATOM 1273 N GLU A 81 -1.708 -9.972 9.423 1.00 0.00 N ATOM 1274 CA GLU A 81 -0.598 -9.234 10.012 1.00 0.00 C ATOM 1275 C GLU A 81 0.155 -8.486 8.906 1.00 0.00 C ATOM 1276 O GLU A 81 0.622 -7.366 9.124 1.00 0.00 O ATOM 1277 CB GLU A 81 0.349 -10.202 10.740 1.00 0.00 C ATOM 1278 CG GLU A 81 -0.219 -10.762 12.054 1.00 0.00 C ATOM 1279 CD GLU A 81 -0.434 -9.672 13.121 1.00 0.00 C ATOM 1280 OE1 GLU A 81 0.557 -9.188 13.715 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -1.598 -9.301 13.393 1.00 0.00 O ATOM 0 H GLU A 81 -1.535 -10.974 9.346 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.981 -8.515 10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.585 -11.033 10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.286 -9.687 10.951 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.168 -11.259 11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.461 -11.519 12.446 1.00 0.00 H new ATOM 1288 N GLY A 82 0.232 -9.077 7.710 1.00 0.00 N ATOM 1289 CA GLY A 82 0.831 -8.466 6.532 1.00 0.00 C ATOM 1290 C GLY A 82 2.311 -8.820 6.416 1.00 0.00 C ATOM 1291 O GLY A 82 3.128 -7.944 6.122 1.00 0.00 O ATOM 0 H GLY A 82 -0.130 -10.015 7.536 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.304 -8.800 5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.717 -7.383 6.583 1.00 0.00 H new ATOM 1295 N HIS A 83 2.678 -10.076 6.691 1.00 0.00 N ATOM 1296 CA HIS A 83 4.044 -10.550 6.508 1.00 0.00 C ATOM 1297 C HIS A 83 4.474 -10.350 5.045 1.00 0.00 C ATOM 1298 O HIS A 83 3.652 -10.447 4.131 1.00 0.00 O ATOM 1299 CB HIS A 83 4.139 -12.031 6.899 1.00 0.00 C ATOM 1300 CG HIS A 83 3.898 -12.325 8.357 1.00 0.00 C ATOM 1301 ND1 HIS A 83 2.671 -12.418 8.968 1.00 0.00 N ATOM 1302 CD2 HIS A 83 4.842 -12.633 9.300 1.00 0.00 C ATOM 1303 CE1 HIS A 83 2.867 -12.760 10.250 1.00 0.00 C ATOM 1304 NE2 HIS A 83 4.179 -12.908 10.503 1.00 0.00 N ATOM 0 H HIS A 83 2.036 -10.786 7.045 1.00 0.00 H new ATOM 0 HA HIS A 83 4.714 -9.977 7.150 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.417 -12.594 6.307 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.129 -12.399 6.629 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.767 -12.255 8.524 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.910 -12.659 9.144 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.081 -12.897 10.977 1.00 0.00 H new ATOM 1312 N HIS A 84 5.772 -10.115 4.828 1.00 0.00 N ATOM 1313 CA HIS A 84 6.363 -9.880 3.504 1.00 0.00 C ATOM 1314 C HIS A 84 7.416 -10.945 3.141 1.00 0.00 C ATOM 1315 O HIS A 84 7.891 -10.979 2.004 1.00 0.00 O ATOM 1316 CB HIS A 84 6.947 -8.456 3.445 1.00 0.00 C ATOM 1317 CG HIS A 84 5.926 -7.365 3.208 1.00 0.00 C ATOM 1318 ND1 HIS A 84 4.828 -7.052 3.983 1.00 0.00 N ATOM 1319 CD2 HIS A 84 5.933 -6.481 2.160 1.00 0.00 C ATOM 1320 CE1 HIS A 84 4.193 -6.015 3.414 1.00 0.00 C ATOM 1321 NE2 HIS A 84 4.830 -5.625 2.293 1.00 0.00 N ATOM 0 H HIS A 84 6.457 -10.082 5.583 1.00 0.00 H new ATOM 0 HA HIS A 84 5.576 -9.968 2.755 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.467 -8.252 4.381 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.693 -8.416 2.651 1.00 0.00 H new ATOM 0 HD1 HIS A 84 4.547 -7.527 4.841 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.664 -6.449 1.366 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.295 -5.557 3.802 1.00 0.00 H new ATOM 1329 N ARG A 85 7.762 -11.839 4.073 1.00 0.00 N ATOM 1330 CA ARG A 85 8.577 -13.035 3.856 1.00 0.00 C ATOM 1331 C ARG A 85 8.111 -14.100 4.845 1.00 0.00 C ATOM 1332 O ARG A 85 7.244 -13.813 5.676 1.00 0.00 O ATOM 1333 CB ARG A 85 10.081 -12.724 4.013 1.00 0.00 C ATOM 1334 CG ARG A 85 10.476 -12.152 5.391 1.00 0.00 C ATOM 1335 CD ARG A 85 11.977 -12.319 5.658 1.00 0.00 C ATOM 1336 NE ARG A 85 12.308 -13.735 5.903 1.00 0.00 N ATOM 1337 CZ ARG A 85 13.364 -14.415 5.442 1.00 0.00 C ATOM 1338 NH1 ARG A 85 14.354 -13.796 4.805 1.00 0.00 N ATOM 1339 NH2 ARG A 85 13.407 -15.729 5.624 1.00 0.00 N ATOM 0 H ARG A 85 7.467 -11.742 5.044 1.00 0.00 H new ATOM 0 HA ARG A 85 8.450 -13.399 2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.648 -13.638 3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.375 -12.013 3.241 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.212 -11.095 5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.908 -12.657 6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.547 -11.949 4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.267 -11.718 6.520 1.00 0.00 H new ATOM 0 HE ARG A 85 11.657 -14.256 6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.316 -12.787 4.661 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.151 -14.330 4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.644 -16.202 6.108 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.203 -16.266 5.280 1.00 0.00 H new ATOM 1353 N PHE A 86 8.672 -15.309 4.787 1.00 0.00 N ATOM 1354 CA PHE A 86 8.412 -16.342 5.782 1.00 0.00 C ATOM 1355 C PHE A 86 9.684 -16.548 6.594 1.00 0.00 C ATOM 1356 O PHE A 86 10.761 -16.639 5.993 1.00 0.00 O ATOM 1357 CB PHE A 86 7.942 -17.639 5.115 1.00 0.00 C ATOM 1358 CG PHE A 86 7.350 -18.611 6.115 1.00 0.00 C ATOM 1359 CD1 PHE A 86 8.186 -19.450 6.875 1.00 0.00 C ATOM 1360 CD2 PHE A 86 5.957 -18.650 6.317 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.636 -20.302 7.842 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.408 -19.485 7.304 1.00 0.00 C ATOM 1363 CZ PHE A 86 6.250 -20.306 8.069 1.00 0.00 C ATOM 0 H PHE A 86 9.317 -15.596 4.050 1.00 0.00 H new ATOM 0 HA PHE A 86 7.607 -16.031 6.448 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.198 -17.406 4.353 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.783 -18.110 4.606 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.254 -19.437 6.713 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.308 -18.035 5.711 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.278 -20.956 8.413 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.341 -19.495 7.473 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.831 -20.943 8.834 1.00 0.00 H new ATOM 1373 N SER A 87 9.585 -16.655 7.921 1.00 0.00 N ATOM 1374 CA SER A 87 10.769 -16.685 8.779 1.00 0.00 C ATOM 1375 C SER A 87 10.676 -17.743 9.878 1.00 0.00 C ATOM 1376 O SER A 87 9.649 -17.900 10.538 1.00 0.00 O ATOM 1377 CB SER A 87 10.958 -15.297 9.404 1.00 0.00 C ATOM 1378 OG SER A 87 10.952 -14.290 8.402 1.00 0.00 O ATOM 0 H SER A 87 8.699 -16.722 8.422 1.00 0.00 H new ATOM 0 HA SER A 87 11.626 -16.952 8.160 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.162 -15.105 10.124 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.899 -15.265 9.953 1.00 0.00 H new ATOM 0 HG SER A 87 11.072 -13.412 8.820 1.00 0.00 H new ATOM 1384 N ILE A 88 11.782 -18.432 10.141 1.00 0.00 N ATOM 1385 CA ILE A 88 11.958 -19.166 11.388 1.00 0.00 C ATOM 1386 C ILE A 88 12.219 -18.098 12.458 1.00 0.00 C ATOM 1387 O ILE A 88 13.015 -17.180 12.233 1.00 0.00 O ATOM 1388 CB ILE A 88 13.118 -20.177 11.249 1.00 0.00 C ATOM 1389 CG1 ILE A 88 12.821 -21.212 10.136 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.361 -20.907 12.583 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.082 -21.878 9.574 1.00 0.00 C ATOM 0 H ILE A 88 12.574 -18.497 9.502 1.00 0.00 H new ATOM 0 HA ILE A 88 11.085 -19.761 11.658 1.00 0.00 H new ATOM 0 HB ILE A 88 14.015 -19.620 10.978 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.158 -21.981 10.533 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.287 -20.719 9.324 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.181 -21.615 12.466 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.616 -20.180 13.354 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.458 -21.443 12.874 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.802 -22.591 8.799 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.736 -21.117 9.148 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.606 -22.400 10.375 1.00 0.00 H new ATOM 1403 N VAL A 89 11.561 -18.212 13.612 1.00 0.00 N ATOM 1404 CA VAL A 89 11.702 -17.290 14.735 1.00 0.00 C ATOM 1405 C VAL A 89 11.908 -18.102 16.023 1.00 0.00 C ATOM 1406 O VAL A 89 11.759 -19.328 16.026 1.00 0.00 O ATOM 1407 CB VAL A 89 10.512 -16.296 14.789 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.388 -15.474 13.496 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.158 -16.960 15.089 1.00 0.00 C ATOM 0 H VAL A 89 10.900 -18.967 13.794 1.00 0.00 H new ATOM 0 HA VAL A 89 12.584 -16.662 14.609 1.00 0.00 H new ATOM 0 HB VAL A 89 10.750 -15.637 15.624 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.542 -14.792 13.578 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.302 -14.901 13.340 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.232 -16.145 12.652 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.377 -16.200 15.110 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.932 -17.692 14.313 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.204 -17.460 16.057 1.00 0.00 H new ATOM 1419 N TYR A 90 12.277 -17.423 17.112 1.00 0.00 N ATOM 1420 CA TYR A 90 12.780 -18.047 18.339 1.00 0.00 C ATOM 1421 C TYR A 90 12.169 -17.382 19.587 1.00 0.00 C ATOM 1422 O TYR A 90 12.760 -17.412 20.670 1.00 0.00 O ATOM 1423 CB TYR A 90 14.320 -17.980 18.335 1.00 0.00 C ATOM 1424 CG TYR A 90 14.984 -18.602 17.116 1.00 0.00 C ATOM 1425 CD1 TYR A 90 15.258 -19.985 17.087 1.00 0.00 C ATOM 1426 CD2 TYR A 90 15.317 -17.802 16.004 1.00 0.00 C ATOM 1427 CE1 TYR A 90 15.860 -20.566 15.955 1.00 0.00 C ATOM 1428 CE2 TYR A 90 15.907 -18.377 14.865 1.00 0.00 C ATOM 1429 CZ TYR A 90 16.184 -19.763 14.836 1.00 0.00 C ATOM 1430 OH TYR A 90 16.766 -20.308 13.730 1.00 0.00 O ATOM 0 H TYR A 90 12.234 -16.405 17.167 1.00 0.00 H new ATOM 0 HA TYR A 90 12.479 -19.094 18.373 1.00 0.00 H new ATOM 0 HB2 TYR A 90 14.624 -16.935 18.403 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.693 -18.480 19.229 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.005 -20.601 17.937 1.00 0.00 H new ATOM 0 HD2 TYR A 90 15.118 -16.741 16.027 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.075 -21.624 15.941 1.00 0.00 H new ATOM 0 HE2 TYR A 90 16.149 -17.760 14.012 1.00 0.00 H new ATOM 0 HH TYR A 90 16.916 -19.608 13.061 1.00 0.00 H new ATOM 1440 N SER A 91 11.011 -16.735 19.419 1.00 0.00 N ATOM 1441 CA SER A 91 10.280 -16.007 20.447 1.00 0.00 C ATOM 1442 C SER A 91 10.069 -16.867 21.696 1.00 0.00 C ATOM 1443 O SER A 91 10.323 -16.368 22.812 1.00 0.00 O ATOM 1444 CB SER A 91 8.943 -15.526 19.864 1.00 0.00 C ATOM 1445 OG SER A 91 9.130 -14.981 18.561 1.00 0.00 O ATOM 1446 OXT SER A 91 9.640 -18.033 21.565 1.00 0.00 O ATOM 0 H SER A 91 10.539 -16.707 18.515 1.00 0.00 H new ATOM 0 HA SER A 91 10.865 -15.142 20.759 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.240 -16.358 19.818 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.504 -14.773 20.519 1.00 0.00 H new ATOM 0 HG SER A 91 8.268 -14.681 18.205 1.00 0.00 H new TER 1452 SER A 91 HETATM 1453 P PO4 A 92 13.821 -28.660 14.565 1.00 0.00 P HETATM 1454 O1 PO4 A 92 13.243 -29.946 14.158 1.00 0.00 O HETATM 1455 O2 PO4 A 92 13.120 -27.552 13.903 1.00 0.00 O HETATM 1456 O3 PO4 A 92 13.694 -28.506 16.024 1.00 0.00 O HETATM 1457 O4 PO4 A 92 15.250 -28.616 14.212 1.00 0.00 O