USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 592 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 83 GLN : amide:sc= -0.465 K(o=-0.38,f=-7.2!) USER MOD Set 1.2: A 84 THR OG1 : rot 180:sc= 0.0842 USER MOD Set 2.1: A 69 ASN : amide:sc= -0.183 K(o=-0.4,f=-3.7) USER MOD Set 2.2: A 72 ASN : amide:sc= -0.214 K(o=-0.4,f=-2.8!) USER MOD Set 3.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 58 GLN : amide:sc= -3.78! C(o=-3.8!,f=-4.5!) USER MOD Single : A 1 SER N :NH3+ 134:sc= 0.0441 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 11 TYR OH : rot -168:sc= 0.795 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 153:sc= -0.551 USER MOD Single : A 22 GLN :FLIP amide:sc= -1.2! F(o=-1.9,f=-1.2!) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.723 F(o=-5.1!,f=-0.72) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -1.16 F(o=-7.2!,f=-1.2) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0356 X(o=-0.036,f=0) USER MOD Single : A 51 SER OG : rot 88:sc= 0.891 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= -0.944 (180deg=-1.42) USER MOD Single : A 68 THR OG1 : rot -24:sc= 0.244 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0763 K(o=-0.076,f=-1.7!) USER MOD Single : A 81 ASN :FLIP amide:sc= -14.6! C(o=-17!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -33.324 -12.122 -8.825 1.00 0.00 N ATOM 2 CA SER A 1 -33.702 -10.781 -9.340 1.00 0.00 C ATOM 3 C SER A 1 -32.890 -9.687 -8.648 1.00 0.00 C ATOM 4 O SER A 1 -32.504 -9.834 -7.488 1.00 0.00 O ATOM 5 CB SER A 1 -35.198 -10.537 -9.122 1.00 0.00 C ATOM 6 OG SER A 1 -35.977 -11.511 -9.793 1.00 0.00 O ATOM 0 H1 SER A 1 -34.184 -12.672 -8.625 1.00 0.00 H new ATOM 0 H2 SER A 1 -32.753 -12.619 -9.538 1.00 0.00 H new ATOM 0 H3 SER A 1 -32.770 -12.015 -7.951 1.00 0.00 H new ATOM 0 HA SER A 1 -33.485 -10.750 -10.408 1.00 0.00 H new ATOM 0 HB2 SER A 1 -35.422 -10.560 -8.055 1.00 0.00 H new ATOM 0 HB3 SER A 1 -35.464 -9.543 -9.482 1.00 0.00 H new ATOM 0 HG SER A 1 -36.928 -11.334 -9.637 1.00 0.00 H new ATOM 14 N PRO A 2 -32.618 -8.569 -9.352 1.00 0.00 N ATOM 15 CA PRO A 2 -31.844 -7.454 -8.798 1.00 0.00 C ATOM 16 C PRO A 2 -32.656 -6.598 -7.834 1.00 0.00 C ATOM 17 O PRO A 2 -33.050 -5.478 -8.164 1.00 0.00 O ATOM 18 CB PRO A 2 -31.466 -6.646 -10.037 1.00 0.00 C ATOM 19 CG PRO A 2 -32.574 -6.896 -10.999 1.00 0.00 C ATOM 20 CD PRO A 2 -33.039 -8.306 -10.745 1.00 0.00 C ATOM 0 HA PRO A 2 -30.991 -7.801 -8.214 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -31.374 -5.585 -9.806 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -30.507 -6.968 -10.444 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -33.387 -6.185 -10.850 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -32.231 -6.778 -12.027 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -34.119 -8.398 -10.861 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -32.582 -9.010 -11.441 1.00 0.00 H new ATOM 28 N ALA A 3 -32.901 -7.128 -6.638 1.00 0.00 N ATOM 29 CA ALA A 3 -33.649 -6.397 -5.625 1.00 0.00 C ATOM 30 C ALA A 3 -32.850 -5.183 -5.166 1.00 0.00 C ATOM 31 O ALA A 3 -33.334 -4.352 -4.398 1.00 0.00 O ATOM 32 CB ALA A 3 -33.972 -7.302 -4.445 1.00 0.00 C ATOM 0 H ALA A 3 -32.593 -8.057 -6.350 1.00 0.00 H new ATOM 0 HA ALA A 3 -34.589 -6.055 -6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -34.531 -6.739 -3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -34.571 -8.146 -4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -33.045 -7.670 -4.004 1.00 0.00 H new ATOM 38 N ALA A 4 -31.619 -5.098 -5.658 1.00 0.00 N ATOM 39 CA ALA A 4 -30.720 -4.003 -5.327 1.00 0.00 C ATOM 40 C ALA A 4 -30.697 -2.966 -6.442 1.00 0.00 C ATOM 41 O ALA A 4 -29.709 -2.255 -6.626 1.00 0.00 O ATOM 42 CB ALA A 4 -29.322 -4.547 -5.082 1.00 0.00 C ATOM 0 H ALA A 4 -31.219 -5.786 -6.296 1.00 0.00 H new ATOM 0 HA ALA A 4 -31.080 -3.516 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -28.650 -3.725 -4.834 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -29.348 -5.257 -4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -28.964 -5.050 -5.981 1.00 0.00 H new ATOM 48 N MET A 5 -31.797 -2.894 -7.185 1.00 0.00 N ATOM 49 CA MET A 5 -31.927 -1.956 -8.294 1.00 0.00 C ATOM 50 C MET A 5 -31.469 -0.556 -7.898 1.00 0.00 C ATOM 51 O MET A 5 -30.450 -0.064 -8.382 1.00 0.00 O ATOM 52 CB MET A 5 -33.379 -1.905 -8.763 1.00 0.00 C ATOM 53 CG MET A 5 -33.557 -1.267 -10.131 1.00 0.00 C ATOM 54 SD MET A 5 -35.286 -1.181 -10.637 1.00 0.00 S ATOM 55 CE MET A 5 -35.129 -0.429 -12.255 1.00 0.00 C ATOM 0 H MET A 5 -32.618 -3.480 -7.037 1.00 0.00 H new ATOM 0 HA MET A 5 -31.288 -2.306 -9.105 1.00 0.00 H new ATOM 0 HB2 MET A 5 -33.779 -2.919 -8.790 1.00 0.00 H new ATOM 0 HB3 MET A 5 -33.968 -1.349 -8.033 1.00 0.00 H new ATOM 0 HG2 MET A 5 -33.136 -0.262 -10.116 1.00 0.00 H new ATOM 0 HG3 MET A 5 -32.994 -1.837 -10.870 1.00 0.00 H new ATOM 0 HE1 MET A 5 -36.118 -0.310 -12.698 1.00 0.00 H new ATOM 0 HE2 MET A 5 -34.654 0.547 -12.158 1.00 0.00 H new ATOM 0 HE3 MET A 5 -34.519 -1.067 -12.895 1.00 0.00 H new ATOM 65 N GLU A 6 -32.231 0.081 -7.014 1.00 0.00 N ATOM 66 CA GLU A 6 -31.910 1.428 -6.564 1.00 0.00 C ATOM 67 C GLU A 6 -31.269 1.411 -5.180 1.00 0.00 C ATOM 68 O GLU A 6 -31.012 2.463 -4.593 1.00 0.00 O ATOM 69 CB GLU A 6 -33.174 2.289 -6.540 1.00 0.00 C ATOM 70 CG GLU A 6 -33.912 2.320 -7.869 1.00 0.00 C ATOM 71 CD GLU A 6 -35.205 3.110 -7.799 1.00 0.00 C ATOM 72 OE1 GLU A 6 -36.219 2.548 -7.334 1.00 0.00 O ATOM 73 OE2 GLU A 6 -35.205 4.289 -8.212 1.00 0.00 O ATOM 0 H GLU A 6 -33.073 -0.315 -6.597 1.00 0.00 H new ATOM 0 HA GLU A 6 -31.194 1.855 -7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -33.846 1.912 -5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -32.905 3.307 -6.259 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -33.265 2.756 -8.630 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -34.130 1.299 -8.183 1.00 0.00 H new ATOM 80 N ARG A 7 -31.017 0.212 -4.660 1.00 0.00 N ATOM 81 CA ARG A 7 -30.405 0.070 -3.339 1.00 0.00 C ATOM 82 C ARG A 7 -28.981 -0.465 -3.445 1.00 0.00 C ATOM 83 O ARG A 7 -28.723 -1.438 -4.154 1.00 0.00 O ATOM 84 CB ARG A 7 -31.243 -0.855 -2.448 1.00 0.00 C ATOM 85 CG ARG A 7 -32.697 -0.433 -2.327 1.00 0.00 C ATOM 86 CD ARG A 7 -33.460 -1.342 -1.378 1.00 0.00 C ATOM 87 NE ARG A 7 -32.868 -1.357 -0.043 1.00 0.00 N ATOM 88 CZ ARG A 7 -33.573 -1.493 1.075 1.00 0.00 C ATOM 89 NH1 ARG A 7 -34.893 -1.611 1.021 1.00 0.00 N ATOM 90 NH2 ARG A 7 -32.958 -1.507 2.250 1.00 0.00 N ATOM 0 H ARG A 7 -31.225 -0.670 -5.128 1.00 0.00 H new ATOM 0 HA ARG A 7 -30.369 1.061 -2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -31.200 -1.868 -2.849 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -30.799 -0.887 -1.453 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -32.751 0.596 -1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -33.167 -0.454 -3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -34.496 -1.010 -1.312 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -33.475 -2.355 -1.780 1.00 0.00 H new ATOM 0 HE ARG A 7 -31.856 -1.257 0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -35.370 -1.598 0.119 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -35.431 -1.715 1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -31.943 -1.413 2.296 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -33.500 -1.611 3.108 1.00 0.00 H new ATOM 104 N GLN A 8 -28.060 0.181 -2.735 1.00 0.00 N ATOM 105 CA GLN A 8 -26.661 -0.230 -2.734 1.00 0.00 C ATOM 106 C GLN A 8 -26.026 0.057 -1.376 1.00 0.00 C ATOM 107 O GLN A 8 -26.339 1.061 -0.733 1.00 0.00 O ATOM 108 CB GLN A 8 -25.882 0.492 -3.850 1.00 0.00 C ATOM 109 CG GLN A 8 -25.561 1.945 -3.534 1.00 0.00 C ATOM 110 CD GLN A 8 -24.686 2.590 -4.593 1.00 0.00 C ATOM 111 OE1 GLN A 8 -23.870 1.923 -5.230 1.00 0.00 O ATOM 112 NE2 GLN A 8 -24.853 3.892 -4.787 1.00 0.00 N ATOM 0 H GLN A 8 -28.259 0.994 -2.152 1.00 0.00 H new ATOM 0 HA GLN A 8 -26.618 -1.303 -2.922 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -24.951 -0.044 -4.036 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -26.463 0.450 -4.771 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -26.490 2.508 -3.443 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -25.058 2.001 -2.568 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -25.541 4.406 -4.236 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -24.293 4.379 -5.487 1.00 0.00 H new ATOM 121 N VAL A 9 -25.137 -0.831 -0.943 1.00 0.00 N ATOM 122 CA VAL A 9 -24.462 -0.676 0.342 1.00 0.00 C ATOM 123 C VAL A 9 -23.160 0.115 0.190 1.00 0.00 C ATOM 124 O VAL A 9 -22.206 -0.369 -0.419 1.00 0.00 O ATOM 125 CB VAL A 9 -24.146 -2.048 0.974 1.00 0.00 C ATOM 126 CG1 VAL A 9 -23.539 -1.882 2.361 1.00 0.00 C ATOM 127 CG2 VAL A 9 -25.396 -2.913 1.033 1.00 0.00 C ATOM 0 H VAL A 9 -24.867 -1.666 -1.463 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.141 -0.128 0.995 1.00 0.00 H new ATOM 0 HB VAL A 9 -23.412 -2.550 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -23.326 -2.863 2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.614 -1.310 2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.242 -1.354 3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -25.151 -3.876 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -26.155 -2.414 1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -25.778 -3.070 0.024 1.00 0.00 H new ATOM 137 N PRO A 10 -23.098 1.345 0.743 1.00 0.00 N ATOM 138 CA PRO A 10 -21.898 2.185 0.657 1.00 0.00 C ATOM 139 C PRO A 10 -20.728 1.608 1.448 1.00 0.00 C ATOM 140 O PRO A 10 -20.912 1.048 2.529 1.00 0.00 O ATOM 141 CB PRO A 10 -22.346 3.518 1.266 1.00 0.00 C ATOM 142 CG PRO A 10 -23.484 3.162 2.157 1.00 0.00 C ATOM 143 CD PRO A 10 -24.183 2.012 1.489 1.00 0.00 C ATOM 0 HA PRO A 10 -21.537 2.270 -0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -21.538 3.990 1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -22.653 4.223 0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -23.131 2.882 3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -24.159 4.008 2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -24.642 1.343 2.216 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -24.977 2.354 0.825 1.00 0.00 H new ATOM 151 N TYR A 11 -19.525 1.751 0.901 1.00 0.00 N ATOM 152 CA TYR A 11 -18.320 1.247 1.551 1.00 0.00 C ATOM 153 C TYR A 11 -17.108 2.100 1.193 1.00 0.00 C ATOM 154 O TYR A 11 -16.637 2.081 0.055 1.00 0.00 O ATOM 155 CB TYR A 11 -18.065 -0.212 1.149 1.00 0.00 C ATOM 156 CG TYR A 11 -16.705 -0.729 1.575 1.00 0.00 C ATOM 157 CD1 TYR A 11 -16.425 -0.987 2.912 1.00 0.00 C ATOM 158 CD2 TYR A 11 -15.701 -0.954 0.640 1.00 0.00 C ATOM 159 CE1 TYR A 11 -15.183 -1.453 3.304 1.00 0.00 C ATOM 160 CE2 TYR A 11 -14.458 -1.422 1.025 1.00 0.00 C ATOM 161 CZ TYR A 11 -14.205 -1.669 2.358 1.00 0.00 C ATOM 162 OH TYR A 11 -12.968 -2.130 2.747 1.00 0.00 O ATOM 0 H TYR A 11 -19.358 2.213 0.007 1.00 0.00 H new ATOM 0 HA TYR A 11 -18.475 1.299 2.629 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -18.838 -0.842 1.589 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -18.157 -0.303 0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -17.189 -0.821 3.657 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -15.895 -0.760 -0.405 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.981 -1.647 4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.689 -1.593 0.286 1.00 0.00 H new ATOM 0 HH TYR A 11 -12.338 -2.047 2.001 1.00 0.00 H new ATOM 172 N THR A 12 -16.610 2.849 2.171 1.00 0.00 N ATOM 173 CA THR A 12 -15.446 3.701 1.962 1.00 0.00 C ATOM 174 C THR A 12 -14.238 3.177 2.733 1.00 0.00 C ATOM 175 O THR A 12 -14.271 3.105 3.961 1.00 0.00 O ATOM 176 CB THR A 12 -15.712 5.153 2.407 1.00 0.00 C ATOM 177 OG1 THR A 12 -16.574 5.805 1.466 1.00 0.00 O ATOM 178 CG2 THR A 12 -14.405 5.928 2.536 1.00 0.00 C ATOM 0 H THR A 12 -16.994 2.883 3.115 1.00 0.00 H new ATOM 0 HA THR A 12 -15.241 3.685 0.892 1.00 0.00 H new ATOM 0 HB THR A 12 -16.197 5.129 3.383 1.00 0.00 H new ATOM 0 HG1 THR A 12 -16.739 6.726 1.757 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.617 6.950 2.851 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.767 5.445 3.276 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.895 5.944 1.573 1.00 0.00 H new ATOM 186 N PRO A 13 -13.154 2.803 2.032 1.00 0.00 N ATOM 187 CA PRO A 13 -11.952 2.314 2.665 1.00 0.00 C ATOM 188 C PRO A 13 -10.913 3.417 2.825 1.00 0.00 C ATOM 189 O PRO A 13 -10.312 3.865 1.848 1.00 0.00 O ATOM 190 CB PRO A 13 -11.475 1.258 1.674 1.00 0.00 C ATOM 191 CG PRO A 13 -11.967 1.719 0.332 1.00 0.00 C ATOM 192 CD PRO A 13 -13.003 2.799 0.573 1.00 0.00 C ATOM 0 HA PRO A 13 -12.118 1.935 3.673 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.389 1.171 1.685 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.876 0.276 1.923 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.142 2.106 -0.267 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.402 0.888 -0.223 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.669 3.767 0.201 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.944 2.573 0.072 1.00 0.00 H new ATOM 200 N CYS A 14 -10.728 3.850 4.066 1.00 0.00 N ATOM 201 CA CYS A 14 -9.760 4.893 4.401 1.00 0.00 C ATOM 202 C CYS A 14 -10.247 6.264 3.945 1.00 0.00 C ATOM 203 O CYS A 14 -10.849 6.400 2.880 1.00 0.00 O ATOM 204 CB CYS A 14 -8.394 4.591 3.779 1.00 0.00 C ATOM 205 SG CYS A 14 -7.842 2.870 4.003 1.00 0.00 S ATOM 0 H CYS A 14 -11.243 3.490 4.869 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.656 4.906 5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.435 4.813 2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.652 5.259 4.215 1.00 0.00 H new ATOM 210 N SER A 15 -9.981 7.274 4.767 1.00 0.00 N ATOM 211 CA SER A 15 -10.383 8.642 4.463 1.00 0.00 C ATOM 212 C SER A 15 -9.690 9.624 5.399 1.00 0.00 C ATOM 213 O SER A 15 -9.532 9.353 6.590 1.00 0.00 O ATOM 214 CB SER A 15 -11.900 8.795 4.580 1.00 0.00 C ATOM 215 OG SER A 15 -12.347 8.476 5.887 1.00 0.00 O ATOM 0 H SER A 15 -9.486 7.169 5.653 1.00 0.00 H new ATOM 0 HA SER A 15 -10.085 8.863 3.438 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.185 9.818 4.335 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.391 8.145 3.856 1.00 0.00 H new ATOM 0 HG SER A 15 -13.320 8.584 5.935 1.00 0.00 H new ATOM 221 N GLY A 16 -9.280 10.764 4.857 1.00 0.00 N ATOM 222 CA GLY A 16 -8.606 11.766 5.660 1.00 0.00 C ATOM 223 C GLY A 16 -7.103 11.572 5.694 1.00 0.00 C ATOM 224 O GLY A 16 -6.346 12.483 5.357 1.00 0.00 O ATOM 0 H GLY A 16 -9.402 11.013 3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.832 12.756 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.996 11.733 6.677 1.00 0.00 H new ATOM 228 N LEU A 17 -6.667 10.381 6.100 1.00 0.00 N ATOM 229 CA LEU A 17 -5.242 10.078 6.177 1.00 0.00 C ATOM 230 C LEU A 17 -4.669 9.785 4.795 1.00 0.00 C ATOM 231 O LEU A 17 -3.661 10.370 4.396 1.00 0.00 O ATOM 232 CB LEU A 17 -5.003 8.881 7.103 1.00 0.00 C ATOM 233 CG LEU A 17 -5.521 9.048 8.533 1.00 0.00 C ATOM 234 CD1 LEU A 17 -5.406 7.740 9.298 1.00 0.00 C ATOM 235 CD2 LEU A 17 -4.760 10.154 9.251 1.00 0.00 C ATOM 0 H LEU A 17 -7.278 9.614 6.379 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.734 10.953 6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.475 8.002 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.932 8.681 7.143 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.573 9.328 8.486 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.779 7.878 10.313 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.995 6.972 8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.362 7.430 9.334 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.142 10.258 10.267 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.700 9.903 9.286 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.892 11.094 8.715 1.00 0.00 H new ATOM 247 N TYR A 18 -5.317 8.880 4.065 1.00 0.00 N ATOM 248 CA TYR A 18 -4.865 8.521 2.724 1.00 0.00 C ATOM 249 C TYR A 18 -6.028 8.580 1.739 1.00 0.00 C ATOM 250 O TYR A 18 -5.889 9.068 0.619 1.00 0.00 O ATOM 251 CB TYR A 18 -4.240 7.118 2.740 1.00 0.00 C ATOM 252 CG TYR A 18 -3.283 6.904 3.894 1.00 0.00 C ATOM 253 CD1 TYR A 18 -2.180 7.731 4.074 1.00 0.00 C ATOM 254 CD2 TYR A 18 -3.494 5.886 4.815 1.00 0.00 C ATOM 255 CE1 TYR A 18 -1.314 7.547 5.135 1.00 0.00 C ATOM 256 CE2 TYR A 18 -2.634 5.697 5.881 1.00 0.00 C ATOM 257 CZ TYR A 18 -1.547 6.529 6.037 1.00 0.00 C ATOM 258 OH TYR A 18 -0.689 6.342 7.096 1.00 0.00 O ATOM 0 H TYR A 18 -6.152 8.385 4.378 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.108 9.236 2.402 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.035 6.374 2.793 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.710 6.953 1.802 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.997 8.531 3.372 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.344 5.231 4.696 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.460 8.196 5.258 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.814 4.901 6.588 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.996 5.584 7.636 1.00 0.00 H new ATOM 268 N GLY A 19 -7.172 8.073 2.180 1.00 0.00 N ATOM 269 CA GLY A 19 -8.379 8.099 1.369 1.00 0.00 C ATOM 270 C GLY A 19 -8.241 7.412 0.021 1.00 0.00 C ATOM 271 O GLY A 19 -9.105 7.575 -0.841 1.00 0.00 O ATOM 0 H GLY A 19 -7.288 7.639 3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.187 7.623 1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.672 9.136 1.207 1.00 0.00 H new ATOM 275 N THR A 20 -7.173 6.644 -0.174 1.00 0.00 N ATOM 276 CA THR A 20 -6.968 5.966 -1.449 1.00 0.00 C ATOM 277 C THR A 20 -6.671 4.481 -1.273 1.00 0.00 C ATOM 278 O THR A 20 -5.629 4.104 -0.736 1.00 0.00 O ATOM 279 CB THR A 20 -5.821 6.617 -2.248 1.00 0.00 C ATOM 280 OG1 THR A 20 -6.113 7.999 -2.484 1.00 0.00 O ATOM 281 CG2 THR A 20 -5.613 5.907 -3.580 1.00 0.00 C ATOM 0 H THR A 20 -6.447 6.477 0.523 1.00 0.00 H new ATOM 0 HA THR A 20 -7.902 6.068 -2.001 1.00 0.00 H new ATOM 0 HB THR A 20 -4.907 6.530 -1.661 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.275 8.499 -2.576 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.799 6.385 -4.124 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.364 4.861 -3.400 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.527 5.966 -4.170 1.00 0.00 H new ATOM 289 N ALA A 21 -7.599 3.643 -1.732 1.00 0.00 N ATOM 290 CA ALA A 21 -7.432 2.192 -1.647 1.00 0.00 C ATOM 291 C ALA A 21 -6.587 1.682 -2.815 1.00 0.00 C ATOM 292 O ALA A 21 -6.672 2.218 -3.921 1.00 0.00 O ATOM 293 CB ALA A 21 -8.792 1.510 -1.634 1.00 0.00 C ATOM 0 H ALA A 21 -8.472 3.942 -2.166 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.912 1.952 -0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.657 0.430 -1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.364 1.855 -0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.331 1.755 -2.549 1.00 0.00 H new ATOM 299 N GLN A 22 -5.778 0.643 -2.575 1.00 0.00 N ATOM 300 CA GLN A 22 -4.920 0.091 -3.626 1.00 0.00 C ATOM 301 C GLN A 22 -4.134 -1.111 -3.115 1.00 0.00 C ATOM 302 O GLN A 22 -4.127 -1.398 -1.921 1.00 0.00 O ATOM 303 CB GLN A 22 -3.958 1.164 -4.166 1.00 0.00 C ATOM 304 CG GLN A 22 -3.291 2.005 -3.084 1.00 0.00 C ATOM 305 CD GLN A 22 -2.247 2.956 -3.640 1.00 0.00 C ATOM 306 OE1 GLN A 22 -2.449 3.405 -4.874 1.00 0.00 O flip ATOM 307 NE2 GLN A 22 -1.276 3.290 -2.964 1.00 0.00 N flip ATOM 0 H GLN A 22 -5.701 0.173 -1.673 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.564 -0.240 -4.441 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.185 0.677 -4.760 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.507 1.824 -4.837 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.052 2.578 -2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.823 1.345 -2.354 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.160 2.921 -2.020 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.586 3.937 -3.347 1.00 0.00 H new ATOM 316 N CYS A 23 -3.468 -1.809 -4.031 1.00 0.00 N ATOM 317 CA CYS A 23 -2.681 -2.984 -3.674 1.00 0.00 C ATOM 318 C CYS A 23 -1.199 -2.635 -3.621 1.00 0.00 C ATOM 319 O CYS A 23 -0.670 -2.013 -4.542 1.00 0.00 O ATOM 320 CB CYS A 23 -2.912 -4.110 -4.686 1.00 0.00 C ATOM 321 SG CYS A 23 -4.668 -4.446 -5.043 1.00 0.00 S ATOM 0 H CYS A 23 -3.458 -1.581 -5.025 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.001 -3.323 -2.689 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.406 -3.856 -5.617 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.448 -5.022 -4.310 1.00 0.00 H new ATOM 326 N CYS A 24 -0.529 -3.039 -2.545 1.00 0.00 N ATOM 327 CA CYS A 24 0.895 -2.749 -2.383 1.00 0.00 C ATOM 328 C CYS A 24 1.731 -4.022 -2.458 1.00 0.00 C ATOM 329 O CYS A 24 1.683 -4.863 -1.562 1.00 0.00 O ATOM 330 CB CYS A 24 1.140 -2.027 -1.055 1.00 0.00 C ATOM 331 SG CYS A 24 0.399 -0.363 -0.977 1.00 0.00 S ATOM 0 H CYS A 24 -0.945 -3.565 -1.776 1.00 0.00 H new ATOM 0 HA CYS A 24 1.203 -2.099 -3.202 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.738 -2.633 -0.243 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.214 -1.945 -0.889 1.00 0.00 H new ATOM 336 N ALA A 25 2.499 -4.153 -3.539 1.00 0.00 N ATOM 337 CA ALA A 25 3.349 -5.319 -3.740 1.00 0.00 C ATOM 338 C ALA A 25 4.660 -5.168 -2.981 1.00 0.00 C ATOM 339 O ALA A 25 5.562 -4.450 -3.417 1.00 0.00 O ATOM 340 CB ALA A 25 3.611 -5.537 -5.222 1.00 0.00 C ATOM 0 H ALA A 25 2.548 -3.463 -4.289 1.00 0.00 H new ATOM 0 HA ALA A 25 2.829 -6.193 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.248 -6.412 -5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.665 -5.695 -5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.109 -4.660 -5.636 1.00 0.00 H new ATOM 346 N THR A 26 4.760 -5.848 -1.847 1.00 0.00 N ATOM 347 CA THR A 26 5.957 -5.783 -1.021 1.00 0.00 C ATOM 348 C THR A 26 7.136 -6.470 -1.696 1.00 0.00 C ATOM 349 O THR A 26 6.965 -7.275 -2.610 1.00 0.00 O ATOM 350 CB THR A 26 5.735 -6.433 0.356 1.00 0.00 C ATOM 351 OG1 THR A 26 5.458 -7.831 0.199 1.00 0.00 O ATOM 352 CG2 THR A 26 4.586 -5.766 1.096 1.00 0.00 C ATOM 0 H THR A 26 4.025 -6.452 -1.478 1.00 0.00 H new ATOM 0 HA THR A 26 6.178 -4.724 -0.887 1.00 0.00 H new ATOM 0 HB THR A 26 6.645 -6.304 0.942 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.320 -8.238 1.080 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.451 -6.245 2.066 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.811 -4.709 1.241 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.671 -5.865 0.512 1.00 0.00 H new ATOM 360 N ASP A 27 8.334 -6.138 -1.234 1.00 0.00 N ATOM 361 CA ASP A 27 9.556 -6.721 -1.772 1.00 0.00 C ATOM 362 C ASP A 27 9.851 -8.064 -1.108 1.00 0.00 C ATOM 363 O ASP A 27 9.080 -8.530 -0.268 1.00 0.00 O ATOM 364 CB ASP A 27 10.724 -5.759 -1.563 1.00 0.00 C ATOM 365 CG ASP A 27 10.818 -4.715 -2.657 1.00 0.00 C ATOM 366 OD1 ASP A 27 11.468 -4.992 -3.688 1.00 0.00 O ATOM 367 OD2 ASP A 27 10.242 -3.621 -2.485 1.00 0.00 O ATOM 0 H ASP A 27 8.486 -5.464 -0.484 1.00 0.00 H new ATOM 0 HA ASP A 27 9.421 -6.892 -2.840 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.613 -5.262 -0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.655 -6.325 -1.524 1.00 0.00 H new ATOM 372 N VAL A 28 10.967 -8.681 -1.483 1.00 0.00 N ATOM 373 CA VAL A 28 11.348 -9.973 -0.918 1.00 0.00 C ATOM 374 C VAL A 28 12.363 -9.808 0.210 1.00 0.00 C ATOM 375 O VAL A 28 12.003 -9.831 1.388 1.00 0.00 O ATOM 376 CB VAL A 28 11.934 -10.909 -1.993 1.00 0.00 C ATOM 377 CG1 VAL A 28 12.289 -12.262 -1.394 1.00 0.00 C ATOM 378 CG2 VAL A 28 10.957 -11.069 -3.148 1.00 0.00 C ATOM 0 H VAL A 28 11.621 -8.310 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 28 10.438 -10.420 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 28 12.850 -10.460 -2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.701 -12.907 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.028 -12.128 -0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.393 -12.722 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.386 -11.733 -3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.024 -11.494 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.760 -10.095 -3.596 1.00 0.00 H new ATOM 388 N LEU A 29 13.631 -9.641 -0.157 1.00 0.00 N ATOM 389 CA LEU A 29 14.697 -9.475 0.827 1.00 0.00 C ATOM 390 C LEU A 29 15.058 -8.003 0.988 1.00 0.00 C ATOM 391 O LEU A 29 15.287 -7.530 2.101 1.00 0.00 O ATOM 392 CB LEU A 29 15.934 -10.278 0.414 1.00 0.00 C ATOM 393 CG LEU A 29 17.126 -10.182 1.370 1.00 0.00 C ATOM 394 CD1 LEU A 29 16.812 -10.856 2.697 1.00 0.00 C ATOM 395 CD2 LEU A 29 18.363 -10.797 0.739 1.00 0.00 C ATOM 0 H LEU A 29 13.945 -9.617 -1.127 1.00 0.00 H new ATOM 0 HA LEU A 29 14.337 -9.850 1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.651 -11.326 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.253 -9.941 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 29 17.323 -9.128 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 29 17.674 -10.775 3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.953 -10.369 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.584 -11.908 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 29 19.201 -10.720 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.173 -11.846 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.604 -10.266 -0.182 1.00 0.00 H new ATOM 407 N GLY A 30 15.109 -7.286 -0.129 1.00 0.00 N ATOM 408 CA GLY A 30 15.428 -5.871 -0.085 1.00 0.00 C ATOM 409 C GLY A 30 14.222 -5.035 0.286 1.00 0.00 C ATOM 410 O GLY A 30 14.028 -3.940 -0.241 1.00 0.00 O ATOM 0 H GLY A 30 14.936 -7.658 -1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 30 16.225 -5.700 0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 30 15.806 -5.553 -1.057 1.00 0.00 H new ATOM 414 N VAL A 31 13.408 -5.562 1.197 1.00 0.00 N ATOM 415 CA VAL A 31 12.203 -4.877 1.645 1.00 0.00 C ATOM 416 C VAL A 31 12.513 -3.476 2.163 1.00 0.00 C ATOM 417 O VAL A 31 13.564 -3.237 2.760 1.00 0.00 O ATOM 418 CB VAL A 31 11.482 -5.680 2.743 1.00 0.00 C ATOM 419 CG1 VAL A 31 12.379 -5.840 3.958 1.00 0.00 C ATOM 420 CG2 VAL A 31 10.167 -5.015 3.123 1.00 0.00 C ATOM 0 H VAL A 31 13.564 -6.467 1.641 1.00 0.00 H new ATOM 0 HA VAL A 31 11.549 -4.791 0.777 1.00 0.00 H new ATOM 0 HB VAL A 31 11.256 -6.672 2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.854 -6.410 4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.288 -6.368 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.639 -4.857 4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.675 -5.600 3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.362 -4.009 3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.521 -4.959 2.247 1.00 0.00 H new ATOM 430 N ALA A 32 11.576 -2.566 1.931 1.00 0.00 N ATOM 431 CA ALA A 32 11.707 -1.175 2.348 1.00 0.00 C ATOM 432 C ALA A 32 10.485 -0.381 1.904 1.00 0.00 C ATOM 433 O ALA A 32 9.926 0.408 2.665 1.00 0.00 O ATOM 434 CB ALA A 32 12.972 -0.557 1.769 1.00 0.00 C ATOM 0 H ALA A 32 10.702 -2.772 1.447 1.00 0.00 H new ATOM 0 HA ALA A 32 11.776 -1.145 3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.051 0.481 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.842 -1.113 2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.931 -0.596 0.680 1.00 0.00 H new ATOM 440 N ASP A 33 10.079 -0.608 0.659 1.00 0.00 N ATOM 441 CA ASP A 33 8.920 0.061 0.086 1.00 0.00 C ATOM 442 C ASP A 33 8.069 -0.944 -0.687 1.00 0.00 C ATOM 443 O ASP A 33 8.566 -1.993 -1.097 1.00 0.00 O ATOM 444 CB ASP A 33 9.365 1.191 -0.844 1.00 0.00 C ATOM 445 CG ASP A 33 10.249 2.203 -0.141 1.00 0.00 C ATOM 446 OD1 ASP A 33 11.470 1.958 -0.042 1.00 0.00 O ATOM 447 OD2 ASP A 33 9.721 3.240 0.312 1.00 0.00 O ATOM 0 H ASP A 33 10.542 -1.257 0.023 1.00 0.00 H new ATOM 0 HA ASP A 33 8.326 0.486 0.895 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.904 0.769 -1.692 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.486 1.696 -1.244 1.00 0.00 H new ATOM 452 N LEU A 34 6.790 -0.630 -0.888 1.00 0.00 N ATOM 453 CA LEU A 34 5.904 -1.533 -1.618 1.00 0.00 C ATOM 454 C LEU A 34 5.294 -0.820 -2.818 1.00 0.00 C ATOM 455 O LEU A 34 4.789 0.295 -2.698 1.00 0.00 O ATOM 456 CB LEU A 34 4.773 -2.085 -0.731 1.00 0.00 C ATOM 457 CG LEU A 34 4.893 -1.840 0.774 1.00 0.00 C ATOM 458 CD1 LEU A 34 3.620 -2.297 1.485 1.00 0.00 C ATOM 459 CD2 LEU A 34 6.103 -2.576 1.332 1.00 0.00 C ATOM 0 H LEU A 34 6.350 0.230 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 34 6.514 -2.373 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.832 -1.652 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.707 -3.160 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 34 5.025 -0.772 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.717 -2.118 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.767 -1.738 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.466 -3.361 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.177 -2.394 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.993 -3.645 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.006 -2.217 0.839 1.00 0.00 H new ATOM 471 N ASP A 35 5.342 -1.470 -3.974 1.00 0.00 N ATOM 472 CA ASP A 35 4.783 -0.900 -5.193 1.00 0.00 C ATOM 473 C ASP A 35 3.262 -0.858 -5.101 1.00 0.00 C ATOM 474 O ASP A 35 2.588 -1.860 -5.338 1.00 0.00 O ATOM 475 CB ASP A 35 5.212 -1.725 -6.408 1.00 0.00 C ATOM 476 CG ASP A 35 6.719 -1.802 -6.551 1.00 0.00 C ATOM 477 OD1 ASP A 35 7.305 -0.887 -7.168 1.00 0.00 O ATOM 478 OD2 ASP A 35 7.315 -2.777 -6.047 1.00 0.00 O ATOM 0 H ASP A 35 5.762 -2.392 -4.093 1.00 0.00 H new ATOM 0 HA ASP A 35 5.159 0.117 -5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.806 -2.733 -6.321 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.786 -1.286 -7.310 1.00 0.00 H new ATOM 483 N CYS A 36 2.727 0.310 -4.763 1.00 0.00 N ATOM 484 CA CYS A 36 1.287 0.475 -4.618 1.00 0.00 C ATOM 485 C CYS A 36 0.653 1.053 -5.880 1.00 0.00 C ATOM 486 O CYS A 36 0.928 2.191 -6.262 1.00 0.00 O ATOM 487 CB CYS A 36 0.985 1.371 -3.414 1.00 0.00 C ATOM 488 SG CYS A 36 1.786 0.826 -1.868 1.00 0.00 S ATOM 0 H CYS A 36 3.269 1.155 -4.585 1.00 0.00 H new ATOM 0 HA CYS A 36 0.851 -0.511 -4.456 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.307 2.387 -3.640 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.094 1.405 -3.260 1.00 0.00 H new ATOM 493 N ALA A 37 -0.202 0.256 -6.524 1.00 0.00 N ATOM 494 CA ALA A 37 -0.887 0.680 -7.737 1.00 0.00 C ATOM 495 C ALA A 37 -2.375 0.887 -7.470 1.00 0.00 C ATOM 496 O ALA A 37 -3.027 0.041 -6.859 1.00 0.00 O ATOM 497 CB ALA A 37 -0.682 -0.341 -8.846 1.00 0.00 C ATOM 0 H ALA A 37 -0.434 -0.690 -6.220 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.461 1.631 -8.058 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.200 -0.010 -9.746 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.383 -0.441 -9.056 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.082 -1.305 -8.531 1.00 0.00 H new ATOM 503 N ASN A 38 -2.906 2.012 -7.936 1.00 0.00 N ATOM 504 CA ASN A 38 -4.318 2.332 -7.736 1.00 0.00 C ATOM 505 C ASN A 38 -5.189 1.573 -8.739 1.00 0.00 C ATOM 506 O ASN A 38 -5.058 1.765 -9.947 1.00 0.00 O ATOM 507 CB ASN A 38 -4.551 3.844 -7.874 1.00 0.00 C ATOM 508 CG ASN A 38 -5.925 4.286 -7.395 1.00 0.00 C ATOM 509 OD1 ASN A 38 -6.950 3.484 -7.668 1.00 0.00 O flip ATOM 510 ND2 ASN A 38 -6.064 5.350 -6.791 1.00 0.00 N flip ATOM 0 H ASN A 38 -2.383 2.718 -8.454 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.598 2.024 -6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.787 4.376 -7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.429 4.130 -8.919 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.253 5.938 -6.600 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.990 5.643 -6.481 1.00 0.00 H new ATOM 517 N PRO A 39 -6.087 0.693 -8.249 1.00 0.00 N ATOM 518 CA PRO A 39 -6.980 -0.081 -9.106 1.00 0.00 C ATOM 519 C PRO A 39 -8.275 0.665 -9.429 1.00 0.00 C ATOM 520 O PRO A 39 -9.152 0.788 -8.574 1.00 0.00 O ATOM 521 CB PRO A 39 -7.274 -1.313 -8.254 1.00 0.00 C ATOM 522 CG PRO A 39 -7.208 -0.831 -6.841 1.00 0.00 C ATOM 523 CD PRO A 39 -6.295 0.373 -6.823 1.00 0.00 C ATOM 0 HA PRO A 39 -6.535 -0.300 -10.077 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.256 -1.727 -8.484 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.545 -2.102 -8.436 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.201 -0.567 -6.478 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.826 -1.613 -6.185 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.749 1.208 -6.290 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.352 0.150 -6.323 1.00 0.00 H new ATOM 531 N PRO A 40 -8.419 1.177 -10.668 1.00 0.00 N ATOM 532 CA PRO A 40 -9.624 1.904 -11.074 1.00 0.00 C ATOM 533 C PRO A 40 -10.816 0.971 -11.260 1.00 0.00 C ATOM 534 O PRO A 40 -10.870 0.202 -12.220 1.00 0.00 O ATOM 535 CB PRO A 40 -9.225 2.535 -12.409 1.00 0.00 C ATOM 536 CG PRO A 40 -8.176 1.630 -12.953 1.00 0.00 C ATOM 537 CD PRO A 40 -7.429 1.094 -11.762 1.00 0.00 C ATOM 0 HA PRO A 40 -9.939 2.630 -10.325 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.077 2.605 -13.085 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.843 3.547 -12.271 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.621 0.820 -13.531 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.506 2.168 -13.623 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.096 0.069 -11.925 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.541 1.687 -11.545 1.00 0.00 H new ATOM 545 N ALA A 41 -11.772 1.059 -10.339 1.00 0.00 N ATOM 546 CA ALA A 41 -12.967 0.224 -10.384 1.00 0.00 C ATOM 547 C ALA A 41 -13.896 0.551 -9.222 1.00 0.00 C ATOM 548 O ALA A 41 -13.543 1.323 -8.331 1.00 0.00 O ATOM 549 CB ALA A 41 -12.589 -1.252 -10.350 1.00 0.00 C ATOM 0 H ALA A 41 -11.741 1.704 -9.549 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.490 0.431 -11.317 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.493 -1.860 -10.384 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.961 -1.487 -11.209 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.042 -1.466 -9.432 1.00 0.00 H new ATOM 555 N THR A 42 -15.084 -0.041 -9.239 1.00 0.00 N ATOM 556 CA THR A 42 -16.063 0.184 -8.184 1.00 0.00 C ATOM 557 C THR A 42 -15.974 -0.899 -7.111 1.00 0.00 C ATOM 558 O THR A 42 -16.643 -1.929 -7.195 1.00 0.00 O ATOM 559 CB THR A 42 -17.496 0.231 -8.752 1.00 0.00 C ATOM 560 OG1 THR A 42 -18.449 0.198 -7.683 1.00 0.00 O ATOM 561 CG2 THR A 42 -17.748 -0.932 -9.702 1.00 0.00 C ATOM 0 H THR A 42 -15.392 -0.680 -9.972 1.00 0.00 H new ATOM 0 HA THR A 42 -15.833 1.149 -7.732 1.00 0.00 H new ATOM 0 HB THR A 42 -17.608 1.161 -9.310 1.00 0.00 H new ATOM 0 HG1 THR A 42 -19.356 0.230 -8.052 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.766 -0.873 -10.087 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.043 -0.883 -10.532 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.616 -1.873 -9.168 1.00 0.00 H new ATOM 569 N LEU A 43 -15.138 -0.659 -6.104 1.00 0.00 N ATOM 570 CA LEU A 43 -14.960 -1.611 -5.014 1.00 0.00 C ATOM 571 C LEU A 43 -16.295 -1.879 -4.320 1.00 0.00 C ATOM 572 O LEU A 43 -16.728 -1.105 -3.466 1.00 0.00 O ATOM 573 CB LEU A 43 -13.938 -1.074 -3.999 1.00 0.00 C ATOM 574 CG LEU A 43 -12.719 -0.370 -4.606 1.00 0.00 C ATOM 575 CD1 LEU A 43 -11.918 0.334 -3.520 1.00 0.00 C ATOM 576 CD2 LEU A 43 -11.837 -1.360 -5.354 1.00 0.00 C ATOM 0 H LEU A 43 -14.574 0.187 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 43 -14.586 -2.547 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.445 -0.376 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.589 -1.905 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.076 0.375 -5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.056 0.829 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.547 1.075 -3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.577 -0.398 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.979 -0.836 -5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.490 -2.130 -4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.410 -1.823 -6.157 1.00 0.00 H new ATOM 588 N ALA A 44 -16.943 -2.979 -4.701 1.00 0.00 N ATOM 589 CA ALA A 44 -18.235 -3.352 -4.128 1.00 0.00 C ATOM 590 C ALA A 44 -18.174 -3.405 -2.606 1.00 0.00 C ATOM 591 O ALA A 44 -19.084 -2.933 -1.923 1.00 0.00 O ATOM 592 CB ALA A 44 -18.692 -4.692 -4.685 1.00 0.00 C ATOM 0 H ALA A 44 -16.593 -3.628 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 44 -18.958 -2.586 -4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.655 -4.957 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -18.790 -4.621 -5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.958 -5.459 -4.437 1.00 0.00 H new ATOM 598 N ASN A 45 -17.100 -3.981 -2.080 1.00 0.00 N ATOM 599 CA ASN A 45 -16.919 -4.088 -0.637 1.00 0.00 C ATOM 600 C ASN A 45 -15.466 -4.394 -0.293 1.00 0.00 C ATOM 601 O ASN A 45 -14.582 -4.279 -1.143 1.00 0.00 O ATOM 602 CB ASN A 45 -17.852 -5.159 -0.050 1.00 0.00 C ATOM 603 CG ASN A 45 -17.847 -6.456 -0.838 1.00 0.00 C ATOM 604 OD1 ASN A 45 -16.680 -6.860 -1.321 1.00 0.00 O flip ATOM 605 ND2 ASN A 45 -18.886 -7.097 -0.999 1.00 0.00 N flip ATOM 0 H ASN A 45 -16.341 -4.381 -2.631 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.178 -3.127 -0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -17.555 -5.365 0.978 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.868 -4.767 -0.016 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -19.764 -6.751 -0.611 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -18.869 -7.974 -1.520 1.00 0.00 H new ATOM 612 N ALA A 46 -15.222 -4.784 0.954 1.00 0.00 N ATOM 613 CA ALA A 46 -13.873 -5.090 1.405 1.00 0.00 C ATOM 614 C ALA A 46 -13.346 -6.377 0.785 1.00 0.00 C ATOM 615 O ALA A 46 -12.300 -6.375 0.143 1.00 0.00 O ATOM 616 CB ALA A 46 -13.835 -5.178 2.922 1.00 0.00 C ATOM 0 H ALA A 46 -15.942 -4.895 1.668 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.222 -4.279 1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.820 -5.407 3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.147 -4.225 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.511 -5.965 3.258 1.00 0.00 H new ATOM 622 N THR A 47 -14.072 -7.470 0.980 1.00 0.00 N ATOM 623 CA THR A 47 -13.668 -8.764 0.442 1.00 0.00 C ATOM 624 C THR A 47 -13.413 -8.691 -1.063 1.00 0.00 C ATOM 625 O THR A 47 -12.743 -9.553 -1.632 1.00 0.00 O ATOM 626 CB THR A 47 -14.731 -9.844 0.723 1.00 0.00 C ATOM 627 OG1 THR A 47 -15.022 -9.890 2.125 1.00 0.00 O ATOM 628 CG2 THR A 47 -14.253 -11.212 0.259 1.00 0.00 C ATOM 0 H THR A 47 -14.945 -7.487 1.507 1.00 0.00 H new ATOM 0 HA THR A 47 -12.740 -9.036 0.945 1.00 0.00 H new ATOM 0 HB THR A 47 -15.633 -9.584 0.169 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.699 -10.577 2.296 1.00 0.00 H new ATOM 0 HG21 THR A 47 -15.021 -11.956 0.469 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.057 -11.185 -0.813 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.338 -11.476 0.788 1.00 0.00 H new ATOM 636 N HIS A 48 -13.941 -7.653 -1.706 1.00 0.00 N ATOM 637 CA HIS A 48 -13.777 -7.491 -3.145 1.00 0.00 C ATOM 638 C HIS A 48 -12.378 -7.001 -3.498 1.00 0.00 C ATOM 639 O HIS A 48 -11.679 -7.640 -4.285 1.00 0.00 O ATOM 640 CB HIS A 48 -14.833 -6.534 -3.705 1.00 0.00 C ATOM 641 CG HIS A 48 -14.821 -6.434 -5.202 1.00 0.00 C ATOM 642 ND1 HIS A 48 -15.667 -7.164 -6.009 1.00 0.00 N ATOM 643 CD2 HIS A 48 -14.064 -5.680 -6.037 1.00 0.00 C ATOM 644 CE1 HIS A 48 -15.431 -6.866 -7.275 1.00 0.00 C ATOM 645 NE2 HIS A 48 -14.465 -5.969 -7.318 1.00 0.00 N ATOM 0 H HIS A 48 -14.483 -6.916 -1.255 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.913 -8.471 -3.603 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.819 -6.864 -3.379 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -14.673 -5.542 -3.282 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.291 -4.983 -5.749 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.942 -7.286 -8.129 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -14.078 -5.556 -8.167 1.00 0.00 H new ATOM 654 N PHE A 49 -11.961 -5.871 -2.928 1.00 0.00 N ATOM 655 CA PHE A 49 -10.635 -5.350 -3.227 1.00 0.00 C ATOM 656 C PHE A 49 -9.590 -6.071 -2.388 1.00 0.00 C ATOM 657 O PHE A 49 -8.394 -6.012 -2.674 1.00 0.00 O ATOM 658 CB PHE A 49 -10.565 -3.820 -3.097 1.00 0.00 C ATOM 659 CG PHE A 49 -10.411 -3.258 -1.716 1.00 0.00 C ATOM 660 CD1 PHE A 49 -11.234 -3.653 -0.678 1.00 0.00 C ATOM 661 CD2 PHE A 49 -9.454 -2.288 -1.476 1.00 0.00 C ATOM 662 CE1 PHE A 49 -11.102 -3.088 0.577 1.00 0.00 C ATOM 663 CE2 PHE A 49 -9.312 -1.725 -0.226 1.00 0.00 C ATOM 664 CZ PHE A 49 -10.137 -2.123 0.801 1.00 0.00 C ATOM 0 H PHE A 49 -12.509 -5.313 -2.273 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.413 -5.554 -4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -9.729 -3.467 -3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -11.472 -3.402 -3.533 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -11.986 -4.409 -0.849 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.809 -1.967 -2.280 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.752 -3.400 1.381 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.556 -0.974 -0.053 1.00 0.00 H new ATOM 0 HZ PHE A 49 -10.031 -1.682 1.781 1.00 0.00 H new ATOM 674 N GLU A 50 -10.054 -6.745 -1.339 1.00 0.00 N ATOM 675 CA GLU A 50 -9.169 -7.526 -0.489 1.00 0.00 C ATOM 676 C GLU A 50 -8.633 -8.717 -1.278 1.00 0.00 C ATOM 677 O GLU A 50 -7.476 -9.108 -1.123 1.00 0.00 O ATOM 678 CB GLU A 50 -9.905 -8.027 0.757 1.00 0.00 C ATOM 679 CG GLU A 50 -9.799 -7.099 1.955 1.00 0.00 C ATOM 680 CD GLU A 50 -10.469 -7.668 3.191 1.00 0.00 C ATOM 681 OE1 GLU A 50 -11.706 -7.541 3.307 1.00 0.00 O ATOM 682 OE2 GLU A 50 -9.758 -8.242 4.041 1.00 0.00 O ATOM 0 H GLU A 50 -11.035 -6.764 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.345 -6.889 -0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.958 -8.168 0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.508 -9.004 1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.748 -6.908 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.253 -6.139 1.709 1.00 0.00 H new ATOM 689 N SER A 51 -9.491 -9.289 -2.127 1.00 0.00 N ATOM 690 CA SER A 51 -9.108 -10.429 -2.950 1.00 0.00 C ATOM 691 C SER A 51 -8.388 -9.976 -4.218 1.00 0.00 C ATOM 692 O SER A 51 -7.493 -10.664 -4.709 1.00 0.00 O ATOM 693 CB SER A 51 -10.342 -11.252 -3.321 1.00 0.00 C ATOM 694 OG SER A 51 -11.001 -11.736 -2.163 1.00 0.00 O ATOM 0 H SER A 51 -10.454 -8.978 -2.259 1.00 0.00 H new ATOM 0 HA SER A 51 -8.424 -11.047 -2.369 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.029 -10.639 -3.905 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.047 -12.090 -3.952 1.00 0.00 H new ATOM 0 HG SER A 51 -11.650 -11.070 -1.854 1.00 0.00 H new ATOM 700 N THR A 52 -8.784 -8.819 -4.748 1.00 0.00 N ATOM 701 CA THR A 52 -8.168 -8.289 -5.962 1.00 0.00 C ATOM 702 C THR A 52 -6.666 -8.101 -5.764 1.00 0.00 C ATOM 703 O THR A 52 -5.887 -8.210 -6.710 1.00 0.00 O ATOM 704 CB THR A 52 -8.815 -6.955 -6.405 1.00 0.00 C ATOM 705 OG1 THR A 52 -8.723 -6.823 -7.829 1.00 0.00 O ATOM 706 CG2 THR A 52 -8.146 -5.753 -5.747 1.00 0.00 C ATOM 0 H THR A 52 -9.524 -8.235 -4.358 1.00 0.00 H new ATOM 0 HA THR A 52 -8.337 -9.019 -6.753 1.00 0.00 H new ATOM 0 HB THR A 52 -9.859 -6.976 -6.092 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.135 -5.978 -8.107 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.630 -4.837 -6.085 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.237 -5.833 -4.664 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.091 -5.728 -6.021 1.00 0.00 H new ATOM 714 N CYS A 53 -6.272 -7.816 -4.525 1.00 0.00 N ATOM 715 CA CYS A 53 -4.866 -7.628 -4.193 1.00 0.00 C ATOM 716 C CYS A 53 -4.210 -8.968 -3.883 1.00 0.00 C ATOM 717 O CYS A 53 -3.134 -9.279 -4.394 1.00 0.00 O ATOM 718 CB CYS A 53 -4.720 -6.688 -2.994 1.00 0.00 C ATOM 719 SG CYS A 53 -5.427 -5.028 -3.253 1.00 0.00 S ATOM 0 H CYS A 53 -6.909 -7.711 -3.735 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.368 -7.181 -5.053 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.201 -7.144 -2.129 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.662 -6.586 -2.754 1.00 0.00 H new ATOM 724 N ALA A 54 -4.869 -9.759 -3.037 1.00 0.00 N ATOM 725 CA ALA A 54 -4.359 -11.070 -2.654 1.00 0.00 C ATOM 726 C ALA A 54 -4.221 -11.994 -3.860 1.00 0.00 C ATOM 727 O ALA A 54 -3.557 -13.028 -3.783 1.00 0.00 O ATOM 728 CB ALA A 54 -5.269 -11.701 -1.610 1.00 0.00 C ATOM 0 H ALA A 54 -5.759 -9.512 -2.604 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.365 -10.930 -2.228 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.879 -12.680 -1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.309 -11.062 -0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.272 -11.814 -2.022 1.00 0.00 H new ATOM 734 N ALA A 55 -4.854 -11.620 -4.971 1.00 0.00 N ATOM 735 CA ALA A 55 -4.792 -12.420 -6.191 1.00 0.00 C ATOM 736 C ALA A 55 -3.348 -12.746 -6.551 1.00 0.00 C ATOM 737 O ALA A 55 -3.006 -13.901 -6.807 1.00 0.00 O ATOM 738 CB ALA A 55 -5.471 -11.693 -7.342 1.00 0.00 C ATOM 0 H ALA A 55 -5.414 -10.771 -5.051 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.321 -13.356 -6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.415 -12.305 -8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.516 -11.511 -7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.969 -10.741 -7.518 1.00 0.00 H new ATOM 744 N ILE A 56 -2.505 -11.719 -6.567 1.00 0.00 N ATOM 745 CA ILE A 56 -1.092 -11.896 -6.884 1.00 0.00 C ATOM 746 C ILE A 56 -0.301 -12.224 -5.623 1.00 0.00 C ATOM 747 O ILE A 56 0.880 -12.566 -5.688 1.00 0.00 O ATOM 748 CB ILE A 56 -0.492 -10.639 -7.545 1.00 0.00 C ATOM 749 CG1 ILE A 56 -0.577 -9.442 -6.592 1.00 0.00 C ATOM 750 CG2 ILE A 56 -1.210 -10.340 -8.856 1.00 0.00 C ATOM 751 CD1 ILE A 56 0.027 -8.171 -7.152 1.00 0.00 C ATOM 0 H ILE A 56 -2.775 -10.756 -6.364 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.023 -12.723 -7.590 1.00 0.00 H new ATOM 0 HB ILE A 56 0.559 -10.825 -7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.623 -9.259 -6.346 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.070 -9.694 -5.661 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.777 -9.450 -9.313 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.098 -11.187 -9.533 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.269 -10.169 -8.660 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.071 -7.369 -6.421 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.082 -8.335 -7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.495 -7.893 -8.068 1.00 0.00 H new ATOM 763 N GLY A 57 -0.967 -12.119 -4.476 1.00 0.00 N ATOM 764 CA GLY A 57 -0.323 -12.407 -3.208 1.00 0.00 C ATOM 765 C GLY A 57 -0.066 -11.156 -2.391 1.00 0.00 C ATOM 766 O GLY A 57 0.933 -11.072 -1.675 1.00 0.00 O ATOM 0 H GLY A 57 -1.945 -11.838 -4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.948 -13.090 -2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.622 -12.918 -3.392 1.00 0.00 H new ATOM 770 N GLN A 58 -0.969 -10.183 -2.490 1.00 0.00 N ATOM 771 CA GLN A 58 -0.824 -8.930 -1.753 1.00 0.00 C ATOM 772 C GLN A 58 -2.033 -8.673 -0.856 1.00 0.00 C ATOM 773 O GLN A 58 -2.779 -9.593 -0.526 1.00 0.00 O ATOM 774 CB GLN A 58 -0.624 -7.761 -2.719 1.00 0.00 C ATOM 775 CG GLN A 58 0.665 -7.841 -3.525 1.00 0.00 C ATOM 776 CD GLN A 58 1.868 -8.230 -2.684 1.00 0.00 C ATOM 777 OE1 GLN A 58 2.252 -7.514 -1.758 1.00 0.00 O ATOM 778 NE2 GLN A 58 2.470 -9.369 -3.005 1.00 0.00 N ATOM 0 H GLN A 58 -1.806 -10.238 -3.071 1.00 0.00 H new ATOM 0 HA GLN A 58 0.057 -9.017 -1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.469 -7.722 -3.406 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.630 -6.830 -2.153 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.540 -8.567 -4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.854 -6.876 -3.995 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.118 -9.931 -3.780 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.284 -9.682 -2.477 1.00 0.00 H new ATOM 787 N ARG A 59 -2.217 -7.414 -0.461 1.00 0.00 N ATOM 788 CA ARG A 59 -3.328 -7.042 0.410 1.00 0.00 C ATOM 789 C ARG A 59 -3.785 -5.613 0.150 1.00 0.00 C ATOM 790 O ARG A 59 -3.056 -4.803 -0.422 1.00 0.00 O ATOM 791 CB ARG A 59 -2.917 -7.185 1.877 1.00 0.00 C ATOM 792 CG ARG A 59 -1.866 -6.177 2.311 1.00 0.00 C ATOM 793 CD ARG A 59 -0.462 -6.641 1.961 1.00 0.00 C ATOM 794 NE ARG A 59 -0.062 -7.808 2.743 1.00 0.00 N ATOM 795 CZ ARG A 59 1.068 -8.480 2.542 1.00 0.00 C ATOM 796 NH1 ARG A 59 1.905 -8.112 1.581 1.00 0.00 N ATOM 797 NH2 ARG A 59 1.361 -9.528 3.301 1.00 0.00 N ATOM 0 H ARG A 59 -1.613 -6.638 -0.730 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.158 -7.714 0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.800 -7.072 2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.534 -8.192 2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.062 -5.218 1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.938 -6.016 3.387 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.414 -6.882 0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.243 -5.828 2.136 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.685 -8.126 3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.684 -7.310 0.991 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.770 -8.631 1.432 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.720 -9.819 4.039 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.228 -10.043 3.147 1.00 0.00 H new ATOM 811 N ALA A 60 -5.004 -5.321 0.584 1.00 0.00 N ATOM 812 CA ALA A 60 -5.586 -3.993 0.426 1.00 0.00 C ATOM 813 C ALA A 60 -4.933 -3.002 1.388 1.00 0.00 C ATOM 814 O ALA A 60 -4.922 -3.220 2.600 1.00 0.00 O ATOM 815 CB ALA A 60 -7.091 -4.046 0.653 1.00 0.00 C ATOM 0 H ALA A 60 -5.614 -5.991 1.052 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.400 -3.652 -0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.513 -3.048 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.545 -4.722 -0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.294 -4.406 1.662 1.00 0.00 H new ATOM 821 N ARG A 61 -4.392 -1.914 0.843 1.00 0.00 N ATOM 822 CA ARG A 61 -3.729 -0.897 1.654 1.00 0.00 C ATOM 823 C ARG A 61 -4.244 0.502 1.316 1.00 0.00 C ATOM 824 O ARG A 61 -5.142 0.665 0.490 1.00 0.00 O ATOM 825 CB ARG A 61 -2.218 -0.943 1.419 1.00 0.00 C ATOM 826 CG ARG A 61 -1.613 -2.323 1.606 1.00 0.00 C ATOM 827 CD ARG A 61 -1.366 -2.636 3.069 1.00 0.00 C ATOM 828 NE ARG A 61 -0.102 -2.081 3.548 1.00 0.00 N ATOM 829 CZ ARG A 61 0.383 -2.297 4.768 1.00 0.00 C ATOM 830 NH1 ARG A 61 -0.318 -2.996 5.654 1.00 0.00 N ATOM 831 NH2 ARG A 61 1.565 -1.805 5.108 1.00 0.00 N ATOM 0 H ARG A 61 -4.400 -1.715 -0.157 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.950 -1.109 2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.006 -0.597 0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.732 -0.247 2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.280 -3.073 1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.673 -2.385 1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.185 -2.237 3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.363 -3.717 3.212 1.00 0.00 H new ATOM 0 HE ARG A 61 0.439 -1.495 2.912 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.232 -3.370 5.400 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.058 -3.159 6.588 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.104 -1.260 4.434 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.936 -1.971 6.043 1.00 0.00 H new ATOM 845 N CYS A 62 -3.661 1.506 1.967 1.00 0.00 N ATOM 846 CA CYS A 62 -4.026 2.904 1.741 1.00 0.00 C ATOM 847 C CYS A 62 -2.809 3.799 1.991 1.00 0.00 C ATOM 848 O CYS A 62 -2.308 3.856 3.111 1.00 0.00 O ATOM 849 CB CYS A 62 -5.174 3.324 2.662 1.00 0.00 C ATOM 850 SG CYS A 62 -6.755 2.485 2.334 1.00 0.00 S ATOM 0 H CYS A 62 -2.926 1.376 2.662 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.357 3.013 0.708 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.883 3.131 3.695 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.322 4.400 2.568 1.00 0.00 H new ATOM 855 N CYS A 63 -2.340 4.504 0.959 1.00 0.00 N ATOM 856 CA CYS A 63 -1.164 5.363 1.103 1.00 0.00 C ATOM 857 C CYS A 63 -1.462 6.791 0.660 1.00 0.00 C ATOM 858 O CYS A 63 -2.470 7.047 0.002 1.00 0.00 O ATOM 859 CB CYS A 63 -0.008 4.796 0.282 1.00 0.00 C ATOM 860 SG CYS A 63 -0.098 2.997 0.016 1.00 0.00 S ATOM 0 H CYS A 63 -2.751 4.498 0.025 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.889 5.388 2.157 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.015 5.295 -0.687 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.930 5.032 0.784 1.00 0.00 H new ATOM 865 N LYS A 64 -0.578 7.722 1.022 1.00 0.00 N ATOM 866 CA LYS A 64 -0.765 9.127 0.648 1.00 0.00 C ATOM 867 C LYS A 64 -0.041 9.456 -0.663 1.00 0.00 C ATOM 868 O LYS A 64 0.643 8.604 -1.230 1.00 0.00 O ATOM 869 CB LYS A 64 -0.307 10.055 1.791 1.00 0.00 C ATOM 870 CG LYS A 64 0.928 10.906 1.496 1.00 0.00 C ATOM 871 CD LYS A 64 2.200 10.075 1.456 1.00 0.00 C ATOM 872 CE LYS A 64 2.639 9.671 2.849 1.00 0.00 C ATOM 873 NZ LYS A 64 3.993 9.045 2.849 1.00 0.00 N ATOM 0 H LYS A 64 0.264 7.534 1.566 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.829 9.295 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.132 10.720 2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.104 9.445 2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.798 11.414 0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.025 11.680 2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.035 9.183 0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.994 10.645 0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.645 10.548 3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.916 8.971 3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.178 8.617 3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.035 8.309 2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.711 9.771 2.653 1.00 0.00 H new ATOM 887 N ASP A 65 -0.223 10.694 -1.134 1.00 0.00 N ATOM 888 CA ASP A 65 0.403 11.178 -2.369 1.00 0.00 C ATOM 889 C ASP A 65 -0.330 10.659 -3.602 1.00 0.00 C ATOM 890 O ASP A 65 0.120 10.854 -4.731 1.00 0.00 O ATOM 891 CB ASP A 65 1.885 10.789 -2.426 1.00 0.00 C ATOM 892 CG ASP A 65 2.632 11.510 -3.532 1.00 0.00 C ATOM 893 OD1 ASP A 65 3.025 12.676 -3.320 1.00 0.00 O ATOM 894 OD2 ASP A 65 2.823 10.908 -4.610 1.00 0.00 O ATOM 0 H ASP A 65 -0.808 11.389 -0.670 1.00 0.00 H new ATOM 0 HA ASP A 65 0.333 12.266 -2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.354 11.015 -1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.969 9.713 -2.576 1.00 0.00 H new ATOM 899 N ASP A 66 -1.464 10.006 -3.380 1.00 0.00 N ATOM 900 CA ASP A 66 -2.263 9.468 -4.474 1.00 0.00 C ATOM 901 C ASP A 66 -3.660 10.083 -4.482 1.00 0.00 C ATOM 902 O ASP A 66 -4.617 9.471 -4.958 1.00 0.00 O ATOM 903 CB ASP A 66 -2.357 7.946 -4.366 1.00 0.00 C ATOM 904 CG ASP A 66 -2.698 7.483 -2.963 1.00 0.00 C ATOM 905 OD1 ASP A 66 -3.307 8.271 -2.208 1.00 0.00 O ATOM 906 OD2 ASP A 66 -2.358 6.331 -2.619 1.00 0.00 O ATOM 0 H ASP A 66 -1.851 9.836 -2.452 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.770 9.725 -5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.115 7.582 -5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.408 7.504 -4.670 1.00 0.00 H new ATOM 911 N VAL A 67 -3.768 11.300 -3.952 1.00 0.00 N ATOM 912 CA VAL A 67 -5.046 12.001 -3.896 1.00 0.00 C ATOM 913 C VAL A 67 -4.972 13.345 -4.615 1.00 0.00 C ATOM 914 O VAL A 67 -5.852 13.685 -5.406 1.00 0.00 O ATOM 915 CB VAL A 67 -5.492 12.243 -2.440 1.00 0.00 C ATOM 916 CG1 VAL A 67 -6.906 12.804 -2.399 1.00 0.00 C ATOM 917 CG2 VAL A 67 -5.398 10.960 -1.630 1.00 0.00 C ATOM 0 H VAL A 67 -2.985 11.820 -3.556 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.775 11.362 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.821 12.977 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.203 12.968 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.938 13.750 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.592 12.096 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.717 11.152 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.042 10.201 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.367 10.605 -1.628 1.00 0.00 H new ATOM 927 N THR A 68 -3.917 14.104 -4.331 1.00 0.00 N ATOM 928 CA THR A 68 -3.724 15.417 -4.942 1.00 0.00 C ATOM 929 C THR A 68 -3.680 15.333 -6.466 1.00 0.00 C ATOM 930 O THR A 68 -3.776 16.349 -7.154 1.00 0.00 O ATOM 931 CB THR A 68 -2.430 16.093 -4.439 1.00 0.00 C ATOM 932 OG1 THR A 68 -2.390 17.455 -4.880 1.00 0.00 O ATOM 933 CG2 THR A 68 -1.192 15.362 -4.945 1.00 0.00 C ATOM 0 H THR A 68 -3.181 13.832 -3.680 1.00 0.00 H new ATOM 0 HA THR A 68 -4.582 16.020 -4.645 1.00 0.00 H new ATOM 0 HB THR A 68 -2.432 16.055 -3.350 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.945 17.556 -5.681 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.297 15.862 -4.574 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.206 14.332 -4.588 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.186 15.369 -6.035 1.00 0.00 H new ATOM 941 N ASN A 69 -3.532 14.119 -6.988 1.00 0.00 N ATOM 942 CA ASN A 69 -3.474 13.913 -8.431 1.00 0.00 C ATOM 943 C ASN A 69 -3.958 12.516 -8.800 1.00 0.00 C ATOM 944 O ASN A 69 -3.295 11.520 -8.513 1.00 0.00 O ATOM 945 CB ASN A 69 -2.047 14.125 -8.940 1.00 0.00 C ATOM 946 CG ASN A 69 -1.957 14.048 -10.452 1.00 0.00 C ATOM 947 OD1 ASN A 69 -1.725 12.980 -11.019 1.00 0.00 O ATOM 948 ND2 ASN A 69 -2.141 15.184 -11.115 1.00 0.00 N ATOM 0 H ASN A 69 -3.450 13.266 -6.435 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.132 14.641 -8.905 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.685 15.097 -8.606 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.392 13.373 -8.501 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.092 15.194 -12.134 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.331 16.047 -10.605 1.00 0.00 H new ATOM 955 N THR A 70 -5.124 12.454 -9.435 1.00 0.00 N ATOM 956 CA THR A 70 -5.705 11.180 -9.849 1.00 0.00 C ATOM 957 C THR A 70 -4.766 10.427 -10.786 1.00 0.00 C ATOM 958 O THR A 70 -4.791 9.198 -10.849 1.00 0.00 O ATOM 959 CB THR A 70 -7.060 11.376 -10.557 1.00 0.00 C ATOM 960 OG1 THR A 70 -7.889 12.260 -9.793 1.00 0.00 O ATOM 961 CG2 THR A 70 -7.772 10.043 -10.738 1.00 0.00 C ATOM 0 H THR A 70 -5.686 13.271 -9.675 1.00 0.00 H new ATOM 0 HA THR A 70 -5.860 10.598 -8.940 1.00 0.00 H new ATOM 0 HB THR A 70 -6.872 11.810 -11.539 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.747 12.381 -10.250 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.726 10.205 -11.240 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.153 9.379 -11.341 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.948 9.589 -9.763 1.00 0.00 H new ATOM 969 N GLY A 71 -3.940 11.174 -11.515 1.00 0.00 N ATOM 970 CA GLY A 71 -3.005 10.559 -12.439 1.00 0.00 C ATOM 971 C GLY A 71 -1.976 9.699 -11.734 1.00 0.00 C ATOM 972 O GLY A 71 -1.395 8.795 -12.335 1.00 0.00 O ATOM 0 H GLY A 71 -3.902 12.193 -11.482 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.555 9.949 -13.155 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.496 11.337 -13.008 1.00 0.00 H new ATOM 976 N ASN A 72 -1.750 9.983 -10.456 1.00 0.00 N ATOM 977 CA ASN A 72 -0.786 9.229 -9.663 1.00 0.00 C ATOM 978 C ASN A 72 -1.365 7.884 -9.237 1.00 0.00 C ATOM 979 O ASN A 72 -1.780 7.709 -8.090 1.00 0.00 O ATOM 980 CB ASN A 72 -0.369 10.031 -8.429 1.00 0.00 C ATOM 981 CG ASN A 72 0.502 11.223 -8.779 1.00 0.00 C ATOM 982 OD1 ASN A 72 0.380 11.801 -9.858 1.00 0.00 O ATOM 983 ND2 ASN A 72 1.389 11.596 -7.863 1.00 0.00 N ATOM 0 H ASN A 72 -2.222 10.730 -9.947 1.00 0.00 H new ATOM 0 HA ASN A 72 0.092 9.047 -10.283 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.261 10.377 -7.906 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.171 9.380 -7.742 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.003 12.391 -8.041 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.456 11.088 -6.981 1.00 0.00 H new ATOM 990 N SER A 73 -1.392 6.935 -10.168 1.00 0.00 N ATOM 991 CA SER A 73 -1.917 5.604 -9.890 1.00 0.00 C ATOM 992 C SER A 73 -0.893 4.769 -9.128 1.00 0.00 C ATOM 993 O SER A 73 -1.151 4.319 -8.011 1.00 0.00 O ATOM 994 CB SER A 73 -2.301 4.902 -11.194 1.00 0.00 C ATOM 995 OG SER A 73 -2.797 3.599 -10.946 1.00 0.00 O ATOM 0 H SER A 73 -1.056 7.064 -11.122 1.00 0.00 H new ATOM 0 HA SER A 73 -2.807 5.710 -9.270 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.056 5.488 -11.717 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.432 4.845 -11.849 1.00 0.00 H new ATOM 0 HG SER A 73 -3.037 3.173 -11.795 1.00 0.00 H new ATOM 1001 N PHE A 74 0.269 4.568 -9.740 1.00 0.00 N ATOM 1002 CA PHE A 74 1.337 3.787 -9.122 1.00 0.00 C ATOM 1003 C PHE A 74 2.405 4.701 -8.523 1.00 0.00 C ATOM 1004 O PHE A 74 2.932 5.580 -9.205 1.00 0.00 O ATOM 1005 CB PHE A 74 1.966 2.837 -10.152 1.00 0.00 C ATOM 1006 CG PHE A 74 3.351 2.380 -9.787 1.00 0.00 C ATOM 1007 CD1 PHE A 74 3.567 1.623 -8.646 1.00 0.00 C ATOM 1008 CD2 PHE A 74 4.435 2.713 -10.582 1.00 0.00 C ATOM 1009 CE1 PHE A 74 4.839 1.207 -8.306 1.00 0.00 C ATOM 1010 CE2 PHE A 74 5.710 2.299 -10.247 1.00 0.00 C ATOM 1011 CZ PHE A 74 5.912 1.546 -9.108 1.00 0.00 C ATOM 0 H PHE A 74 0.496 4.935 -10.664 1.00 0.00 H new ATOM 0 HA PHE A 74 0.904 3.196 -8.315 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.324 1.964 -10.267 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.001 3.337 -11.120 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.731 1.356 -8.016 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.282 3.303 -11.474 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.995 0.618 -7.415 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.547 2.564 -10.875 1.00 0.00 H new ATOM 0 HZ PHE A 74 6.908 1.222 -8.844 1.00 0.00 H new ATOM 1021 N LEU A 75 2.724 4.487 -7.244 1.00 0.00 N ATOM 1022 CA LEU A 75 3.728 5.298 -6.566 1.00 0.00 C ATOM 1023 C LEU A 75 4.676 4.431 -5.742 1.00 0.00 C ATOM 1024 O LEU A 75 4.355 3.294 -5.395 1.00 0.00 O ATOM 1025 CB LEU A 75 3.058 6.328 -5.652 1.00 0.00 C ATOM 1026 CG LEU A 75 1.991 7.198 -6.323 1.00 0.00 C ATOM 1027 CD1 LEU A 75 1.260 8.037 -5.285 1.00 0.00 C ATOM 1028 CD2 LEU A 75 2.621 8.091 -7.382 1.00 0.00 C ATOM 0 H LEU A 75 2.302 3.762 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 75 4.305 5.814 -7.333 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.601 5.803 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.828 6.979 -5.239 1.00 0.00 H new ATOM 0 HG LEU A 75 1.268 6.544 -6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.505 8.649 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.778 7.381 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.973 8.683 -4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.849 8.702 -7.849 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.364 8.738 -6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.102 7.473 -8.140 1.00 0.00 H new ATOM 1040 N ILE A 76 5.844 4.984 -5.438 1.00 0.00 N ATOM 1041 CA ILE A 76 6.846 4.291 -4.639 1.00 0.00 C ATOM 1042 C ILE A 76 6.943 4.951 -3.272 1.00 0.00 C ATOM 1043 O ILE A 76 7.576 5.995 -3.123 1.00 0.00 O ATOM 1044 CB ILE A 76 8.234 4.315 -5.316 1.00 0.00 C ATOM 1045 CG1 ILE A 76 8.144 3.721 -6.724 1.00 0.00 C ATOM 1046 CG2 ILE A 76 9.247 3.551 -4.472 1.00 0.00 C ATOM 1047 CD1 ILE A 76 9.435 3.816 -7.512 1.00 0.00 C ATOM 0 H ILE A 76 6.122 5.919 -5.736 1.00 0.00 H new ATOM 0 HA ILE A 76 6.537 3.250 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 76 8.569 5.349 -5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.852 2.674 -6.648 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.355 4.233 -7.274 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.221 3.576 -4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.323 4.013 -3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.923 2.516 -4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 76 9.293 3.375 -8.498 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.719 4.863 -7.620 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.223 3.279 -6.985 1.00 0.00 H new ATOM 1059 N ILE A 77 6.312 4.341 -2.277 1.00 0.00 N ATOM 1060 CA ILE A 77 6.304 4.906 -0.936 1.00 0.00 C ATOM 1061 C ILE A 77 6.710 3.896 0.129 1.00 0.00 C ATOM 1062 O ILE A 77 6.759 2.692 -0.118 1.00 0.00 O ATOM 1063 CB ILE A 77 4.914 5.475 -0.594 1.00 0.00 C ATOM 1064 CG1 ILE A 77 3.814 4.535 -1.132 1.00 0.00 C ATOM 1065 CG2 ILE A 77 4.777 6.889 -1.148 1.00 0.00 C ATOM 1066 CD1 ILE A 77 2.719 5.221 -1.929 1.00 0.00 C ATOM 0 H ILE A 77 5.803 3.462 -2.372 1.00 0.00 H new ATOM 0 HA ILE A 77 7.044 5.707 -0.936 1.00 0.00 H new ATOM 0 HB ILE A 77 4.798 5.534 0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.280 3.777 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.358 4.014 -0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.791 7.283 -0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.543 7.528 -0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.899 6.869 -2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.994 4.479 -2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.220 5.959 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.156 5.718 -2.795 1.00 0.00 H new ATOM 1078 N ASN A 78 6.996 4.414 1.319 1.00 0.00 N ATOM 1079 CA ASN A 78 7.412 3.592 2.447 1.00 0.00 C ATOM 1080 C ASN A 78 6.251 2.752 2.971 1.00 0.00 C ATOM 1081 O ASN A 78 5.084 3.102 2.788 1.00 0.00 O ATOM 1082 CB ASN A 78 7.957 4.487 3.562 1.00 0.00 C ATOM 1083 CG ASN A 78 8.856 3.733 4.523 1.00 0.00 C ATOM 1084 OD1 ASN A 78 9.454 2.719 4.165 1.00 0.00 O ATOM 1085 ND2 ASN A 78 8.965 4.230 5.749 1.00 0.00 N ATOM 0 H ASN A 78 6.946 5.411 1.527 1.00 0.00 H new ATOM 0 HA ASN A 78 8.195 2.913 2.109 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.514 5.314 3.121 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.124 4.923 4.114 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.562 3.769 6.435 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.452 5.073 6.005 1.00 0.00 H new ATOM 1092 N ALA A 79 6.582 1.642 3.626 1.00 0.00 N ATOM 1093 CA ALA A 79 5.575 0.746 4.180 1.00 0.00 C ATOM 1094 C ALA A 79 4.815 1.413 5.319 1.00 0.00 C ATOM 1095 O ALA A 79 3.780 0.915 5.763 1.00 0.00 O ATOM 1096 CB ALA A 79 6.220 -0.543 4.663 1.00 0.00 C ATOM 0 H ALA A 79 7.544 1.342 3.786 1.00 0.00 H new ATOM 0 HA ALA A 79 4.864 0.510 3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.454 -1.201 5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.714 -1.038 3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.955 -0.315 5.435 1.00 0.00 H new ATOM 1102 N ALA A 80 5.337 2.539 5.793 1.00 0.00 N ATOM 1103 CA ALA A 80 4.704 3.273 6.880 1.00 0.00 C ATOM 1104 C ALA A 80 3.569 4.146 6.362 1.00 0.00 C ATOM 1105 O ALA A 80 2.649 4.487 7.106 1.00 0.00 O ATOM 1106 CB ALA A 80 5.729 4.119 7.618 1.00 0.00 C ATOM 0 H ALA A 80 6.196 2.962 5.441 1.00 0.00 H new ATOM 0 HA ALA A 80 4.283 2.548 7.576 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.239 4.661 8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.504 3.473 8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.180 4.830 6.926 1.00 0.00 H new ATOM 1112 N ASN A 81 3.637 4.507 5.083 1.00 0.00 N ATOM 1113 CA ASN A 81 2.606 5.340 4.481 1.00 0.00 C ATOM 1114 C ASN A 81 1.340 4.542 4.220 1.00 0.00 C ATOM 1115 O ASN A 81 0.237 5.084 4.257 1.00 0.00 O ATOM 1116 CB ASN A 81 3.084 5.965 3.164 1.00 0.00 C ATOM 1117 CG ASN A 81 1.971 6.684 2.443 1.00 0.00 C ATOM 1118 OD1 ASN A 81 1.000 7.178 3.207 1.00 0.00 O flip ATOM 1119 ND2 ASN A 81 1.986 6.805 1.218 1.00 0.00 N flip ATOM 0 H ASN A 81 4.390 4.237 4.450 1.00 0.00 H new ATOM 0 HA ASN A 81 2.391 6.137 5.193 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.895 6.664 3.368 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.490 5.186 2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.753 6.408 0.676 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.231 7.302 0.745 1.00 0.00 H new ATOM 1126 N CYS A 82 1.487 3.254 3.970 1.00 0.00 N ATOM 1127 CA CYS A 82 0.333 2.430 3.681 1.00 0.00 C ATOM 1128 C CYS A 82 -0.089 1.630 4.911 1.00 0.00 C ATOM 1129 O CYS A 82 0.497 0.593 5.217 1.00 0.00 O ATOM 1130 CB CYS A 82 0.649 1.475 2.528 1.00 0.00 C ATOM 1131 SG CYS A 82 1.453 2.274 1.102 1.00 0.00 S ATOM 0 H CYS A 82 2.381 2.763 3.961 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.490 3.085 3.396 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.295 0.678 2.897 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.277 1.006 2.194 1.00 0.00 H new ATOM 1136 N GLN A 83 -1.102 2.120 5.614 1.00 0.00 N ATOM 1137 CA GLN A 83 -1.608 1.437 6.801 1.00 0.00 C ATOM 1138 C GLN A 83 -2.917 0.723 6.492 1.00 0.00 C ATOM 1139 O GLN A 83 -3.787 1.253 5.801 1.00 0.00 O ATOM 1140 CB GLN A 83 -1.806 2.441 7.960 1.00 0.00 C ATOM 1141 CG GLN A 83 -2.721 1.939 9.068 1.00 0.00 C ATOM 1142 CD GLN A 83 -2.111 0.799 9.862 1.00 0.00 C ATOM 1143 OE1 GLN A 83 -2.297 -0.373 9.537 1.00 0.00 O ATOM 1144 NE2 GLN A 83 -1.375 1.138 10.915 1.00 0.00 N ATOM 0 H GLN A 83 -1.590 2.986 5.385 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.872 0.693 7.107 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.833 2.682 8.388 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.215 3.368 7.558 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.953 2.763 9.743 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.664 1.609 8.633 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -1.245 2.122 11.151 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.940 0.414 11.487 1.00 0.00 H new ATOM 1153 N THR A 84 -3.036 -0.490 7.019 1.00 0.00 N ATOM 1154 CA THR A 84 -4.225 -1.311 6.819 1.00 0.00 C ATOM 1155 C THR A 84 -5.496 -0.541 7.188 1.00 0.00 C ATOM 1156 O THR A 84 -5.566 0.062 8.258 1.00 0.00 O ATOM 1157 CB THR A 84 -4.163 -2.602 7.656 1.00 0.00 C ATOM 1158 OG1 THR A 84 -2.799 -2.983 7.869 1.00 0.00 O ATOM 1159 CG2 THR A 84 -4.900 -3.734 6.956 1.00 0.00 C ATOM 0 H THR A 84 -2.317 -0.930 7.593 1.00 0.00 H new ATOM 0 HA THR A 84 -4.254 -1.572 5.761 1.00 0.00 H new ATOM 0 HB THR A 84 -4.643 -2.409 8.615 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.768 -3.804 8.403 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.843 -4.636 7.565 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.945 -3.456 6.815 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.441 -3.922 5.985 1.00 0.00 H new ATOM 1167 N PRO A 85 -6.522 -0.551 6.309 1.00 0.00 N ATOM 1168 CA PRO A 85 -7.781 0.159 6.565 1.00 0.00 C ATOM 1169 C PRO A 85 -8.471 -0.314 7.841 1.00 0.00 C ATOM 1170 O PRO A 85 -8.435 -1.497 8.178 1.00 0.00 O ATOM 1171 CB PRO A 85 -8.649 -0.165 5.342 1.00 0.00 C ATOM 1172 CG PRO A 85 -8.004 -1.339 4.690 1.00 0.00 C ATOM 1173 CD PRO A 85 -6.540 -1.245 5.007 1.00 0.00 C ATOM 0 HA PRO A 85 -7.611 1.226 6.709 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.673 -0.395 5.638 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.697 0.684 4.660 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.424 -2.272 5.066 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.170 -1.326 3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.077 -2.230 5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.998 -0.685 4.245 1.00 0.00 H new ATOM 1181 N ALA A 86 -9.104 0.623 8.548 1.00 0.00 N ATOM 1182 CA ALA A 86 -9.808 0.306 9.784 1.00 0.00 C ATOM 1183 C ALA A 86 -11.061 -0.517 9.499 1.00 0.00 C ATOM 1184 O ALA A 86 -11.870 -0.155 8.643 1.00 0.00 O ATOM 1185 CB ALA A 86 -10.172 1.585 10.523 1.00 0.00 C ATOM 0 H ALA A 86 -9.142 1.607 8.283 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.146 -0.289 10.414 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.698 1.336 11.445 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.264 2.138 10.761 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.816 2.199 9.893 1.00 0.00 H new ATOM 1191 N GLY A 87 -11.217 -1.623 10.219 1.00 0.00 N ATOM 1192 CA GLY A 87 -12.372 -2.480 10.024 1.00 0.00 C ATOM 1193 C GLY A 87 -12.093 -3.619 9.059 1.00 0.00 C ATOM 1194 O GLY A 87 -12.827 -4.606 9.026 1.00 0.00 O ATOM 0 H GLY A 87 -10.564 -1.941 10.935 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -12.683 -2.890 10.985 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -13.203 -1.884 9.647 1.00 0.00 H new ATOM 1198 N LEU A 88 -11.027 -3.479 8.271 1.00 0.00 N ATOM 1199 CA LEU A 88 -10.648 -4.504 7.306 1.00 0.00 C ATOM 1200 C LEU A 88 -9.679 -5.504 7.929 1.00 0.00 C ATOM 1201 O LEU A 88 -8.540 -5.103 8.252 1.00 0.00 O ATOM 1202 CB LEU A 88 -10.028 -3.865 6.068 1.00 0.00 C ATOM 1203 CG LEU A 88 -9.514 -4.848 5.031 1.00 0.00 C ATOM 1204 CD1 LEU A 88 -9.792 -4.286 3.671 1.00 0.00 C ATOM 1205 CD2 LEU A 88 -8.026 -5.109 5.212 1.00 0.00 C ATOM 1206 OXT LEU A 88 -10.068 -6.680 8.089 1.00 0.00 O ATOM 0 H LEU A 88 -10.412 -2.665 8.284 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.548 -5.041 7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -10.771 -3.220 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -9.203 -3.225 6.382 1.00 0.00 H new ATOM 0 HG LEU A 88 -10.024 -5.804 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -9.430 -4.978 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -10.866 -4.142 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -9.283 -3.328 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.686 -5.816 4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.477 -4.173 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.847 -5.525 6.204 1.00 0.00 H new TER 1218 LEU A 88