USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 148:sc= 0.0157 (180deg=0) USER MOD Single : A 2 SER OG : rot 34:sc= 0.73 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0318 USER MOD Single : A 9 HIS : no HD1:sc= -0.0206 X(o=-0.021,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -170:sc= 1.24 USER MOD Single : A 19 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.54) USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00178) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 177:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.3 K(o=-0.3,f=-1.1) USER MOD Single : A 38 MET CE :methyl -142:sc= -1.6 (180deg=-3.56!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= -0.0121 (180deg=-0.155) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0484 X(o=-0.048,f=-0.46) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.109 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HD1:sc= -2.29 K(o=-2.3,f=-1.4) USER MOD Single : A 62 HIS : no HD1:sc= -0.534 X(o=-0.53,f=-0.55) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.593 7.179 -5.593 1.00 0.00 N ATOM 2 CA GLY A 1 26.369 6.567 -6.078 1.00 0.00 C ATOM 3 C GLY A 1 25.658 5.765 -5.006 1.00 0.00 C ATOM 4 O GLY A 1 26.299 5.165 -4.143 1.00 0.00 O ATOM 0 H1 GLY A 1 28.285 7.233 -6.368 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.388 8.137 -5.245 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.985 6.606 -4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.701 7.344 -6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.601 5.916 -6.921 1.00 0.00 H new ATOM 8 N SER A 2 24.330 5.757 -5.058 1.00 0.00 N ATOM 9 CA SER A 2 23.531 5.027 -4.081 1.00 0.00 C ATOM 10 C SER A 2 22.357 4.324 -4.755 1.00 0.00 C ATOM 11 O SER A 2 21.454 4.971 -5.286 1.00 0.00 O ATOM 12 CB SER A 2 23.018 5.978 -2.998 1.00 0.00 C ATOM 13 OG SER A 2 22.170 6.970 -3.550 1.00 0.00 O ATOM 0 H SER A 2 23.785 6.248 -5.766 1.00 0.00 H new ATOM 0 HA SER A 2 24.167 4.272 -3.620 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.476 5.412 -2.240 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.862 6.454 -2.498 1.00 0.00 H new ATOM 0 HG SER A 2 21.661 6.588 -4.295 1.00 0.00 H new ATOM 19 N SER A 3 22.376 2.996 -4.729 1.00 0.00 N ATOM 20 CA SER A 3 21.315 2.204 -5.340 1.00 0.00 C ATOM 21 C SER A 3 19.942 2.711 -4.911 1.00 0.00 C ATOM 22 O SER A 3 19.133 3.124 -5.740 1.00 0.00 O ATOM 23 CB SER A 3 21.468 0.729 -4.962 1.00 0.00 C ATOM 24 OG SER A 3 22.744 0.237 -5.335 1.00 0.00 O ATOM 0 H SER A 3 23.115 2.445 -4.291 1.00 0.00 H new ATOM 0 HA SER A 3 21.398 2.305 -6.422 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.328 0.609 -3.888 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.691 0.142 -5.452 1.00 0.00 H new ATOM 0 HG SER A 3 22.818 -0.707 -5.081 1.00 0.00 H new ATOM 30 N GLY A 4 19.687 2.676 -3.606 1.00 0.00 N ATOM 31 CA GLY A 4 18.411 3.134 -3.087 1.00 0.00 C ATOM 32 C GLY A 4 17.870 2.230 -1.998 1.00 0.00 C ATOM 33 O GLY A 4 17.978 2.542 -0.812 1.00 0.00 O ATOM 0 H GLY A 4 20.341 2.339 -2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.524 4.144 -2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.689 3.188 -3.902 1.00 0.00 H new ATOM 37 N SER A 5 17.283 1.107 -2.401 1.00 0.00 N ATOM 38 CA SER A 5 16.717 0.157 -1.450 1.00 0.00 C ATOM 39 C SER A 5 17.650 -1.034 -1.253 1.00 0.00 C ATOM 40 O SER A 5 18.122 -1.634 -2.218 1.00 0.00 O ATOM 41 CB SER A 5 15.349 -0.327 -1.934 1.00 0.00 C ATOM 42 OG SER A 5 14.715 -1.128 -0.952 1.00 0.00 O ATOM 0 H SER A 5 17.187 0.833 -3.379 1.00 0.00 H new ATOM 0 HA SER A 5 16.597 0.665 -0.493 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.719 0.531 -2.170 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.467 -0.899 -2.854 1.00 0.00 H new ATOM 0 HG SER A 5 13.842 -1.423 -1.285 1.00 0.00 H new ATOM 48 N SER A 6 17.910 -1.372 0.006 1.00 0.00 N ATOM 49 CA SER A 6 18.788 -2.489 0.333 1.00 0.00 C ATOM 50 C SER A 6 17.989 -3.664 0.887 1.00 0.00 C ATOM 51 O SER A 6 18.101 -4.789 0.402 1.00 0.00 O ATOM 52 CB SER A 6 19.847 -2.053 1.347 1.00 0.00 C ATOM 53 OG SER A 6 19.248 -1.457 2.485 1.00 0.00 O ATOM 0 H SER A 6 17.525 -0.888 0.817 1.00 0.00 H new ATOM 0 HA SER A 6 19.284 -2.810 -0.583 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.439 -2.916 1.653 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.533 -1.346 0.880 1.00 0.00 H new ATOM 0 HG SER A 6 19.945 -1.188 3.119 1.00 0.00 H new ATOM 59 N GLY A 7 17.182 -3.394 1.908 1.00 0.00 N ATOM 60 CA GLY A 7 16.376 -4.438 2.513 1.00 0.00 C ATOM 61 C GLY A 7 15.769 -4.010 3.835 1.00 0.00 C ATOM 62 O GLY A 7 16.460 -3.466 4.696 1.00 0.00 O ATOM 0 H GLY A 7 17.072 -2.471 2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.579 -4.721 1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.992 -5.324 2.669 1.00 0.00 H new ATOM 66 N VAL A 8 14.473 -4.255 3.996 1.00 0.00 N ATOM 67 CA VAL A 8 13.773 -3.891 5.222 1.00 0.00 C ATOM 68 C VAL A 8 14.080 -4.876 6.344 1.00 0.00 C ATOM 69 O VAL A 8 13.300 -5.790 6.614 1.00 0.00 O ATOM 70 CB VAL A 8 12.249 -3.838 5.004 1.00 0.00 C ATOM 71 CG1 VAL A 8 11.563 -3.164 6.183 1.00 0.00 C ATOM 72 CG2 VAL A 8 11.922 -3.118 3.704 1.00 0.00 C ATOM 0 H VAL A 8 13.886 -4.704 3.293 1.00 0.00 H new ATOM 0 HA VAL A 8 14.127 -2.900 5.505 1.00 0.00 H new ATOM 0 HB VAL A 8 11.874 -4.859 4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.487 -3.136 6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.770 -3.726 7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.940 -2.147 6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.841 -3.090 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.309 -2.100 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.381 -3.648 2.869 1.00 0.00 H new ATOM 82 N HIS A 9 15.223 -4.684 6.996 1.00 0.00 N ATOM 83 CA HIS A 9 15.634 -5.555 8.091 1.00 0.00 C ATOM 84 C HIS A 9 14.476 -5.803 9.053 1.00 0.00 C ATOM 85 O HIS A 9 14.223 -6.937 9.458 1.00 0.00 O ATOM 86 CB HIS A 9 16.815 -4.941 8.844 1.00 0.00 C ATOM 87 CG HIS A 9 17.602 -5.938 9.638 1.00 0.00 C ATOM 88 ND1 HIS A 9 17.862 -5.791 10.984 1.00 0.00 N ATOM 89 CD2 HIS A 9 18.187 -7.101 9.268 1.00 0.00 C ATOM 90 CE1 HIS A 9 18.574 -6.820 11.407 1.00 0.00 C ATOM 91 NE2 HIS A 9 18.784 -7.630 10.385 1.00 0.00 N ATOM 0 H HIS A 9 15.880 -3.933 6.785 1.00 0.00 H new ATOM 0 HA HIS A 9 15.941 -6.511 7.666 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.478 -4.454 8.129 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.444 -4.166 9.515 1.00 0.00 H new ATOM 0 HD2 HIS A 9 18.185 -7.533 8.278 1.00 0.00 H new ATOM 0 HE1 HIS A 9 18.925 -6.973 12.417 1.00 0.00 H new ATOM 0 HE2 HIS A 9 19.305 -8.506 10.420 1.00 0.00 H new ATOM 100 N VAL A 10 13.775 -4.733 9.415 1.00 0.00 N ATOM 101 CA VAL A 10 12.643 -4.834 10.329 1.00 0.00 C ATOM 102 C VAL A 10 11.370 -5.223 9.587 1.00 0.00 C ATOM 103 O VAL A 10 11.400 -5.502 8.388 1.00 0.00 O ATOM 104 CB VAL A 10 12.404 -3.507 11.075 1.00 0.00 C ATOM 105 CG1 VAL A 10 11.841 -3.769 12.463 1.00 0.00 C ATOM 106 CG2 VAL A 10 13.692 -2.702 11.156 1.00 0.00 C ATOM 0 H VAL A 10 13.971 -3.786 9.089 1.00 0.00 H new ATOM 0 HA VAL A 10 12.889 -5.611 11.053 1.00 0.00 H new ATOM 0 HB VAL A 10 11.672 -2.923 10.517 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.679 -2.820 12.975 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.894 -4.302 12.377 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.546 -4.373 13.034 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.505 -1.768 11.686 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.448 -3.277 11.691 1.00 0.00 H new ATOM 0 HG23 VAL A 10 14.048 -2.483 10.149 1.00 0.00 H new ATOM 116 N GLU A 11 10.253 -5.240 10.307 1.00 0.00 N ATOM 117 CA GLU A 11 8.969 -5.597 9.715 1.00 0.00 C ATOM 118 C GLU A 11 7.822 -5.273 10.669 1.00 0.00 C ATOM 119 O GLU A 11 7.665 -5.914 11.708 1.00 0.00 O ATOM 120 CB GLU A 11 8.943 -7.083 9.355 1.00 0.00 C ATOM 121 CG GLU A 11 7.887 -7.441 8.323 1.00 0.00 C ATOM 122 CD GLU A 11 8.038 -8.857 7.800 1.00 0.00 C ATOM 123 OE1 GLU A 11 7.858 -9.805 8.592 1.00 0.00 O ATOM 124 OE2 GLU A 11 8.336 -9.015 6.598 1.00 0.00 O ATOM 0 H GLU A 11 10.211 -5.011 11.300 1.00 0.00 H new ATOM 0 HA GLU A 11 8.841 -5.009 8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.923 -7.373 8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.766 -7.664 10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.898 -7.325 8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.947 -6.741 7.489 1.00 0.00 H new ATOM 131 N ASP A 12 7.024 -4.275 10.307 1.00 0.00 N ATOM 132 CA ASP A 12 5.891 -3.865 11.129 1.00 0.00 C ATOM 133 C ASP A 12 4.633 -3.708 10.281 1.00 0.00 C ATOM 134 O ASP A 12 4.652 -3.948 9.074 1.00 0.00 O ATOM 135 CB ASP A 12 6.204 -2.553 11.849 1.00 0.00 C ATOM 136 CG ASP A 12 7.430 -2.656 12.735 1.00 0.00 C ATOM 137 OD1 ASP A 12 7.280 -3.042 13.912 1.00 0.00 O ATOM 138 OD2 ASP A 12 8.539 -2.349 12.250 1.00 0.00 O ATOM 0 H ASP A 12 7.140 -3.735 9.450 1.00 0.00 H new ATOM 0 HA ASP A 12 5.712 -4.643 11.871 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.358 -1.765 11.112 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.346 -2.260 12.454 1.00 0.00 H new ATOM 143 N ALA A 13 3.541 -3.303 10.921 1.00 0.00 N ATOM 144 CA ALA A 13 2.274 -3.113 10.225 1.00 0.00 C ATOM 145 C ALA A 13 1.622 -1.794 10.624 1.00 0.00 C ATOM 146 O ALA A 13 1.548 -0.859 9.826 1.00 0.00 O ATOM 147 CB ALA A 13 1.335 -4.276 10.510 1.00 0.00 C ATOM 0 H ALA A 13 3.508 -3.100 11.920 1.00 0.00 H new ATOM 0 HA ALA A 13 2.477 -3.079 9.155 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.393 -4.121 9.984 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.792 -5.205 10.169 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.146 -4.337 11.582 1.00 0.00 H new ATOM 153 N LEU A 14 1.148 -1.724 11.864 1.00 0.00 N ATOM 154 CA LEU A 14 0.500 -0.519 12.369 1.00 0.00 C ATOM 155 C LEU A 14 1.367 0.711 12.118 1.00 0.00 C ATOM 156 O LEU A 14 0.858 1.816 11.930 1.00 0.00 O ATOM 157 CB LEU A 14 0.214 -0.659 13.865 1.00 0.00 C ATOM 158 CG LEU A 14 1.373 -1.163 14.726 1.00 0.00 C ATOM 159 CD1 LEU A 14 2.218 0.001 15.219 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.850 -1.979 15.899 1.00 0.00 C ATOM 0 H LEU A 14 1.201 -2.488 12.538 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.442 -0.392 11.836 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.100 0.312 14.247 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.629 -1.339 13.991 1.00 0.00 H new ATOM 0 HG LEU A 14 2.002 -1.807 14.112 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.038 -0.377 15.830 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.623 0.544 14.365 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.600 0.672 15.816 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.688 -2.330 16.501 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.198 -1.358 16.512 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.289 -2.835 15.525 1.00 0.00 H new ATOM 172 N THR A 15 2.682 0.511 12.115 1.00 0.00 N ATOM 173 CA THR A 15 3.620 1.603 11.887 1.00 0.00 C ATOM 174 C THR A 15 3.308 2.332 10.585 1.00 0.00 C ATOM 175 O THR A 15 3.350 3.561 10.526 1.00 0.00 O ATOM 176 CB THR A 15 5.073 1.095 11.842 1.00 0.00 C ATOM 177 OG1 THR A 15 5.487 0.678 13.149 1.00 0.00 O ATOM 178 CG2 THR A 15 6.010 2.178 11.330 1.00 0.00 C ATOM 0 H THR A 15 3.121 -0.397 12.268 1.00 0.00 H new ATOM 0 HA THR A 15 3.510 2.294 12.723 1.00 0.00 H new ATOM 0 HB THR A 15 5.117 0.247 11.159 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.411 0.355 13.112 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.030 1.795 11.307 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.710 2.473 10.324 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.962 3.043 11.991 1.00 0.00 H new ATOM 186 N TYR A 16 2.996 1.568 9.545 1.00 0.00 N ATOM 187 CA TYR A 16 2.679 2.142 8.243 1.00 0.00 C ATOM 188 C TYR A 16 1.415 2.994 8.316 1.00 0.00 C ATOM 189 O TYR A 16 1.265 3.968 7.577 1.00 0.00 O ATOM 190 CB TYR A 16 2.501 1.034 7.203 1.00 0.00 C ATOM 191 CG TYR A 16 1.939 1.523 5.887 1.00 0.00 C ATOM 192 CD1 TYR A 16 0.622 1.955 5.789 1.00 0.00 C ATOM 193 CD2 TYR A 16 2.725 1.554 4.742 1.00 0.00 C ATOM 194 CE1 TYR A 16 0.104 2.401 4.589 1.00 0.00 C ATOM 195 CE2 TYR A 16 2.216 2.000 3.538 1.00 0.00 C ATOM 196 CZ TYR A 16 0.905 2.422 3.466 1.00 0.00 C ATOM 197 OH TYR A 16 0.393 2.868 2.269 1.00 0.00 O ATOM 0 H TYR A 16 2.956 0.549 9.578 1.00 0.00 H new ATOM 0 HA TYR A 16 3.510 2.781 7.945 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.465 0.559 7.022 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.839 0.269 7.609 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.007 1.942 6.666 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.752 1.224 4.794 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.922 2.732 4.530 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.841 2.018 2.658 1.00 0.00 H new ATOM 0 HH TYR A 16 1.030 2.678 1.549 1.00 0.00 H new ATOM 207 N LEU A 17 0.509 2.619 9.212 1.00 0.00 N ATOM 208 CA LEU A 17 -0.744 3.348 9.384 1.00 0.00 C ATOM 209 C LEU A 17 -0.501 4.696 10.055 1.00 0.00 C ATOM 210 O LEU A 17 -0.943 5.734 9.563 1.00 0.00 O ATOM 211 CB LEU A 17 -1.728 2.521 10.213 1.00 0.00 C ATOM 212 CG LEU A 17 -3.211 2.761 9.931 1.00 0.00 C ATOM 213 CD1 LEU A 17 -3.691 1.864 8.801 1.00 0.00 C ATOM 214 CD2 LEU A 17 -4.038 2.529 11.187 1.00 0.00 C ATOM 0 H LEU A 17 0.618 1.815 9.830 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.171 3.526 8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.514 1.465 10.048 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.542 2.722 11.268 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.339 3.799 9.623 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.749 2.049 8.614 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.120 2.079 7.898 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.549 0.820 9.080 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.091 2.705 10.967 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.905 1.502 11.526 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.712 3.214 11.969 1.00 0.00 H new ATOM 226 N ASP A 18 0.204 4.672 11.181 1.00 0.00 N ATOM 227 CA ASP A 18 0.509 5.892 11.918 1.00 0.00 C ATOM 228 C ASP A 18 0.743 7.060 10.965 1.00 0.00 C ATOM 229 O ASP A 18 0.446 8.209 11.291 1.00 0.00 O ATOM 230 CB ASP A 18 1.740 5.686 12.803 1.00 0.00 C ATOM 231 CG ASP A 18 1.912 6.793 13.823 1.00 0.00 C ATOM 232 OD1 ASP A 18 0.915 7.151 14.484 1.00 0.00 O ATOM 233 OD2 ASP A 18 3.044 7.303 13.960 1.00 0.00 O ATOM 0 H ASP A 18 0.575 3.821 11.603 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.348 6.128 12.549 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.656 4.730 13.320 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.630 5.633 12.176 1.00 0.00 H new ATOM 238 N GLN A 19 1.277 6.757 9.786 1.00 0.00 N ATOM 239 CA GLN A 19 1.552 7.782 8.786 1.00 0.00 C ATOM 240 C GLN A 19 0.256 8.395 8.265 1.00 0.00 C ATOM 241 O GLN A 19 -0.014 9.577 8.482 1.00 0.00 O ATOM 242 CB GLN A 19 2.353 7.189 7.625 1.00 0.00 C ATOM 243 CG GLN A 19 3.823 6.978 7.946 1.00 0.00 C ATOM 244 CD GLN A 19 4.496 8.236 8.458 1.00 0.00 C ATOM 245 OE1 GLN A 19 4.216 9.339 7.987 1.00 0.00 O ATOM 246 NE2 GLN A 19 5.390 8.077 9.426 1.00 0.00 N ATOM 0 H GLN A 19 1.528 5.811 9.500 1.00 0.00 H new ATOM 0 HA GLN A 19 2.140 8.568 9.259 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.911 6.234 7.340 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.269 7.849 6.762 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.918 6.190 8.693 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.340 6.633 7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.591 7.144 9.787 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.876 8.888 9.809 1.00 0.00 H new ATOM 255 N VAL A 20 -0.542 7.585 7.577 1.00 0.00 N ATOM 256 CA VAL A 20 -1.809 8.049 7.025 1.00 0.00 C ATOM 257 C VAL A 20 -2.684 8.673 8.106 1.00 0.00 C ATOM 258 O VAL A 20 -3.422 9.624 7.851 1.00 0.00 O ATOM 259 CB VAL A 20 -2.584 6.898 6.355 1.00 0.00 C ATOM 260 CG1 VAL A 20 -2.541 5.649 7.223 1.00 0.00 C ATOM 261 CG2 VAL A 20 -4.020 7.315 6.076 1.00 0.00 C ATOM 0 H VAL A 20 -0.334 6.604 7.389 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.570 8.803 6.275 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.106 6.666 5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.093 4.847 6.734 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.505 5.341 7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.993 5.863 8.191 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.553 6.490 5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.512 7.575 7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.025 8.179 5.412 1.00 0.00 H new ATOM 271 N LYS A 21 -2.595 8.133 9.317 1.00 0.00 N ATOM 272 CA LYS A 21 -3.376 8.637 10.440 1.00 0.00 C ATOM 273 C LYS A 21 -2.956 10.059 10.800 1.00 0.00 C ATOM 274 O LYS A 21 -3.800 10.931 11.007 1.00 0.00 O ATOM 275 CB LYS A 21 -3.210 7.722 11.655 1.00 0.00 C ATOM 276 CG LYS A 21 -4.279 7.919 12.716 1.00 0.00 C ATOM 277 CD LYS A 21 -3.894 9.011 13.700 1.00 0.00 C ATOM 278 CE LYS A 21 -4.636 8.859 15.019 1.00 0.00 C ATOM 279 NZ LYS A 21 -6.100 9.076 14.860 1.00 0.00 N ATOM 0 H LYS A 21 -1.989 7.345 9.546 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.425 8.650 10.144 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.227 6.684 11.323 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.231 7.898 12.101 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.224 8.176 12.238 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.437 6.984 13.253 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.819 8.978 13.880 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.115 9.987 13.267 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.458 7.862 15.423 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.240 9.571 15.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.567 8.980 15.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.271 10.030 14.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.486 8.369 14.202 1.00 0.00 H new ATOM 293 N ILE A 22 -1.648 10.284 10.872 1.00 0.00 N ATOM 294 CA ILE A 22 -1.118 11.600 11.204 1.00 0.00 C ATOM 295 C ILE A 22 -1.192 12.541 10.006 1.00 0.00 C ATOM 296 O ILE A 22 -1.848 13.582 10.061 1.00 0.00 O ATOM 297 CB ILE A 22 0.343 11.514 11.685 1.00 0.00 C ATOM 298 CG1 ILE A 22 0.431 10.686 12.969 1.00 0.00 C ATOM 299 CG2 ILE A 22 0.911 12.908 11.906 1.00 0.00 C ATOM 300 CD1 ILE A 22 1.844 10.287 13.334 1.00 0.00 C ATOM 0 H ILE A 22 -0.937 9.572 10.705 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.735 11.994 12.011 1.00 0.00 H new ATOM 0 HB ILE A 22 0.936 11.020 10.915 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.000 11.258 13.791 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.174 9.787 12.854 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.944 12.830 12.246 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.878 13.467 10.971 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.319 13.427 12.660 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.831 9.703 14.254 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.272 9.688 12.530 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.448 11.182 13.481 1.00 0.00 H new ATOM 312 N ARG A 23 -0.516 12.168 8.924 1.00 0.00 N ATOM 313 CA ARG A 23 -0.505 12.978 7.712 1.00 0.00 C ATOM 314 C ARG A 23 -1.903 13.505 7.398 1.00 0.00 C ATOM 315 O ARG A 23 -2.116 14.714 7.309 1.00 0.00 O ATOM 316 CB ARG A 23 0.020 12.160 6.531 1.00 0.00 C ATOM 317 CG ARG A 23 0.530 13.011 5.380 1.00 0.00 C ATOM 318 CD ARG A 23 1.886 13.622 5.695 1.00 0.00 C ATOM 319 NE ARG A 23 2.414 14.393 4.573 1.00 0.00 N ATOM 320 CZ ARG A 23 2.037 15.635 4.293 1.00 0.00 C ATOM 321 NH1 ARG A 23 1.134 16.244 5.049 1.00 0.00 N ATOM 322 NH2 ARG A 23 2.563 16.271 3.254 1.00 0.00 N ATOM 0 H ARG A 23 0.031 11.310 8.862 1.00 0.00 H new ATOM 0 HA ARG A 23 0.157 13.828 7.879 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.825 11.513 6.878 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.776 11.511 6.167 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.605 12.400 4.480 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.187 13.804 5.167 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.798 14.268 6.569 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.589 12.830 5.953 1.00 0.00 H new ATOM 0 HE ARG A 23 3.111 13.953 3.971 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.727 15.758 5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.846 17.198 4.831 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.258 15.806 2.670 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.273 17.225 3.040 1.00 0.00 H new ATOM 336 N PHE A 24 -2.851 12.589 7.232 1.00 0.00 N ATOM 337 CA PHE A 24 -4.227 12.960 6.926 1.00 0.00 C ATOM 338 C PHE A 24 -5.020 13.212 8.205 1.00 0.00 C ATOM 339 O PHE A 24 -6.175 12.806 8.323 1.00 0.00 O ATOM 340 CB PHE A 24 -4.903 11.863 6.101 1.00 0.00 C ATOM 341 CG PHE A 24 -4.314 11.694 4.730 1.00 0.00 C ATOM 342 CD1 PHE A 24 -4.605 12.597 3.720 1.00 0.00 C ATOM 343 CD2 PHE A 24 -3.468 10.633 4.451 1.00 0.00 C ATOM 344 CE1 PHE A 24 -4.064 12.444 2.458 1.00 0.00 C ATOM 345 CE2 PHE A 24 -2.923 10.475 3.190 1.00 0.00 C ATOM 346 CZ PHE A 24 -3.221 11.382 2.193 1.00 0.00 C ATOM 0 H PHE A 24 -2.691 11.584 7.304 1.00 0.00 H new ATOM 0 HA PHE A 24 -4.207 13.882 6.344 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.829 10.918 6.638 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.964 12.093 6.006 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.262 13.430 3.922 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.231 9.921 5.228 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.300 13.154 1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.265 9.643 2.985 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.796 11.262 1.208 1.00 0.00 H new ATOM 356 N GLY A 25 -4.388 13.884 9.163 1.00 0.00 N ATOM 357 CA GLY A 25 -5.048 14.177 10.422 1.00 0.00 C ATOM 358 C GLY A 25 -6.181 15.172 10.265 1.00 0.00 C ATOM 359 O GLY A 25 -7.306 14.915 10.692 1.00 0.00 O ATOM 0 H GLY A 25 -3.431 14.230 9.090 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.437 13.252 10.848 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.318 14.571 11.128 1.00 0.00 H new ATOM 363 N SER A 26 -5.883 16.313 9.651 1.00 0.00 N ATOM 364 CA SER A 26 -6.884 17.353 9.444 1.00 0.00 C ATOM 365 C SER A 26 -7.695 17.082 8.180 1.00 0.00 C ATOM 366 O SER A 26 -8.527 17.895 7.777 1.00 0.00 O ATOM 367 CB SER A 26 -6.212 18.725 9.348 1.00 0.00 C ATOM 368 OG SER A 26 -5.906 19.233 10.634 1.00 0.00 O ATOM 0 H SER A 26 -4.957 16.540 9.289 1.00 0.00 H new ATOM 0 HA SER A 26 -7.561 17.347 10.298 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.299 18.646 8.758 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.870 19.420 8.826 1.00 0.00 H new ATOM 0 HG SER A 26 -5.476 20.109 10.546 1.00 0.00 H new ATOM 374 N ASP A 27 -7.447 15.934 7.560 1.00 0.00 N ATOM 375 CA ASP A 27 -8.154 15.553 6.343 1.00 0.00 C ATOM 376 C ASP A 27 -8.796 14.178 6.495 1.00 0.00 C ATOM 377 O ASP A 27 -8.237 13.157 6.096 1.00 0.00 O ATOM 378 CB ASP A 27 -7.196 15.553 5.151 1.00 0.00 C ATOM 379 CG ASP A 27 -7.095 16.914 4.489 1.00 0.00 C ATOM 380 OD1 ASP A 27 -6.997 17.922 5.219 1.00 0.00 O ATOM 381 OD2 ASP A 27 -7.113 16.969 3.242 1.00 0.00 O ATOM 0 H ASP A 27 -6.761 15.250 7.880 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.943 16.284 6.166 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.206 15.240 5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.533 14.820 4.418 1.00 0.00 H new ATOM 386 N PRO A 28 -10.000 14.149 7.088 1.00 0.00 N ATOM 387 CA PRO A 28 -10.744 12.906 7.307 1.00 0.00 C ATOM 388 C PRO A 28 -11.262 12.303 6.005 1.00 0.00 C ATOM 389 O PRO A 28 -11.435 11.089 5.898 1.00 0.00 O ATOM 390 CB PRO A 28 -11.912 13.343 8.195 1.00 0.00 C ATOM 391 CG PRO A 28 -12.097 14.790 7.891 1.00 0.00 C ATOM 392 CD PRO A 28 -10.726 15.328 7.588 1.00 0.00 C ATOM 0 HA PRO A 28 -10.120 12.131 7.751 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.814 12.773 7.972 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.688 13.185 9.250 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.767 14.928 7.042 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.543 15.313 8.737 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.762 16.123 6.844 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.252 15.745 8.477 1.00 0.00 H new ATOM 400 N ALA A 29 -11.506 13.158 5.018 1.00 0.00 N ATOM 401 CA ALA A 29 -12.001 12.709 3.723 1.00 0.00 C ATOM 402 C ALA A 29 -11.146 11.573 3.172 1.00 0.00 C ATOM 403 O ALA A 29 -11.656 10.504 2.834 1.00 0.00 O ATOM 404 CB ALA A 29 -12.037 13.870 2.740 1.00 0.00 C ATOM 0 H ALA A 29 -11.369 14.166 5.091 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.014 12.332 3.860 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.409 13.520 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.696 14.650 3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.032 14.273 2.616 1.00 0.00 H new ATOM 410 N THR A 30 -9.841 11.810 3.084 1.00 0.00 N ATOM 411 CA THR A 30 -8.915 10.808 2.573 1.00 0.00 C ATOM 412 C THR A 30 -8.860 9.591 3.489 1.00 0.00 C ATOM 413 O THR A 30 -8.841 8.451 3.024 1.00 0.00 O ATOM 414 CB THR A 30 -7.494 11.383 2.416 1.00 0.00 C ATOM 415 OG1 THR A 30 -7.530 12.564 1.608 1.00 0.00 O ATOM 416 CG2 THR A 30 -6.562 10.359 1.786 1.00 0.00 C ATOM 0 H THR A 30 -9.402 12.688 3.360 1.00 0.00 H new ATOM 0 HA THR A 30 -9.287 10.506 1.594 1.00 0.00 H new ATOM 0 HB THR A 30 -7.116 11.633 3.407 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.630 12.948 1.550 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.565 10.788 1.685 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.514 9.473 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.939 10.081 0.802 1.00 0.00 H new ATOM 424 N TYR A 31 -8.836 9.840 4.794 1.00 0.00 N ATOM 425 CA TYR A 31 -8.782 8.764 5.776 1.00 0.00 C ATOM 426 C TYR A 31 -9.962 7.812 5.608 1.00 0.00 C ATOM 427 O TYR A 31 -9.831 6.603 5.794 1.00 0.00 O ATOM 428 CB TYR A 31 -8.774 9.339 7.194 1.00 0.00 C ATOM 429 CG TYR A 31 -8.108 8.438 8.209 1.00 0.00 C ATOM 430 CD1 TYR A 31 -6.831 7.937 7.990 1.00 0.00 C ATOM 431 CD2 TYR A 31 -8.756 8.090 9.388 1.00 0.00 C ATOM 432 CE1 TYR A 31 -6.219 7.113 8.915 1.00 0.00 C ATOM 433 CE2 TYR A 31 -8.151 7.268 10.319 1.00 0.00 C ATOM 434 CZ TYR A 31 -6.883 6.781 10.078 1.00 0.00 C ATOM 435 OH TYR A 31 -6.276 5.962 11.002 1.00 0.00 O ATOM 0 H TYR A 31 -8.853 10.777 5.196 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.861 8.204 5.613 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.262 10.301 7.184 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.801 9.527 7.506 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.308 8.196 7.081 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.749 8.468 9.580 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.226 6.731 8.729 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.668 7.008 11.231 1.00 0.00 H new ATOM 0 HH TYR A 31 -6.877 5.827 11.764 1.00 0.00 H new ATOM 445 N ASN A 32 -11.116 8.368 5.253 1.00 0.00 N ATOM 446 CA ASN A 32 -12.321 7.570 5.058 1.00 0.00 C ATOM 447 C ASN A 32 -12.156 6.614 3.881 1.00 0.00 C ATOM 448 O ASN A 32 -12.355 5.407 4.015 1.00 0.00 O ATOM 449 CB ASN A 32 -13.528 8.481 4.825 1.00 0.00 C ATOM 450 CG ASN A 32 -13.815 9.377 6.014 1.00 0.00 C ATOM 451 OD1 ASN A 32 -13.459 9.056 7.148 1.00 0.00 O ATOM 452 ND2 ASN A 32 -14.462 10.509 5.759 1.00 0.00 N ATOM 0 H ASN A 32 -11.242 9.368 5.095 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.487 6.981 5.960 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -13.350 9.097 3.944 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.406 7.870 4.614 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.683 11.153 6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.738 10.735 4.803 1.00 0.00 H new ATOM 459 N GLY A 33 -11.791 7.163 2.726 1.00 0.00 N ATOM 460 CA GLY A 33 -11.605 6.344 1.542 1.00 0.00 C ATOM 461 C GLY A 33 -10.695 5.158 1.794 1.00 0.00 C ATOM 462 O GLY A 33 -10.872 4.094 1.201 1.00 0.00 O ATOM 0 H GLY A 33 -11.621 8.159 2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.575 5.987 1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.186 6.956 0.743 1.00 0.00 H new ATOM 466 N PHE A 34 -9.717 5.341 2.676 1.00 0.00 N ATOM 467 CA PHE A 34 -8.774 4.278 3.003 1.00 0.00 C ATOM 468 C PHE A 34 -9.461 3.165 3.789 1.00 0.00 C ATOM 469 O PHE A 34 -8.996 2.024 3.807 1.00 0.00 O ATOM 470 CB PHE A 34 -7.601 4.838 3.809 1.00 0.00 C ATOM 471 CG PHE A 34 -6.556 3.811 4.140 1.00 0.00 C ATOM 472 CD1 PHE A 34 -5.820 3.204 3.135 1.00 0.00 C ATOM 473 CD2 PHE A 34 -6.310 3.453 5.456 1.00 0.00 C ATOM 474 CE1 PHE A 34 -4.859 2.258 3.437 1.00 0.00 C ATOM 475 CE2 PHE A 34 -5.349 2.508 5.764 1.00 0.00 C ATOM 476 CZ PHE A 34 -4.622 1.911 4.753 1.00 0.00 C ATOM 0 H PHE A 34 -9.557 6.215 3.177 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.397 3.860 2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.137 5.648 3.246 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.980 5.270 4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.999 3.473 2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.876 3.918 6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.294 1.790 2.645 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.167 2.237 6.794 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.869 1.174 4.991 1.00 0.00 H new ATOM 486 N LEU A 35 -10.569 3.504 4.438 1.00 0.00 N ATOM 487 CA LEU A 35 -11.321 2.534 5.226 1.00 0.00 C ATOM 488 C LEU A 35 -12.408 1.873 4.385 1.00 0.00 C ATOM 489 O LEU A 35 -12.748 0.709 4.597 1.00 0.00 O ATOM 490 CB LEU A 35 -11.948 3.215 6.445 1.00 0.00 C ATOM 491 CG LEU A 35 -10.987 3.582 7.576 1.00 0.00 C ATOM 492 CD1 LEU A 35 -11.658 4.527 8.561 1.00 0.00 C ATOM 493 CD2 LEU A 35 -10.495 2.329 8.287 1.00 0.00 C ATOM 0 H LEU A 35 -10.967 4.443 4.434 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.629 1.762 5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.449 4.124 6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.718 2.557 6.848 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.126 4.092 7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.959 4.777 9.359 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.959 5.438 8.044 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.537 4.044 8.987 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.812 2.610 9.089 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.345 1.791 8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.975 1.688 7.576 1.00 0.00 H new ATOM 505 N GLU A 36 -12.947 2.623 3.428 1.00 0.00 N ATOM 506 CA GLU A 36 -13.994 2.107 2.554 1.00 0.00 C ATOM 507 C GLU A 36 -13.432 1.072 1.583 1.00 0.00 C ATOM 508 O GLU A 36 -14.167 0.238 1.055 1.00 0.00 O ATOM 509 CB GLU A 36 -14.647 3.251 1.775 1.00 0.00 C ATOM 510 CG GLU A 36 -13.979 3.539 0.441 1.00 0.00 C ATOM 511 CD GLU A 36 -14.741 4.556 -0.385 1.00 0.00 C ATOM 512 OE1 GLU A 36 -14.581 5.768 -0.128 1.00 0.00 O ATOM 513 OE2 GLU A 36 -15.497 4.141 -1.289 1.00 0.00 O ATOM 0 H GLU A 36 -12.676 3.588 3.239 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.747 1.624 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.696 3.009 1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -14.625 4.154 2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.967 3.904 0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.889 2.611 -0.124 1.00 0.00 H new ATOM 520 N ILE A 37 -12.125 1.134 1.354 1.00 0.00 N ATOM 521 CA ILE A 37 -11.464 0.203 0.448 1.00 0.00 C ATOM 522 C ILE A 37 -11.198 -1.134 1.132 1.00 0.00 C ATOM 523 O ILE A 37 -11.519 -2.193 0.593 1.00 0.00 O ATOM 524 CB ILE A 37 -10.132 0.774 -0.074 1.00 0.00 C ATOM 525 CG1 ILE A 37 -10.393 1.895 -1.082 1.00 0.00 C ATOM 526 CG2 ILE A 37 -9.294 -0.328 -0.704 1.00 0.00 C ATOM 527 CD1 ILE A 37 -9.257 2.889 -1.187 1.00 0.00 C ATOM 0 H ILE A 37 -11.503 1.819 1.783 1.00 0.00 H new ATOM 0 HA ILE A 37 -12.139 0.050 -0.394 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.577 1.189 0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.573 1.456 -2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.303 2.424 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.356 0.091 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.084 -1.096 0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -9.841 -0.770 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.511 3.655 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.091 3.356 -0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.350 2.373 -1.501 1.00 0.00 H new ATOM 539 N MET A 38 -10.611 -1.077 2.322 1.00 0.00 N ATOM 540 CA MET A 38 -10.305 -2.283 3.082 1.00 0.00 C ATOM 541 C MET A 38 -11.578 -3.058 3.408 1.00 0.00 C ATOM 542 O MET A 38 -11.582 -4.289 3.417 1.00 0.00 O ATOM 543 CB MET A 38 -9.567 -1.925 4.373 1.00 0.00 C ATOM 544 CG MET A 38 -8.272 -1.163 4.142 1.00 0.00 C ATOM 545 SD MET A 38 -7.320 -1.815 2.756 1.00 0.00 S ATOM 546 CE MET A 38 -7.189 -3.541 3.218 1.00 0.00 C ATOM 0 H MET A 38 -10.337 -0.208 2.781 1.00 0.00 H new ATOM 0 HA MET A 38 -9.663 -2.915 2.469 1.00 0.00 H new ATOM 0 HB2 MET A 38 -10.224 -1.326 5.003 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.347 -2.841 4.922 1.00 0.00 H new ATOM 0 HG2 MET A 38 -8.501 -0.113 3.959 1.00 0.00 H new ATOM 0 HG3 MET A 38 -7.665 -1.204 5.046 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.202 -3.916 2.949 1.00 0.00 H new ATOM 0 HE2 MET A 38 -7.335 -3.642 4.294 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.951 -4.117 2.693 1.00 0.00 H new ATOM 556 N LYS A 39 -12.656 -2.330 3.675 1.00 0.00 N ATOM 557 CA LYS A 39 -13.936 -2.948 4.001 1.00 0.00 C ATOM 558 C LYS A 39 -14.364 -3.921 2.907 1.00 0.00 C ATOM 559 O LYS A 39 -15.050 -4.907 3.175 1.00 0.00 O ATOM 560 CB LYS A 39 -15.010 -1.875 4.192 1.00 0.00 C ATOM 561 CG LYS A 39 -15.112 -1.364 5.619 1.00 0.00 C ATOM 562 CD LYS A 39 -15.894 -0.063 5.691 1.00 0.00 C ATOM 563 CE LYS A 39 -17.386 -0.298 5.509 1.00 0.00 C ATOM 564 NZ LYS A 39 -18.066 -0.576 6.804 1.00 0.00 N ATOM 0 H LYS A 39 -12.669 -1.310 3.672 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.817 -3.503 4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.796 -1.037 3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.975 -2.281 3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.597 -2.116 6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.112 -1.211 6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.715 0.417 6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.536 0.621 4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.837 0.578 5.043 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.541 -1.136 4.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.081 -0.730 6.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.653 -1.426 7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.940 0.234 7.443 1.00 0.00 H new ATOM 578 N GLU A 40 -13.954 -3.638 1.675 1.00 0.00 N ATOM 579 CA GLU A 40 -14.295 -4.489 0.542 1.00 0.00 C ATOM 580 C GLU A 40 -13.576 -5.832 0.634 1.00 0.00 C ATOM 581 O GLU A 40 -14.198 -6.890 0.538 1.00 0.00 O ATOM 582 CB GLU A 40 -13.936 -3.795 -0.773 1.00 0.00 C ATOM 583 CG GLU A 40 -14.860 -2.641 -1.125 1.00 0.00 C ATOM 584 CD GLU A 40 -16.051 -3.080 -1.955 1.00 0.00 C ATOM 585 OE1 GLU A 40 -15.879 -3.969 -2.815 1.00 0.00 O ATOM 586 OE2 GLU A 40 -17.155 -2.535 -1.745 1.00 0.00 O ATOM 0 H GLU A 40 -13.385 -2.826 1.436 1.00 0.00 H new ATOM 0 HA GLU A 40 -15.370 -4.669 0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.913 -3.424 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.961 -4.528 -1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.215 -2.171 -0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.298 -1.885 -1.674 1.00 0.00 H new ATOM 593 N PHE A 41 -12.261 -5.780 0.820 1.00 0.00 N ATOM 594 CA PHE A 41 -11.456 -6.992 0.923 1.00 0.00 C ATOM 595 C PHE A 41 -11.984 -7.903 2.027 1.00 0.00 C ATOM 596 O PHE A 41 -11.844 -9.124 1.960 1.00 0.00 O ATOM 597 CB PHE A 41 -9.993 -6.635 1.197 1.00 0.00 C ATOM 598 CG PHE A 41 -9.084 -7.829 1.243 1.00 0.00 C ATOM 599 CD1 PHE A 41 -9.180 -8.751 2.274 1.00 0.00 C ATOM 600 CD2 PHE A 41 -8.132 -8.031 0.256 1.00 0.00 C ATOM 601 CE1 PHE A 41 -8.344 -9.850 2.319 1.00 0.00 C ATOM 602 CE2 PHE A 41 -7.293 -9.129 0.296 1.00 0.00 C ATOM 603 CZ PHE A 41 -7.400 -10.040 1.328 1.00 0.00 C ATOM 0 H PHE A 41 -11.731 -4.913 0.902 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.522 -7.525 -0.026 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.643 -5.951 0.423 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.929 -6.102 2.146 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -9.917 -8.608 3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.045 -7.322 -0.554 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.428 -10.560 3.128 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.555 -9.274 -0.479 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.747 -10.900 1.361 1.00 0.00 H new ATOM 613 N LYS A 42 -12.591 -7.300 3.044 1.00 0.00 N ATOM 614 CA LYS A 42 -13.142 -8.055 4.163 1.00 0.00 C ATOM 615 C LYS A 42 -14.363 -8.860 3.729 1.00 0.00 C ATOM 616 O LYS A 42 -14.576 -9.981 4.191 1.00 0.00 O ATOM 617 CB LYS A 42 -13.520 -7.110 5.306 1.00 0.00 C ATOM 618 CG LYS A 42 -13.615 -7.797 6.657 1.00 0.00 C ATOM 619 CD LYS A 42 -14.442 -6.984 7.639 1.00 0.00 C ATOM 620 CE LYS A 42 -15.932 -7.185 7.412 1.00 0.00 C ATOM 621 NZ LYS A 42 -16.384 -8.534 7.853 1.00 0.00 N ATOM 0 H LYS A 42 -12.714 -6.290 3.116 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.377 -8.749 4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.781 -6.311 5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.478 -6.642 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.061 -8.784 6.534 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.614 -7.948 7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.186 -7.273 8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.196 -5.927 7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.488 -6.420 7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.159 -7.054 6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.420 -8.542 7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.089 -9.245 7.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.959 -8.758 8.775 1.00 0.00 H new ATOM 635 N SER A 43 -15.161 -8.281 2.837 1.00 0.00 N ATOM 636 CA SER A 43 -16.362 -8.943 2.342 1.00 0.00 C ATOM 637 C SER A 43 -16.045 -9.803 1.123 1.00 0.00 C ATOM 638 O SER A 43 -16.908 -10.045 0.280 1.00 0.00 O ATOM 639 CB SER A 43 -17.431 -7.908 1.987 1.00 0.00 C ATOM 640 OG SER A 43 -18.158 -7.511 3.136 1.00 0.00 O ATOM 0 H SER A 43 -14.997 -7.355 2.443 1.00 0.00 H new ATOM 0 HA SER A 43 -16.742 -9.590 3.132 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.961 -7.037 1.531 1.00 0.00 H new ATOM 0 HB3 SER A 43 -18.114 -8.325 1.247 1.00 0.00 H new ATOM 0 HG SER A 43 -18.834 -6.848 2.883 1.00 0.00 H new ATOM 646 N GLN A 44 -14.800 -10.260 1.036 1.00 0.00 N ATOM 647 CA GLN A 44 -14.368 -11.092 -0.080 1.00 0.00 C ATOM 648 C GLN A 44 -14.735 -10.448 -1.413 1.00 0.00 C ATOM 649 O GLN A 44 -15.009 -11.141 -2.393 1.00 0.00 O ATOM 650 CB GLN A 44 -14.998 -12.483 0.019 1.00 0.00 C ATOM 651 CG GLN A 44 -14.688 -13.200 1.323 1.00 0.00 C ATOM 652 CD GLN A 44 -14.771 -14.708 1.194 1.00 0.00 C ATOM 653 OE1 GLN A 44 -14.244 -15.291 0.245 1.00 0.00 O ATOM 654 NE2 GLN A 44 -15.434 -15.349 2.149 1.00 0.00 N ATOM 0 H GLN A 44 -14.073 -10.068 1.725 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.283 -11.188 -0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -16.079 -12.392 -0.088 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.646 -13.092 -0.814 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.688 -12.922 1.657 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -15.385 -12.866 2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -15.855 -14.826 2.917 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -15.522 -16.365 2.115 1.00 0.00 H new ATOM 663 N SER A 45 -14.739 -9.120 -1.442 1.00 0.00 N ATOM 664 CA SER A 45 -15.077 -8.382 -2.653 1.00 0.00 C ATOM 665 C SER A 45 -13.856 -8.231 -3.556 1.00 0.00 C ATOM 666 O SER A 45 -13.910 -8.538 -4.747 1.00 0.00 O ATOM 667 CB SER A 45 -15.635 -7.003 -2.297 1.00 0.00 C ATOM 668 OG SER A 45 -16.983 -7.093 -1.871 1.00 0.00 O ATOM 0 H SER A 45 -14.512 -8.532 -0.640 1.00 0.00 H new ATOM 0 HA SER A 45 -15.838 -8.946 -3.191 1.00 0.00 H new ATOM 0 HB2 SER A 45 -15.030 -6.555 -1.508 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.567 -6.345 -3.163 1.00 0.00 H new ATOM 0 HG SER A 45 -17.316 -6.199 -1.648 1.00 0.00 H new ATOM 674 N ILE A 46 -12.757 -7.757 -2.979 1.00 0.00 N ATOM 675 CA ILE A 46 -11.522 -7.567 -3.731 1.00 0.00 C ATOM 676 C ILE A 46 -10.445 -8.545 -3.274 1.00 0.00 C ATOM 677 O ILE A 46 -10.612 -9.248 -2.278 1.00 0.00 O ATOM 678 CB ILE A 46 -10.990 -6.129 -3.584 1.00 0.00 C ATOM 679 CG1 ILE A 46 -10.590 -5.855 -2.133 1.00 0.00 C ATOM 680 CG2 ILE A 46 -12.037 -5.127 -4.049 1.00 0.00 C ATOM 681 CD1 ILE A 46 -10.059 -4.457 -1.906 1.00 0.00 C ATOM 0 H ILE A 46 -12.696 -7.498 -1.994 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.758 -7.753 -4.779 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.106 -6.019 -4.211 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.455 -6.015 -1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.831 -6.577 -1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.647 -4.115 -3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.277 -5.311 -5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.938 -5.236 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.795 -4.334 -0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.174 -4.299 -2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.824 -3.729 -2.176 1.00 0.00 H new ATOM 693 N ASP A 47 -9.338 -8.582 -4.009 1.00 0.00 N ATOM 694 CA ASP A 47 -8.231 -9.471 -3.678 1.00 0.00 C ATOM 695 C ASP A 47 -6.983 -8.673 -3.314 1.00 0.00 C ATOM 696 O ASP A 47 -7.019 -7.444 -3.235 1.00 0.00 O ATOM 697 CB ASP A 47 -7.930 -10.405 -4.852 1.00 0.00 C ATOM 698 CG ASP A 47 -9.112 -11.284 -5.210 1.00 0.00 C ATOM 699 OD1 ASP A 47 -10.231 -10.746 -5.348 1.00 0.00 O ATOM 700 OD2 ASP A 47 -8.919 -12.509 -5.352 1.00 0.00 O ATOM 0 H ASP A 47 -9.184 -8.007 -4.837 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.523 -10.068 -2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.646 -9.812 -5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.076 -11.034 -4.602 1.00 0.00 H new ATOM 705 N THR A 48 -5.878 -9.379 -3.093 1.00 0.00 N ATOM 706 CA THR A 48 -4.620 -8.737 -2.735 1.00 0.00 C ATOM 707 C THR A 48 -4.297 -7.591 -3.687 1.00 0.00 C ATOM 708 O THR A 48 -4.135 -6.441 -3.280 1.00 0.00 O ATOM 709 CB THR A 48 -3.453 -9.743 -2.747 1.00 0.00 C ATOM 710 OG1 THR A 48 -3.300 -10.331 -1.450 1.00 0.00 O ATOM 711 CG2 THR A 48 -2.156 -9.062 -3.157 1.00 0.00 C ATOM 0 H THR A 48 -5.830 -10.396 -3.156 1.00 0.00 H new ATOM 0 HA THR A 48 -4.742 -8.344 -1.726 1.00 0.00 H new ATOM 0 HB THR A 48 -3.681 -10.522 -3.474 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.558 -10.970 -1.466 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.346 -9.792 -3.158 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.266 -8.641 -4.156 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.925 -8.265 -2.451 1.00 0.00 H new ATOM 719 N PRO A 49 -4.202 -7.909 -4.987 1.00 0.00 N ATOM 720 CA PRO A 49 -3.899 -6.919 -6.024 1.00 0.00 C ATOM 721 C PRO A 49 -5.049 -5.943 -6.247 1.00 0.00 C ATOM 722 O PRO A 49 -4.873 -4.892 -6.863 1.00 0.00 O ATOM 723 CB PRO A 49 -3.672 -7.773 -7.274 1.00 0.00 C ATOM 724 CG PRO A 49 -4.448 -9.021 -7.027 1.00 0.00 C ATOM 725 CD PRO A 49 -4.383 -9.261 -5.544 1.00 0.00 C ATOM 0 HA PRO A 49 -3.046 -6.296 -5.756 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.020 -7.262 -8.171 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.613 -7.988 -7.420 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.480 -8.911 -7.360 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.023 -9.860 -7.577 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.294 -9.730 -5.173 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.555 -9.919 -5.279 1.00 0.00 H new ATOM 733 N GLY A 50 -6.226 -6.297 -5.741 1.00 0.00 N ATOM 734 CA GLY A 50 -7.388 -5.440 -5.896 1.00 0.00 C ATOM 735 C GLY A 50 -7.382 -4.275 -4.926 1.00 0.00 C ATOM 736 O GLY A 50 -7.766 -3.161 -5.281 1.00 0.00 O ATOM 0 H GLY A 50 -6.396 -7.161 -5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.421 -5.059 -6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.293 -6.029 -5.746 1.00 0.00 H new ATOM 740 N VAL A 51 -6.946 -4.533 -3.697 1.00 0.00 N ATOM 741 CA VAL A 51 -6.892 -3.497 -2.672 1.00 0.00 C ATOM 742 C VAL A 51 -5.782 -2.493 -2.963 1.00 0.00 C ATOM 743 O VAL A 51 -5.870 -1.326 -2.579 1.00 0.00 O ATOM 744 CB VAL A 51 -6.669 -4.101 -1.274 1.00 0.00 C ATOM 745 CG1 VAL A 51 -5.357 -4.871 -1.228 1.00 0.00 C ATOM 746 CG2 VAL A 51 -6.694 -3.012 -0.212 1.00 0.00 C ATOM 0 H VAL A 51 -6.625 -5.450 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.854 -2.985 -2.689 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.480 -4.798 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.216 -5.291 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.382 -5.677 -1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.531 -4.197 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.535 -3.458 0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.905 -2.288 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.661 -2.509 -0.230 1.00 0.00 H new ATOM 756 N ILE A 52 -4.739 -2.954 -3.645 1.00 0.00 N ATOM 757 CA ILE A 52 -3.612 -2.096 -3.989 1.00 0.00 C ATOM 758 C ILE A 52 -4.020 -1.032 -5.002 1.00 0.00 C ATOM 759 O ILE A 52 -3.687 0.143 -4.852 1.00 0.00 O ATOM 760 CB ILE A 52 -2.438 -2.911 -4.562 1.00 0.00 C ATOM 761 CG1 ILE A 52 -1.948 -3.933 -3.534 1.00 0.00 C ATOM 762 CG2 ILE A 52 -1.305 -1.986 -4.980 1.00 0.00 C ATOM 763 CD1 ILE A 52 -1.099 -5.033 -4.132 1.00 0.00 C ATOM 0 H ILE A 52 -4.651 -3.917 -3.970 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.291 -1.612 -3.067 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.785 -3.449 -5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.371 -3.416 -2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.810 -4.379 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.483 -2.577 -5.383 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.663 -1.294 -5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.957 -1.423 -4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.787 -5.720 -3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.679 -5.575 -4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.218 -4.597 -4.603 1.00 0.00 H new ATOM 775 N ARG A 53 -4.745 -1.453 -6.033 1.00 0.00 N ATOM 776 CA ARG A 53 -5.200 -0.536 -7.072 1.00 0.00 C ATOM 777 C ARG A 53 -5.903 0.672 -6.460 1.00 0.00 C ATOM 778 O ARG A 53 -5.611 1.816 -6.810 1.00 0.00 O ATOM 779 CB ARG A 53 -6.145 -1.254 -8.038 1.00 0.00 C ATOM 780 CG ARG A 53 -6.779 -0.333 -9.067 1.00 0.00 C ATOM 781 CD ARG A 53 -7.446 -1.121 -10.184 1.00 0.00 C ATOM 782 NE ARG A 53 -7.492 -0.367 -11.433 1.00 0.00 N ATOM 783 CZ ARG A 53 -7.849 -0.896 -12.598 1.00 0.00 C ATOM 784 NH1 ARG A 53 -8.189 -2.176 -12.672 1.00 0.00 N ATOM 785 NH2 ARG A 53 -7.866 -0.146 -13.692 1.00 0.00 N ATOM 0 H ARG A 53 -5.030 -2.423 -6.171 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.326 -0.187 -7.622 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.594 -2.039 -8.556 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.933 -1.743 -7.466 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.516 0.305 -8.580 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.017 0.323 -9.488 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.904 -2.053 -10.343 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.459 -1.388 -9.884 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.236 0.620 -11.410 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.177 -2.756 -11.833 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.463 -2.580 -13.568 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.605 0.839 -13.639 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.140 -0.554 -14.586 1.00 0.00 H new ATOM 799 N ARG A 54 -6.832 0.410 -5.546 1.00 0.00 N ATOM 800 CA ARG A 54 -7.577 1.476 -4.887 1.00 0.00 C ATOM 801 C ARG A 54 -6.641 2.392 -4.104 1.00 0.00 C ATOM 802 O ARG A 54 -6.450 3.555 -4.461 1.00 0.00 O ATOM 803 CB ARG A 54 -8.631 0.885 -3.949 1.00 0.00 C ATOM 804 CG ARG A 54 -9.562 -0.108 -4.627 1.00 0.00 C ATOM 805 CD ARG A 54 -10.710 0.597 -5.332 1.00 0.00 C ATOM 806 NE ARG A 54 -11.198 -0.165 -6.478 1.00 0.00 N ATOM 807 CZ ARG A 54 -12.337 0.102 -7.107 1.00 0.00 C ATOM 808 NH1 ARG A 54 -13.102 1.107 -6.703 1.00 0.00 N ATOM 809 NH2 ARG A 54 -12.714 -0.637 -8.143 1.00 0.00 N ATOM 0 H ARG A 54 -7.086 -0.531 -5.245 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.074 2.066 -5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.129 0.390 -3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.224 1.696 -3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.000 -0.701 -5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.960 -0.801 -3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.526 0.755 -4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.381 1.582 -5.665 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.633 -0.945 -6.814 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.816 1.677 -5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.976 1.310 -7.188 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.129 -1.411 -8.457 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.589 -0.431 -8.625 1.00 0.00 H new ATOM 823 N VAL A 55 -6.058 1.859 -3.035 1.00 0.00 N ATOM 824 CA VAL A 55 -5.141 2.628 -2.202 1.00 0.00 C ATOM 825 C VAL A 55 -4.206 3.479 -3.054 1.00 0.00 C ATOM 826 O VAL A 55 -4.078 4.684 -2.838 1.00 0.00 O ATOM 827 CB VAL A 55 -4.298 1.708 -1.298 1.00 0.00 C ATOM 828 CG1 VAL A 55 -3.333 2.526 -0.454 1.00 0.00 C ATOM 829 CG2 VAL A 55 -5.200 0.856 -0.417 1.00 0.00 C ATOM 0 H VAL A 55 -6.204 0.898 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.752 3.279 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.713 1.042 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.747 1.859 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.665 3.088 -1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.895 3.218 0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.588 0.212 0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.813 1.503 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.846 0.241 -1.044 1.00 0.00 H new ATOM 839 N SER A 56 -3.557 2.844 -4.024 1.00 0.00 N ATOM 840 CA SER A 56 -2.631 3.543 -4.908 1.00 0.00 C ATOM 841 C SER A 56 -3.199 4.894 -5.332 1.00 0.00 C ATOM 842 O SER A 56 -2.518 5.916 -5.255 1.00 0.00 O ATOM 843 CB SER A 56 -2.332 2.692 -6.144 1.00 0.00 C ATOM 844 OG SER A 56 -1.238 3.219 -6.874 1.00 0.00 O ATOM 0 H SER A 56 -3.655 1.847 -4.218 1.00 0.00 H new ATOM 0 HA SER A 56 -1.704 3.714 -4.360 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.111 1.669 -5.840 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.214 2.651 -6.783 1.00 0.00 H new ATOM 0 HG SER A 56 -1.066 2.656 -7.658 1.00 0.00 H new ATOM 850 N GLN A 57 -4.451 4.889 -5.778 1.00 0.00 N ATOM 851 CA GLN A 57 -5.111 6.114 -6.215 1.00 0.00 C ATOM 852 C GLN A 57 -5.301 7.076 -5.046 1.00 0.00 C ATOM 853 O GLN A 57 -5.006 8.267 -5.155 1.00 0.00 O ATOM 854 CB GLN A 57 -6.464 5.790 -6.849 1.00 0.00 C ATOM 855 CG GLN A 57 -6.360 4.938 -8.104 1.00 0.00 C ATOM 856 CD GLN A 57 -5.876 5.725 -9.306 1.00 0.00 C ATOM 857 OE1 GLN A 57 -4.718 5.613 -9.710 1.00 0.00 O ATOM 858 NE2 GLN A 57 -6.762 6.527 -9.884 1.00 0.00 N ATOM 0 H GLN A 57 -5.029 4.051 -5.846 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.475 6.595 -6.958 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.083 5.271 -6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.974 6.722 -7.094 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.678 4.108 -7.919 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.335 4.505 -8.327 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.711 6.588 -9.515 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.494 7.082 -10.697 1.00 0.00 H new ATOM 867 N LEU A 58 -5.794 6.552 -3.930 1.00 0.00 N ATOM 868 CA LEU A 58 -6.024 7.365 -2.740 1.00 0.00 C ATOM 869 C LEU A 58 -4.788 8.191 -2.398 1.00 0.00 C ATOM 870 O LEU A 58 -4.859 9.414 -2.281 1.00 0.00 O ATOM 871 CB LEU A 58 -6.401 6.475 -1.555 1.00 0.00 C ATOM 872 CG LEU A 58 -6.722 7.199 -0.247 1.00 0.00 C ATOM 873 CD1 LEU A 58 -7.957 8.071 -0.410 1.00 0.00 C ATOM 874 CD2 LEU A 58 -6.919 6.198 0.882 1.00 0.00 C ATOM 0 H LEU A 58 -6.042 5.568 -3.823 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.848 8.047 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.267 5.876 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.580 5.782 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.879 7.842 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.171 8.579 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.779 8.812 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.808 7.449 -0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.147 6.731 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.744 5.530 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.007 5.615 1.015 1.00 0.00 H new ATOM 886 N PHE A 59 -3.655 7.514 -2.241 1.00 0.00 N ATOM 887 CA PHE A 59 -2.403 8.185 -1.914 1.00 0.00 C ATOM 888 C PHE A 59 -1.612 8.507 -3.178 1.00 0.00 C ATOM 889 O PHE A 59 -0.381 8.451 -3.186 1.00 0.00 O ATOM 890 CB PHE A 59 -1.561 7.313 -0.980 1.00 0.00 C ATOM 891 CG PHE A 59 -2.287 6.895 0.266 1.00 0.00 C ATOM 892 CD1 PHE A 59 -2.892 7.839 1.081 1.00 0.00 C ATOM 893 CD2 PHE A 59 -2.366 5.559 0.623 1.00 0.00 C ATOM 894 CE1 PHE A 59 -3.561 7.457 2.229 1.00 0.00 C ATOM 895 CE2 PHE A 59 -3.033 5.171 1.770 1.00 0.00 C ATOM 896 CZ PHE A 59 -3.632 6.121 2.573 1.00 0.00 C ATOM 0 H PHE A 59 -3.579 6.501 -2.335 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.643 9.120 -1.409 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.239 6.422 -1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.660 7.859 -0.700 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.840 8.885 0.816 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.901 4.811 -0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.028 8.202 2.856 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.085 4.126 2.038 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.155 5.820 3.469 1.00 0.00 H new ATOM 906 N HIS A 60 -2.327 8.843 -4.247 1.00 0.00 N ATOM 907 CA HIS A 60 -1.692 9.174 -5.518 1.00 0.00 C ATOM 908 C HIS A 60 -0.619 10.242 -5.328 1.00 0.00 C ATOM 909 O HIS A 60 0.424 10.209 -5.981 1.00 0.00 O ATOM 910 CB HIS A 60 -2.738 9.659 -6.523 1.00 0.00 C ATOM 911 CG HIS A 60 -3.438 10.914 -6.101 1.00 0.00 C ATOM 912 ND1 HIS A 60 -3.535 12.029 -6.906 1.00 0.00 N ATOM 913 CD2 HIS A 60 -4.079 11.225 -4.950 1.00 0.00 C ATOM 914 CE1 HIS A 60 -4.204 12.973 -6.268 1.00 0.00 C ATOM 915 NE2 HIS A 60 -4.546 12.510 -5.079 1.00 0.00 N ATOM 0 H HIS A 60 -3.346 8.893 -4.259 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.217 8.272 -5.905 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.254 9.829 -7.485 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.478 8.873 -6.673 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.200 10.582 -4.091 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.432 13.956 -6.653 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.072 13.024 -4.372 1.00 0.00 H new ATOM 924 N GLU A 61 -0.883 11.186 -4.430 1.00 0.00 N ATOM 925 CA GLU A 61 0.061 12.264 -4.156 1.00 0.00 C ATOM 926 C GLU A 61 1.232 11.761 -3.318 1.00 0.00 C ATOM 927 O GLU A 61 2.300 12.374 -3.292 1.00 0.00 O ATOM 928 CB GLU A 61 -0.641 13.415 -3.433 1.00 0.00 C ATOM 929 CG GLU A 61 -1.569 14.219 -4.328 1.00 0.00 C ATOM 930 CD GLU A 61 -2.605 15.001 -3.542 1.00 0.00 C ATOM 931 OE1 GLU A 61 -2.248 15.563 -2.486 1.00 0.00 O ATOM 932 OE2 GLU A 61 -3.772 15.049 -3.984 1.00 0.00 O ATOM 0 H GLU A 61 -1.741 11.226 -3.880 1.00 0.00 H new ATOM 0 HA GLU A 61 0.447 12.625 -5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.214 13.013 -2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.112 14.081 -3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.979 14.909 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.075 13.545 -5.019 1.00 0.00 H new ATOM 939 N HIS A 62 1.024 10.641 -2.632 1.00 0.00 N ATOM 940 CA HIS A 62 2.062 10.055 -1.792 1.00 0.00 C ATOM 941 C HIS A 62 2.515 8.708 -2.347 1.00 0.00 C ATOM 942 O HIS A 62 2.041 7.649 -1.936 1.00 0.00 O ATOM 943 CB HIS A 62 1.553 9.884 -0.360 1.00 0.00 C ATOM 944 CG HIS A 62 0.779 11.063 0.145 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.257 11.917 1.116 1.00 0.00 N ATOM 946 CD2 HIS A 62 -0.446 11.528 -0.193 1.00 0.00 C ATOM 947 CE1 HIS A 62 0.359 12.856 1.355 1.00 0.00 C ATOM 948 NE2 HIS A 62 -0.684 12.643 0.573 1.00 0.00 N ATOM 0 H HIS A 62 0.146 10.122 -2.642 1.00 0.00 H new ATOM 0 HA HIS A 62 2.916 10.732 -1.788 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.921 8.997 -0.311 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.402 9.707 0.300 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.112 11.102 -0.928 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.460 13.661 2.068 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.529 13.214 0.543 1.00 0.00 H new ATOM 957 N PRO A 63 3.454 8.748 -3.304 1.00 0.00 N ATOM 958 CA PRO A 63 3.991 7.539 -3.937 1.00 0.00 C ATOM 959 C PRO A 63 4.857 6.723 -2.985 1.00 0.00 C ATOM 960 O PRO A 63 5.185 5.569 -3.263 1.00 0.00 O ATOM 961 CB PRO A 63 4.835 8.088 -5.090 1.00 0.00 C ATOM 962 CG PRO A 63 5.217 9.462 -4.660 1.00 0.00 C ATOM 963 CD PRO A 63 4.064 9.975 -3.843 1.00 0.00 C ATOM 0 HA PRO A 63 3.200 6.859 -4.255 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.715 7.469 -5.266 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.268 8.108 -6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.135 9.446 -4.073 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.401 10.104 -5.522 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.400 10.640 -3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.359 10.539 -4.453 1.00 0.00 H new ATOM 971 N ASP A 64 5.225 7.328 -1.860 1.00 0.00 N ATOM 972 CA ASP A 64 6.052 6.655 -0.865 1.00 0.00 C ATOM 973 C ASP A 64 5.221 5.679 -0.038 1.00 0.00 C ATOM 974 O ASP A 64 5.702 4.614 0.351 1.00 0.00 O ATOM 975 CB ASP A 64 6.720 7.681 0.052 1.00 0.00 C ATOM 976 CG ASP A 64 7.782 7.061 0.938 1.00 0.00 C ATOM 977 OD1 ASP A 64 8.513 6.173 0.454 1.00 0.00 O ATOM 978 OD2 ASP A 64 7.881 7.464 2.116 1.00 0.00 O ATOM 0 H ASP A 64 4.964 8.283 -1.615 1.00 0.00 H new ATOM 0 HA ASP A 64 6.824 6.092 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.170 8.467 -0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.962 8.155 0.676 1.00 0.00 H new ATOM 983 N LEU A 65 3.974 6.050 0.229 1.00 0.00 N ATOM 984 CA LEU A 65 3.076 5.208 1.012 1.00 0.00 C ATOM 985 C LEU A 65 2.576 4.029 0.184 1.00 0.00 C ATOM 986 O LEU A 65 2.500 2.902 0.674 1.00 0.00 O ATOM 987 CB LEU A 65 1.890 6.029 1.520 1.00 0.00 C ATOM 988 CG LEU A 65 2.071 6.698 2.883 1.00 0.00 C ATOM 989 CD1 LEU A 65 1.262 7.983 2.958 1.00 0.00 C ATOM 990 CD2 LEU A 65 1.671 5.747 4.002 1.00 0.00 C ATOM 0 H LEU A 65 3.561 6.928 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 65 3.633 4.819 1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.668 6.802 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.018 5.377 1.571 1.00 0.00 H new ATOM 0 HG LEU A 65 3.125 6.948 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.403 8.445 3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.596 8.669 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.206 7.757 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.806 6.240 4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.625 5.465 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.295 4.854 3.961 1.00 0.00 H new ATOM 1002 N ILE A 66 2.239 4.296 -1.073 1.00 0.00 N ATOM 1003 CA ILE A 66 1.749 3.255 -1.969 1.00 0.00 C ATOM 1004 C ILE A 66 2.770 2.133 -2.118 1.00 0.00 C ATOM 1005 O ILE A 66 2.447 0.958 -1.943 1.00 0.00 O ATOM 1006 CB ILE A 66 1.420 3.822 -3.363 1.00 0.00 C ATOM 1007 CG1 ILE A 66 0.464 5.010 -3.241 1.00 0.00 C ATOM 1008 CG2 ILE A 66 0.819 2.740 -4.247 1.00 0.00 C ATOM 1009 CD1 ILE A 66 0.201 5.712 -4.556 1.00 0.00 C ATOM 0 H ILE A 66 2.296 5.223 -1.494 1.00 0.00 H new ATOM 0 HA ILE A 66 0.838 2.857 -1.522 1.00 0.00 H new ATOM 0 HB ILE A 66 2.344 4.169 -3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.483 4.663 -2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.877 5.727 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.592 3.156 -5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.531 1.922 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.097 2.365 -3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.485 6.543 -4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.140 6.090 -4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.242 5.009 -5.262 1.00 0.00 H new ATOM 1021 N VAL A 67 4.006 2.503 -2.440 1.00 0.00 N ATOM 1022 CA VAL A 67 5.076 1.527 -2.609 1.00 0.00 C ATOM 1023 C VAL A 67 5.385 0.817 -1.296 1.00 0.00 C ATOM 1024 O VAL A 67 5.430 -0.411 -1.237 1.00 0.00 O ATOM 1025 CB VAL A 67 6.362 2.191 -3.136 1.00 0.00 C ATOM 1026 CG1 VAL A 67 7.465 1.157 -3.307 1.00 0.00 C ATOM 1027 CG2 VAL A 67 6.090 2.914 -4.446 1.00 0.00 C ATOM 0 H VAL A 67 4.291 3.471 -2.589 1.00 0.00 H new ATOM 0 HA VAL A 67 4.727 0.797 -3.339 1.00 0.00 H new ATOM 0 HB VAL A 67 6.696 2.927 -2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.366 1.644 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.677 0.689 -2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.143 0.396 -4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.010 3.377 -4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.731 2.200 -5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.334 3.683 -4.287 1.00 0.00 H new ATOM 1037 N GLY A 68 5.597 1.600 -0.242 1.00 0.00 N ATOM 1038 CA GLY A 68 5.899 1.028 1.058 1.00 0.00 C ATOM 1039 C GLY A 68 4.947 -0.090 1.435 1.00 0.00 C ATOM 1040 O GLY A 68 5.374 -1.149 1.895 1.00 0.00 O ATOM 0 H GLY A 68 5.565 2.619 -0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.920 0.646 1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.853 1.811 1.815 1.00 0.00 H new ATOM 1044 N PHE A 69 3.654 0.146 1.241 1.00 0.00 N ATOM 1045 CA PHE A 69 2.639 -0.849 1.566 1.00 0.00 C ATOM 1046 C PHE A 69 3.133 -2.256 1.245 1.00 0.00 C ATOM 1047 O PHE A 69 3.197 -3.118 2.121 1.00 0.00 O ATOM 1048 CB PHE A 69 1.348 -0.562 0.796 1.00 0.00 C ATOM 1049 CG PHE A 69 0.228 -1.504 1.131 1.00 0.00 C ATOM 1050 CD1 PHE A 69 -0.264 -1.586 2.425 1.00 0.00 C ATOM 1051 CD2 PHE A 69 -0.334 -2.310 0.154 1.00 0.00 C ATOM 1052 CE1 PHE A 69 -1.295 -2.452 2.736 1.00 0.00 C ATOM 1053 CE2 PHE A 69 -1.365 -3.177 0.459 1.00 0.00 C ATOM 1054 CZ PHE A 69 -1.845 -3.250 1.752 1.00 0.00 C ATOM 0 H PHE A 69 3.284 1.017 0.861 1.00 0.00 H new ATOM 0 HA PHE A 69 2.438 -0.789 2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.029 0.459 1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.552 -0.619 -0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 69 0.164 -0.966 3.199 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.039 -2.260 -0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.670 -2.505 3.747 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.796 -3.797 -0.313 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.649 -3.930 1.993 1.00 0.00 H new ATOM 1064 N ASN A 70 3.481 -2.481 -0.018 1.00 0.00 N ATOM 1065 CA ASN A 70 3.969 -3.783 -0.456 1.00 0.00 C ATOM 1066 C ASN A 70 5.067 -4.294 0.473 1.00 0.00 C ATOM 1067 O ASN A 70 4.979 -5.399 1.006 1.00 0.00 O ATOM 1068 CB ASN A 70 4.497 -3.698 -1.889 1.00 0.00 C ATOM 1069 CG ASN A 70 3.392 -3.457 -2.899 1.00 0.00 C ATOM 1070 OD1 ASN A 70 2.600 -4.352 -3.195 1.00 0.00 O ATOM 1071 ND2 ASN A 70 3.333 -2.242 -3.433 1.00 0.00 N ATOM 0 H ASN A 70 3.434 -1.778 -0.756 1.00 0.00 H new ATOM 0 HA ASN A 70 3.135 -4.484 -0.424 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.229 -2.893 -1.956 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.017 -4.623 -2.137 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.610 -2.020 -4.118 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.010 -1.531 -3.158 1.00 0.00 H new ATOM 1078 N ALA A 71 6.101 -3.480 0.661 1.00 0.00 N ATOM 1079 CA ALA A 71 7.214 -3.847 1.527 1.00 0.00 C ATOM 1080 C ALA A 71 6.717 -4.331 2.885 1.00 0.00 C ATOM 1081 O ALA A 71 7.049 -5.434 3.322 1.00 0.00 O ATOM 1082 CB ALA A 71 8.161 -2.668 1.699 1.00 0.00 C ATOM 0 H ALA A 71 6.191 -2.562 0.225 1.00 0.00 H new ATOM 0 HA ALA A 71 7.754 -4.667 1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.987 -2.957 2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.551 -2.370 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.623 -1.832 2.146 1.00 0.00 H new ATOM 1088 N PHE A 72 5.921 -3.500 3.549 1.00 0.00 N ATOM 1089 CA PHE A 72 5.380 -3.843 4.859 1.00 0.00 C ATOM 1090 C PHE A 72 4.715 -5.216 4.830 1.00 0.00 C ATOM 1091 O PHE A 72 5.145 -6.142 5.521 1.00 0.00 O ATOM 1092 CB PHE A 72 4.371 -2.785 5.310 1.00 0.00 C ATOM 1093 CG PHE A 72 4.990 -1.662 6.093 1.00 0.00 C ATOM 1094 CD1 PHE A 72 5.876 -0.785 5.489 1.00 0.00 C ATOM 1095 CD2 PHE A 72 4.685 -1.483 7.433 1.00 0.00 C ATOM 1096 CE1 PHE A 72 6.447 0.248 6.207 1.00 0.00 C ATOM 1097 CE2 PHE A 72 5.253 -0.451 8.156 1.00 0.00 C ATOM 1098 CZ PHE A 72 6.134 0.416 7.541 1.00 0.00 C ATOM 0 H PHE A 72 5.636 -2.584 3.202 1.00 0.00 H new ATOM 0 HA PHE A 72 6.206 -3.874 5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.871 -2.374 4.433 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.604 -3.262 5.919 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.123 -0.910 4.445 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.995 -2.158 7.918 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.138 0.924 5.725 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.008 -0.323 9.200 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.578 1.225 8.103 1.00 0.00 H new ATOM 1108 N LEU A 73 3.665 -5.342 4.027 1.00 0.00 N ATOM 1109 CA LEU A 73 2.939 -6.601 3.907 1.00 0.00 C ATOM 1110 C LEU A 73 3.878 -7.790 4.086 1.00 0.00 C ATOM 1111 O LEU A 73 4.541 -8.235 3.149 1.00 0.00 O ATOM 1112 CB LEU A 73 2.245 -6.685 2.546 1.00 0.00 C ATOM 1113 CG LEU A 73 1.091 -5.707 2.320 1.00 0.00 C ATOM 1114 CD1 LEU A 73 0.590 -5.795 0.887 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -0.040 -5.981 3.300 1.00 0.00 C ATOM 0 H LEU A 73 3.297 -4.587 3.449 1.00 0.00 H new ATOM 0 HA LEU A 73 2.186 -6.634 4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.992 -6.521 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.867 -7.699 2.415 1.00 0.00 H new ATOM 0 HG LEU A 73 1.458 -4.695 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.231 -5.092 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.401 -5.549 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.240 -6.807 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.852 -5.276 3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.406 -6.998 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.327 -5.866 4.320 1.00 0.00 H new ATOM 1127 N PRO A 74 3.935 -8.319 5.317 1.00 0.00 N ATOM 1128 CA PRO A 74 4.788 -9.465 5.647 1.00 0.00 C ATOM 1129 C PRO A 74 4.293 -10.758 5.009 1.00 0.00 C ATOM 1130 O PRO A 74 3.548 -11.520 5.624 1.00 0.00 O ATOM 1131 CB PRO A 74 4.691 -9.551 7.173 1.00 0.00 C ATOM 1132 CG PRO A 74 3.384 -8.920 7.506 1.00 0.00 C ATOM 1133 CD PRO A 74 3.172 -7.839 6.482 1.00 0.00 C ATOM 0 HA PRO A 74 5.805 -9.336 5.277 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.729 -10.585 7.514 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.517 -9.026 7.652 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.577 -9.652 7.473 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.397 -8.505 8.514 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.116 -7.711 6.246 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.539 -6.875 6.833 1.00 0.00 H new ATOM 1141 N SER A 75 4.713 -11.000 3.771 1.00 0.00 N ATOM 1142 CA SER A 75 4.310 -12.200 3.047 1.00 0.00 C ATOM 1143 C SER A 75 5.491 -12.802 2.293 1.00 0.00 C ATOM 1144 O SER A 75 6.583 -12.237 2.275 1.00 0.00 O ATOM 1145 CB SER A 75 3.178 -11.876 2.071 1.00 0.00 C ATOM 1146 OG SER A 75 3.575 -10.884 1.141 1.00 0.00 O ATOM 0 H SER A 75 5.332 -10.381 3.248 1.00 0.00 H new ATOM 0 HA SER A 75 3.955 -12.931 3.774 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.882 -12.780 1.539 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.304 -11.532 2.624 1.00 0.00 H new ATOM 0 HG SER A 75 2.835 -10.696 0.527 1.00 0.00 H new ATOM 1152 N GLY A 76 5.262 -13.955 1.670 1.00 0.00 N ATOM 1153 CA GLY A 76 6.316 -14.616 0.923 1.00 0.00 C ATOM 1154 C GLY A 76 5.834 -15.144 -0.414 1.00 0.00 C ATOM 1155 O GLY A 76 4.713 -14.874 -0.845 1.00 0.00 O ATOM 0 H GLY A 76 4.366 -14.442 1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.136 -13.916 0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.714 -15.441 1.514 1.00 0.00 H new ATOM 1159 N PRO A 77 6.695 -15.916 -1.095 1.00 0.00 N ATOM 1160 CA PRO A 77 6.373 -16.498 -2.401 1.00 0.00 C ATOM 1161 C PRO A 77 5.317 -17.593 -2.304 1.00 0.00 C ATOM 1162 O PRO A 77 4.945 -18.201 -3.307 1.00 0.00 O ATOM 1163 CB PRO A 77 7.709 -17.083 -2.867 1.00 0.00 C ATOM 1164 CG PRO A 77 8.464 -17.351 -1.611 1.00 0.00 C ATOM 1165 CD PRO A 77 8.048 -16.279 -0.641 1.00 0.00 C ATOM 0 HA PRO A 77 5.953 -15.759 -3.084 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.562 -17.997 -3.443 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.245 -16.384 -3.509 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.233 -18.342 -1.220 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.539 -17.321 -1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.043 -16.646 0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.725 -15.425 -0.671 1.00 0.00 H new ATOM 1173 N SER A 78 4.836 -17.839 -1.089 1.00 0.00 N ATOM 1174 CA SER A 78 3.824 -18.864 -0.860 1.00 0.00 C ATOM 1175 C SER A 78 2.632 -18.667 -1.791 1.00 0.00 C ATOM 1176 O SER A 78 2.076 -17.572 -1.882 1.00 0.00 O ATOM 1177 CB SER A 78 3.359 -18.834 0.597 1.00 0.00 C ATOM 1178 OG SER A 78 2.872 -20.102 1.003 1.00 0.00 O ATOM 0 H SER A 78 5.131 -17.342 -0.248 1.00 0.00 H new ATOM 0 HA SER A 78 4.271 -19.836 -1.071 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.187 -18.536 1.240 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.576 -18.085 0.717 1.00 0.00 H new ATOM 0 HG SER A 78 2.583 -20.057 1.938 1.00 0.00 H new ATOM 1184 N SER A 79 2.244 -19.735 -2.480 1.00 0.00 N ATOM 1185 CA SER A 79 1.120 -19.680 -3.408 1.00 0.00 C ATOM 1186 C SER A 79 -0.070 -18.965 -2.777 1.00 0.00 C ATOM 1187 O SER A 79 -0.407 -19.200 -1.617 1.00 0.00 O ATOM 1188 CB SER A 79 0.714 -21.092 -3.833 1.00 0.00 C ATOM 1189 OG SER A 79 0.144 -21.090 -5.131 1.00 0.00 O ATOM 0 H SER A 79 2.691 -20.649 -2.413 1.00 0.00 H new ATOM 0 HA SER A 79 1.434 -19.119 -4.288 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.587 -21.745 -3.817 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.002 -21.498 -3.119 1.00 0.00 H new ATOM 0 HG SER A 79 -0.106 -22.004 -5.380 1.00 0.00 H new ATOM 1195 N GLY A 80 -0.703 -18.088 -3.550 1.00 0.00 N ATOM 1196 CA GLY A 80 -1.849 -17.350 -3.051 1.00 0.00 C ATOM 1197 C GLY A 80 -3.158 -17.849 -3.632 1.00 0.00 C ATOM 1198 O GLY A 80 -4.099 -18.144 -2.895 1.00 0.00 O ATOM 0 H GLY A 80 -0.443 -17.875 -4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.884 -17.430 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.729 -16.293 -3.289 1.00 0.00 H new TER 1202 GLY A 80