USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=20 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 64 LYS NZ :NH3+ -167:sc= -1.17 (180deg=-0.68) USER MOD Set 1.2: A 81 ASN : amide:sc= -11! C(o=-12!,f=-19!) USER MOD Set 2.1: A 18 TYR OH : rot -126:sc= 0.891 USER MOD Set 2.2: A 83 GLN : amide:sc= -0.287 X(o=0.6,f=0.75) USER MOD Single : A 1 SER N :NH3+ -155:sc= 0 (180deg=-0.182) 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= -0.876 K(o=-0.88,f=-5.3!) USER MOD Single : A 11 TYR OH : rot -174:sc= 0.0511 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 20 THR OG1 : rot 63:sc= 0.0541 USER MOD Single : A 22 GLN :FLIP amide:sc= -1.12 F(o=-2.3,f=-1.1) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= 0.187 F(o=-7!,f=0.19) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.934 F(o=-7.7!,f=-0.93) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 51 SER OG : rot 88:sc= 1.16 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -5.37! C(o=-5.4!,f=-7!) USER MOD Single : A 68 THR OG1 : rot -36:sc= 0.219 USER MOD Single : A 69 ASN : amide:sc= -0.428 K(o=-0.43,f=-1.5) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -2.24! X(o=-2.2!,f=-2.4) USER MOD Single : A 73 SER OG : rot 61:sc= 0.00565 USER MOD Single : A 78 ASN : amide:sc= -0.424 K(o=-0.42,f=-2.1!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0906 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -34.449 -13.494 0.234 1.00 0.00 N ATOM 2 CA SER A 1 -34.915 -12.103 0.472 1.00 0.00 C ATOM 3 C SER A 1 -33.936 -11.090 -0.121 1.00 0.00 C ATOM 4 O SER A 1 -33.108 -10.528 0.595 1.00 0.00 O ATOM 5 CB SER A 1 -35.077 -11.852 1.973 1.00 0.00 C ATOM 6 OG SER A 1 -36.026 -12.738 2.540 1.00 0.00 O ATOM 0 H1 SER A 1 -35.264 -14.140 0.244 1.00 0.00 H new ATOM 0 H2 SER A 1 -33.975 -13.548 -0.690 1.00 0.00 H new ATOM 0 H3 SER A 1 -33.781 -13.769 0.982 1.00 0.00 H new ATOM 0 HA SER A 1 -35.880 -11.979 -0.020 1.00 0.00 H new ATOM 0 HB2 SER A 1 -34.116 -11.977 2.471 1.00 0.00 H new ATOM 0 HB3 SER A 1 -35.391 -10.822 2.141 1.00 0.00 H new ATOM 0 HG SER A 1 -36.109 -12.558 3.500 1.00 0.00 H new ATOM 14 N PRO A 2 -34.014 -10.850 -1.444 1.00 0.00 N ATOM 15 CA PRO A 2 -33.135 -9.900 -2.125 1.00 0.00 C ATOM 16 C PRO A 2 -33.579 -8.455 -1.937 1.00 0.00 C ATOM 17 O PRO A 2 -33.871 -7.755 -2.908 1.00 0.00 O ATOM 18 CB PRO A 2 -33.261 -10.310 -3.591 1.00 0.00 C ATOM 19 CG PRO A 2 -34.649 -10.838 -3.705 1.00 0.00 C ATOM 20 CD PRO A 2 -34.962 -11.489 -2.381 1.00 0.00 C ATOM 0 HA PRO A 2 -32.117 -9.932 -1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -33.102 -9.462 -4.257 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -32.524 -11.067 -3.857 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -35.354 -10.035 -3.920 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -34.726 -11.557 -4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -35.996 -11.316 -2.084 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -34.818 -12.569 -2.422 1.00 0.00 H new ATOM 28 N ALA A 3 -33.631 -8.012 -0.686 1.00 0.00 N ATOM 29 CA ALA A 3 -34.020 -6.643 -0.389 1.00 0.00 C ATOM 30 C ALA A 3 -32.976 -5.688 -0.945 1.00 0.00 C ATOM 31 O ALA A 3 -33.194 -4.480 -1.033 1.00 0.00 O ATOM 32 CB ALA A 3 -34.185 -6.447 1.111 1.00 0.00 C ATOM 0 H ALA A 3 -33.410 -8.579 0.133 1.00 0.00 H new ATOM 0 HA ALA A 3 -34.980 -6.433 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -34.476 -5.416 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -34.956 -7.122 1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -33.241 -6.662 1.612 1.00 0.00 H new ATOM 38 N ALA A 4 -31.836 -6.258 -1.322 1.00 0.00 N ATOM 39 CA ALA A 4 -30.737 -5.498 -1.891 1.00 0.00 C ATOM 40 C ALA A 4 -30.796 -5.545 -3.410 1.00 0.00 C ATOM 41 O ALA A 4 -29.782 -5.396 -4.091 1.00 0.00 O ATOM 42 CB ALA A 4 -29.412 -6.050 -1.392 1.00 0.00 C ATOM 0 H ALA A 4 -31.652 -7.258 -1.240 1.00 0.00 H new ATOM 0 HA ALA A 4 -30.824 -4.458 -1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -28.593 -5.475 -1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -29.374 -5.977 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -29.318 -7.094 -1.689 1.00 0.00 H new ATOM 48 N MET A 5 -32.001 -5.761 -3.926 1.00 0.00 N ATOM 49 CA MET A 5 -32.227 -5.837 -5.362 1.00 0.00 C ATOM 50 C MET A 5 -31.637 -4.626 -6.072 1.00 0.00 C ATOM 51 O MET A 5 -30.653 -4.738 -6.805 1.00 0.00 O ATOM 52 CB MET A 5 -33.724 -5.918 -5.640 1.00 0.00 C ATOM 53 CG MET A 5 -34.060 -6.403 -7.041 1.00 0.00 C ATOM 54 SD MET A 5 -35.838 -6.505 -7.330 1.00 0.00 S ATOM 55 CE MET A 5 -35.874 -7.089 -9.023 1.00 0.00 C ATOM 0 H MET A 5 -32.843 -5.887 -3.364 1.00 0.00 H new ATOM 0 HA MET A 5 -31.733 -6.731 -5.742 1.00 0.00 H new ATOM 0 HB2 MET A 5 -34.184 -6.588 -4.913 1.00 0.00 H new ATOM 0 HB3 MET A 5 -34.166 -4.933 -5.490 1.00 0.00 H new ATOM 0 HG2 MET A 5 -33.615 -5.728 -7.772 1.00 0.00 H new ATOM 0 HG3 MET A 5 -33.613 -7.384 -7.199 1.00 0.00 H new ATOM 0 HE1 MET A 5 -36.909 -7.202 -9.347 1.00 0.00 H new ATOM 0 HE2 MET A 5 -35.369 -6.369 -9.667 1.00 0.00 H new ATOM 0 HE3 MET A 5 -35.367 -8.052 -9.087 1.00 0.00 H new ATOM 65 N GLU A 6 -32.248 -3.467 -5.850 1.00 0.00 N ATOM 66 CA GLU A 6 -31.788 -2.230 -6.463 1.00 0.00 C ATOM 67 C GLU A 6 -31.056 -1.359 -5.446 1.00 0.00 C ATOM 68 O GLU A 6 -30.809 -0.177 -5.689 1.00 0.00 O ATOM 69 CB GLU A 6 -32.972 -1.460 -7.052 1.00 0.00 C ATOM 70 CG GLU A 6 -33.786 -2.266 -8.051 1.00 0.00 C ATOM 71 CD GLU A 6 -34.964 -1.488 -8.605 1.00 0.00 C ATOM 72 OE1 GLU A 6 -36.037 -1.502 -7.966 1.00 0.00 O ATOM 73 OE2 GLU A 6 -34.813 -0.866 -9.678 1.00 0.00 O ATOM 0 H GLU A 6 -33.065 -3.360 -5.248 1.00 0.00 H new ATOM 0 HA GLU A 6 -31.093 -2.485 -7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -33.624 -1.137 -6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -32.602 -0.559 -7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -33.141 -2.577 -8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -34.149 -3.174 -7.570 1.00 0.00 H new ATOM 80 N ARG A 7 -30.710 -1.953 -4.308 1.00 0.00 N ATOM 81 CA ARG A 7 -30.008 -1.226 -3.248 1.00 0.00 C ATOM 82 C ARG A 7 -28.554 -1.674 -3.149 1.00 0.00 C ATOM 83 O ARG A 7 -28.255 -2.868 -3.213 1.00 0.00 O ATOM 84 CB ARG A 7 -30.710 -1.428 -1.899 1.00 0.00 C ATOM 85 CG ARG A 7 -32.205 -1.153 -1.945 1.00 0.00 C ATOM 86 CD ARG A 7 -32.856 -1.364 -0.587 1.00 0.00 C ATOM 87 NE ARG A 7 -34.315 -1.368 -0.677 1.00 0.00 N ATOM 88 CZ ARG A 7 -35.120 -1.246 0.374 1.00 0.00 C ATOM 89 NH1 ARG A 7 -34.614 -1.092 1.589 1.00 0.00 N ATOM 90 NH2 ARG A 7 -36.436 -1.272 0.207 1.00 0.00 N ATOM 0 H ARG A 7 -30.902 -2.932 -4.094 1.00 0.00 H new ATOM 0 HA ARG A 7 -30.027 -0.166 -3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -30.547 -2.452 -1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -30.251 -0.773 -1.158 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -32.377 -0.129 -2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -32.673 -1.808 -2.679 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -32.516 -2.309 -0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -32.536 -0.576 0.095 1.00 0.00 H new ATOM 0 HE ARG A 7 -34.740 -1.470 -1.599 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -33.603 -1.067 1.721 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -35.236 -0.999 2.392 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -36.829 -1.386 -0.727 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -37.054 -1.178 1.013 1.00 0.00 H new ATOM 104 N GLN A 8 -27.653 -0.709 -2.993 1.00 0.00 N ATOM 105 CA GLN A 8 -26.225 -1.001 -2.885 1.00 0.00 C ATOM 106 C GLN A 8 -25.685 -0.564 -1.527 1.00 0.00 C ATOM 107 O GLN A 8 -26.095 0.464 -0.989 1.00 0.00 O ATOM 108 CB GLN A 8 -25.447 -0.304 -4.006 1.00 0.00 C ATOM 109 CG GLN A 8 -25.835 -0.768 -5.402 1.00 0.00 C ATOM 110 CD GLN A 8 -25.343 -2.169 -5.715 1.00 0.00 C ATOM 111 OE1 GLN A 8 -25.205 -3.008 -4.825 1.00 0.00 O ATOM 112 NE2 GLN A 8 -25.072 -2.429 -6.989 1.00 0.00 N ATOM 0 H GLN A 8 -27.885 0.283 -2.938 1.00 0.00 H new ATOM 0 HA GLN A 8 -26.093 -2.079 -2.982 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -25.608 0.772 -3.933 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -24.381 -0.478 -3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -26.920 -0.739 -5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -25.429 -0.073 -6.137 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -25.200 -1.705 -7.696 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -24.736 -3.353 -7.261 1.00 0.00 H new ATOM 121 N VAL A 9 -24.763 -1.351 -0.981 1.00 0.00 N ATOM 122 CA VAL A 9 -24.169 -1.047 0.318 1.00 0.00 C ATOM 123 C VAL A 9 -22.884 -0.231 0.158 1.00 0.00 C ATOM 124 O VAL A 9 -21.872 -0.752 -0.312 1.00 0.00 O ATOM 125 CB VAL A 9 -23.849 -2.336 1.103 1.00 0.00 C ATOM 126 CG1 VAL A 9 -23.347 -2.012 2.503 1.00 0.00 C ATOM 127 CG2 VAL A 9 -25.068 -3.243 1.164 1.00 0.00 C ATOM 0 H VAL A 9 -24.411 -2.203 -1.417 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.902 -0.462 0.874 1.00 0.00 H new ATOM 0 HB VAL A 9 -23.055 -2.864 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -23.129 -2.938 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.440 -1.411 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.112 -1.455 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -24.822 -4.147 1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -25.885 -2.721 1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -25.372 -3.513 0.153 1.00 0.00 H new ATOM 137 N PRO A 10 -22.902 1.060 0.544 1.00 0.00 N ATOM 138 CA PRO A 10 -21.726 1.928 0.438 1.00 0.00 C ATOM 139 C PRO A 10 -20.577 1.447 1.319 1.00 0.00 C ATOM 140 O PRO A 10 -20.786 1.040 2.462 1.00 0.00 O ATOM 141 CB PRO A 10 -22.228 3.297 0.917 1.00 0.00 C ATOM 142 CG PRO A 10 -23.715 3.216 0.850 1.00 0.00 C ATOM 143 CD PRO A 10 -24.059 1.779 1.106 1.00 0.00 C ATOM 0 HA PRO A 10 -21.329 1.944 -0.577 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -21.891 3.506 1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -21.849 4.099 0.283 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -24.176 3.867 1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -24.080 3.538 -0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -24.183 1.576 2.170 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -24.990 1.493 0.616 1.00 0.00 H new ATOM 151 N TYR A 11 -19.365 1.498 0.777 1.00 0.00 N ATOM 152 CA TYR A 11 -18.179 1.065 1.508 1.00 0.00 C ATOM 153 C TYR A 11 -16.970 1.914 1.132 1.00 0.00 C ATOM 154 O TYR A 11 -16.514 1.890 -0.012 1.00 0.00 O ATOM 155 CB TYR A 11 -17.890 -0.416 1.223 1.00 0.00 C ATOM 156 CG TYR A 11 -16.498 -0.858 1.630 1.00 0.00 C ATOM 157 CD1 TYR A 11 -16.185 -1.110 2.962 1.00 0.00 C ATOM 158 CD2 TYR A 11 -15.498 -1.025 0.679 1.00 0.00 C ATOM 159 CE1 TYR A 11 -14.914 -1.514 3.333 1.00 0.00 C ATOM 160 CE2 TYR A 11 -14.227 -1.430 1.043 1.00 0.00 C ATOM 161 CZ TYR A 11 -13.941 -1.672 2.370 1.00 0.00 C ATOM 162 OH TYR A 11 -12.677 -2.073 2.734 1.00 0.00 O ATOM 0 H TYR A 11 -19.178 1.835 -0.167 1.00 0.00 H new ATOM 0 HA TYR A 11 -18.371 1.191 2.573 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -18.623 -1.027 1.749 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -18.024 -0.604 0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -16.946 -0.988 3.719 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -15.717 -0.835 -0.361 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.686 -1.704 4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.462 -1.556 0.291 1.00 0.00 H new ATOM 0 HH TYR A 11 -12.087 -2.044 1.952 1.00 0.00 H new ATOM 172 N THR A 12 -16.457 2.663 2.101 1.00 0.00 N ATOM 173 CA THR A 12 -15.294 3.509 1.878 1.00 0.00 C ATOM 174 C THR A 12 -14.102 3.017 2.689 1.00 0.00 C ATOM 175 O THR A 12 -14.170 2.956 3.917 1.00 0.00 O ATOM 176 CB THR A 12 -15.569 4.976 2.259 1.00 0.00 C ATOM 177 OG1 THR A 12 -16.420 5.588 1.281 1.00 0.00 O ATOM 178 CG2 THR A 12 -14.266 5.762 2.372 1.00 0.00 C ATOM 0 H THR A 12 -16.830 2.701 3.050 1.00 0.00 H new ATOM 0 HA THR A 12 -15.071 3.454 0.812 1.00 0.00 H new ATOM 0 HB THR A 12 -16.066 4.988 3.229 1.00 0.00 H new ATOM 0 HG1 THR A 12 -16.590 6.520 1.533 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.486 6.795 2.642 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.636 5.313 3.140 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.744 5.740 1.415 1.00 0.00 H new ATOM 186 N PRO A 13 -12.990 2.657 2.025 1.00 0.00 N ATOM 187 CA PRO A 13 -11.801 2.194 2.698 1.00 0.00 C ATOM 188 C PRO A 13 -10.788 3.315 2.883 1.00 0.00 C ATOM 189 O PRO A 13 -10.162 3.766 1.924 1.00 0.00 O ATOM 190 CB PRO A 13 -11.278 1.139 1.728 1.00 0.00 C ATOM 191 CG PRO A 13 -11.745 1.577 0.369 1.00 0.00 C ATOM 192 CD PRO A 13 -12.795 2.649 0.573 1.00 0.00 C ATOM 0 HA PRO A 13 -11.990 1.819 3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.191 1.074 1.767 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.665 0.151 1.977 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.911 1.964 -0.217 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.160 0.734 -0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.457 3.618 0.207 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.719 2.413 0.044 1.00 0.00 H new ATOM 200 N CYS A 14 -10.653 3.765 4.127 1.00 0.00 N ATOM 201 CA CYS A 14 -9.713 4.827 4.482 1.00 0.00 C ATOM 202 C CYS A 14 -10.187 6.179 3.960 1.00 0.00 C ATOM 203 O CYS A 14 -10.733 6.276 2.861 1.00 0.00 O ATOM 204 CB CYS A 14 -8.319 4.515 3.933 1.00 0.00 C ATOM 205 SG CYS A 14 -7.818 2.776 4.135 1.00 0.00 S ATOM 0 H CYS A 14 -11.190 3.406 4.916 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.664 4.877 5.570 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.291 4.770 2.874 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.591 5.153 4.434 1.00 0.00 H new ATOM 210 N SER A 15 -9.975 7.220 4.760 1.00 0.00 N ATOM 211 CA SER A 15 -10.379 8.570 4.383 1.00 0.00 C ATOM 212 C SER A 15 -9.705 9.610 5.273 1.00 0.00 C ATOM 213 O SER A 15 -9.559 9.409 6.479 1.00 0.00 O ATOM 214 CB SER A 15 -11.898 8.717 4.475 1.00 0.00 C ATOM 215 OG SER A 15 -12.354 8.512 5.800 1.00 0.00 O ATOM 0 H SER A 15 -9.526 7.154 5.673 1.00 0.00 H new ATOM 0 HA SER A 15 -10.065 8.739 3.353 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.191 9.711 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.376 8.000 3.808 1.00 0.00 H new ATOM 0 HG SER A 15 -13.328 8.614 5.830 1.00 0.00 H new ATOM 221 N GLY A 16 -9.299 10.722 4.668 1.00 0.00 N ATOM 222 CA GLY A 16 -8.649 11.781 5.416 1.00 0.00 C ATOM 223 C GLY A 16 -7.151 11.578 5.541 1.00 0.00 C ATOM 224 O GLY A 16 -6.368 12.434 5.129 1.00 0.00 O ATOM 0 H GLY A 16 -9.409 10.908 3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.842 12.736 4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.088 11.838 6.412 1.00 0.00 H new ATOM 228 N LEU A 17 -6.750 10.445 6.110 1.00 0.00 N ATOM 229 CA LEU A 17 -5.333 10.146 6.288 1.00 0.00 C ATOM 230 C LEU A 17 -4.665 9.854 4.947 1.00 0.00 C ATOM 231 O LEU A 17 -3.630 10.437 4.622 1.00 0.00 O ATOM 232 CB LEU A 17 -5.154 8.954 7.234 1.00 0.00 C ATOM 233 CG LEU A 17 -5.745 9.139 8.635 1.00 0.00 C ATOM 234 CD1 LEU A 17 -5.652 7.844 9.428 1.00 0.00 C ATOM 235 CD2 LEU A 17 -5.035 10.265 9.373 1.00 0.00 C ATOM 0 H LEU A 17 -7.382 9.722 6.454 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.855 11.022 6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.611 8.076 6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.089 8.744 7.331 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.796 9.406 8.530 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.076 7.994 10.421 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.206 7.060 8.911 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.607 7.549 9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.470 10.380 10.366 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.975 10.028 9.466 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.151 11.195 8.816 1.00 0.00 H new ATOM 247 N TYR A 18 -5.259 8.948 4.173 1.00 0.00 N ATOM 248 CA TYR A 18 -4.718 8.597 2.864 1.00 0.00 C ATOM 249 C TYR A 18 -5.812 8.641 1.805 1.00 0.00 C ATOM 250 O TYR A 18 -5.607 9.129 0.694 1.00 0.00 O ATOM 251 CB TYR A 18 -4.069 7.208 2.918 1.00 0.00 C ATOM 252 CG TYR A 18 -3.069 7.065 4.044 1.00 0.00 C ATOM 253 CD1 TYR A 18 -1.928 7.858 4.092 1.00 0.00 C ATOM 254 CD2 TYR A 18 -3.272 6.149 5.069 1.00 0.00 C ATOM 255 CE1 TYR A 18 -1.019 7.739 5.125 1.00 0.00 C ATOM 256 CE2 TYR A 18 -2.370 6.027 6.107 1.00 0.00 C ATOM 257 CZ TYR A 18 -1.245 6.823 6.132 1.00 0.00 C ATOM 258 OH TYR A 18 -0.344 6.705 7.164 1.00 0.00 O ATOM 0 H TYR A 18 -6.110 8.447 4.428 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.955 9.326 2.592 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.847 6.454 3.033 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.570 7.009 1.969 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.749 8.579 3.308 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.151 5.521 5.053 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.136 8.360 5.145 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.545 5.311 6.896 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.062 5.770 7.247 1.00 0.00 H new ATOM 268 N GLY A 19 -6.976 8.122 2.171 1.00 0.00 N ATOM 269 CA GLY A 19 -8.127 8.129 1.283 1.00 0.00 C ATOM 270 C GLY A 19 -7.898 7.431 -0.046 1.00 0.00 C ATOM 271 O GLY A 19 -8.719 7.558 -0.954 1.00 0.00 O ATOM 0 H GLY A 19 -7.147 7.690 3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.965 7.652 1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.417 9.162 1.092 1.00 0.00 H new ATOM 275 N THR A 20 -6.800 6.691 -0.177 1.00 0.00 N ATOM 276 CA THR A 20 -6.511 6.004 -1.433 1.00 0.00 C ATOM 277 C THR A 20 -6.305 4.505 -1.236 1.00 0.00 C ATOM 278 O THR A 20 -5.265 4.072 -0.742 1.00 0.00 O ATOM 279 CB THR A 20 -5.266 6.590 -2.123 1.00 0.00 C ATOM 280 OG1 THR A 20 -5.441 7.996 -2.339 1.00 0.00 O ATOM 281 CG2 THR A 20 -5.009 5.897 -3.455 1.00 0.00 C ATOM 0 H THR A 20 -6.106 6.553 0.558 1.00 0.00 H new ATOM 0 HA THR A 20 -7.385 6.158 -2.066 1.00 0.00 H new ATOM 0 HB THR A 20 -4.407 6.426 -1.473 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.523 8.452 -1.475 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.125 6.328 -3.924 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.848 4.832 -3.286 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.870 6.035 -4.109 1.00 0.00 H new ATOM 289 N ALA A 21 -7.304 3.721 -1.634 1.00 0.00 N ATOM 290 CA ALA A 21 -7.222 2.263 -1.525 1.00 0.00 C ATOM 291 C ALA A 21 -6.488 1.679 -2.732 1.00 0.00 C ATOM 292 O ALA A 21 -6.703 2.123 -3.861 1.00 0.00 O ATOM 293 CB ALA A 21 -8.614 1.664 -1.411 1.00 0.00 C ATOM 0 H ALA A 21 -8.177 4.067 -2.033 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.661 2.013 -0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.538 0.580 -1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.109 2.060 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.195 1.922 -2.296 1.00 0.00 H new ATOM 299 N GLN A 22 -5.627 0.684 -2.502 1.00 0.00 N ATOM 300 CA GLN A 22 -4.874 0.076 -3.596 1.00 0.00 C ATOM 301 C GLN A 22 -4.131 -1.173 -3.131 1.00 0.00 C ATOM 302 O GLN A 22 -4.168 -1.528 -1.955 1.00 0.00 O ATOM 303 CB GLN A 22 -3.885 1.090 -4.180 1.00 0.00 C ATOM 304 CG GLN A 22 -2.858 1.594 -3.178 1.00 0.00 C ATOM 305 CD GLN A 22 -2.171 2.868 -3.635 1.00 0.00 C ATOM 306 OE1 GLN A 22 -2.033 3.035 -4.947 1.00 0.00 O flip ATOM 307 NE2 GLN A 22 -1.768 3.696 -2.818 1.00 0.00 N flip ATOM 0 H GLN A 22 -5.437 0.289 -1.581 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.583 -0.222 -4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.364 0.632 -5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.441 1.940 -4.574 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.348 1.773 -2.221 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.108 0.821 -3.012 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.893 3.530 -1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.309 4.548 -3.140 1.00 0.00 H new ATOM 316 N CYS A 23 -3.457 -1.835 -4.069 1.00 0.00 N ATOM 317 CA CYS A 23 -2.705 -3.048 -3.760 1.00 0.00 C ATOM 318 C CYS A 23 -1.212 -2.744 -3.663 1.00 0.00 C ATOM 319 O CYS A 23 -0.603 -2.280 -4.626 1.00 0.00 O ATOM 320 CB CYS A 23 -2.948 -4.107 -4.838 1.00 0.00 C ATOM 321 SG CYS A 23 -4.706 -4.383 -5.231 1.00 0.00 S ATOM 0 H CYS A 23 -3.416 -1.552 -5.048 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.048 -3.429 -2.798 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.426 -3.810 -5.748 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.508 -5.049 -4.512 1.00 0.00 H new ATOM 326 N CYS A 24 -0.624 -3.013 -2.499 1.00 0.00 N ATOM 327 CA CYS A 24 0.800 -2.757 -2.288 1.00 0.00 C ATOM 328 C CYS A 24 1.603 -4.053 -2.293 1.00 0.00 C ATOM 329 O CYS A 24 1.498 -4.865 -1.373 1.00 0.00 O ATOM 330 CB CYS A 24 1.020 -2.007 -0.971 1.00 0.00 C ATOM 331 SG CYS A 24 0.275 -0.346 -0.944 1.00 0.00 S ATOM 0 H CYS A 24 -1.108 -3.406 -1.692 1.00 0.00 H new ATOM 0 HA CYS A 24 1.151 -2.137 -3.113 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.604 -2.596 -0.154 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.091 -1.919 -0.787 1.00 0.00 H new ATOM 336 N ALA A 25 2.403 -4.240 -3.340 1.00 0.00 N ATOM 337 CA ALA A 25 3.234 -5.429 -3.465 1.00 0.00 C ATOM 338 C ALA A 25 4.528 -5.259 -2.682 1.00 0.00 C ATOM 339 O ALA A 25 5.468 -4.614 -3.147 1.00 0.00 O ATOM 340 CB ALA A 25 3.527 -5.720 -4.929 1.00 0.00 C ATOM 0 H ALA A 25 2.492 -3.581 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 25 2.691 -6.277 -3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.149 -6.612 -5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.590 -5.884 -5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.052 -4.873 -5.370 1.00 0.00 H new ATOM 346 N THR A 26 4.568 -5.842 -1.489 1.00 0.00 N ATOM 347 CA THR A 26 5.741 -5.747 -0.632 1.00 0.00 C ATOM 348 C THR A 26 6.927 -6.499 -1.219 1.00 0.00 C ATOM 349 O THR A 26 6.768 -7.377 -2.067 1.00 0.00 O ATOM 350 CB THR A 26 5.463 -6.298 0.778 1.00 0.00 C ATOM 351 OG1 THR A 26 5.166 -7.698 0.707 1.00 0.00 O ATOM 352 CG2 THR A 26 4.303 -5.563 1.435 1.00 0.00 C ATOM 0 H THR A 26 3.800 -6.385 -1.094 1.00 0.00 H new ATOM 0 HA THR A 26 5.981 -4.686 -0.565 1.00 0.00 H new ATOM 0 HB THR A 26 6.356 -6.144 1.383 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.992 -8.042 1.608 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.129 -5.973 2.430 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.543 -4.503 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.405 -5.686 0.830 1.00 0.00 H new ATOM 360 N ASP A 27 8.117 -6.139 -0.757 1.00 0.00 N ATOM 361 CA ASP A 27 9.346 -6.772 -1.212 1.00 0.00 C ATOM 362 C ASP A 27 9.675 -7.998 -0.362 1.00 0.00 C ATOM 363 O ASP A 27 9.018 -8.255 0.646 1.00 0.00 O ATOM 364 CB ASP A 27 10.496 -5.769 -1.157 1.00 0.00 C ATOM 365 CG ASP A 27 10.553 -4.881 -2.385 1.00 0.00 C ATOM 366 OD1 ASP A 27 9.841 -3.856 -2.411 1.00 0.00 O ATOM 367 OD2 ASP A 27 11.310 -5.213 -3.322 1.00 0.00 O ATOM 0 H ASP A 27 8.257 -5.406 -0.062 1.00 0.00 H new ATOM 0 HA ASP A 27 9.205 -7.101 -2.242 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.389 -5.147 -0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.439 -6.307 -1.058 1.00 0.00 H new ATOM 372 N VAL A 28 10.695 -8.751 -0.771 1.00 0.00 N ATOM 373 CA VAL A 28 11.097 -9.949 -0.041 1.00 0.00 C ATOM 374 C VAL A 28 12.246 -9.654 0.917 1.00 0.00 C ATOM 375 O VAL A 28 12.033 -9.451 2.113 1.00 0.00 O ATOM 376 CB VAL A 28 11.519 -11.080 -0.999 1.00 0.00 C ATOM 377 CG1 VAL A 28 11.812 -12.359 -0.227 1.00 0.00 C ATOM 378 CG2 VAL A 28 10.447 -11.320 -2.052 1.00 0.00 C ATOM 0 H VAL A 28 11.255 -8.553 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 28 10.227 -10.274 0.530 1.00 0.00 H new ATOM 0 HB VAL A 28 12.433 -10.773 -1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.108 -13.144 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.620 -12.179 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.918 -12.671 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.765 -12.122 -2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.514 -11.602 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.294 -10.408 -2.629 1.00 0.00 H new ATOM 388 N LEU A 29 13.465 -9.630 0.385 1.00 0.00 N ATOM 389 CA LEU A 29 14.648 -9.362 1.195 1.00 0.00 C ATOM 390 C LEU A 29 14.979 -7.876 1.185 1.00 0.00 C ATOM 391 O LEU A 29 15.350 -7.306 2.212 1.00 0.00 O ATOM 392 CB LEU A 29 15.841 -10.173 0.682 1.00 0.00 C ATOM 393 CG LEU A 29 17.150 -9.963 1.449 1.00 0.00 C ATOM 394 CD1 LEU A 29 17.036 -10.492 2.870 1.00 0.00 C ATOM 395 CD2 LEU A 29 18.305 -10.627 0.720 1.00 0.00 C ATOM 0 H LEU A 29 13.659 -9.793 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 29 14.436 -9.662 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.583 -11.231 0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.008 -9.921 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 29 17.346 -8.892 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 29 17.978 -10.332 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 29 16.236 -9.966 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.812 -11.558 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 29 19.227 -10.468 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.113 -11.696 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.404 -10.194 -0.275 1.00 0.00 H new ATOM 407 N GLY A 30 14.846 -7.254 0.018 1.00 0.00 N ATOM 408 CA GLY A 30 15.118 -5.836 -0.099 1.00 0.00 C ATOM 409 C GLY A 30 13.944 -5.001 0.370 1.00 0.00 C ATOM 410 O GLY A 30 13.667 -3.936 -0.183 1.00 0.00 O ATOM 0 H GLY A 30 14.555 -7.708 -0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 30 16.001 -5.585 0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 30 15.346 -5.593 -1.137 1.00 0.00 H new ATOM 414 N VAL A 31 13.253 -5.495 1.394 1.00 0.00 N ATOM 415 CA VAL A 31 12.094 -4.808 1.947 1.00 0.00 C ATOM 416 C VAL A 31 12.435 -3.376 2.348 1.00 0.00 C ATOM 417 O VAL A 31 13.523 -3.100 2.854 1.00 0.00 O ATOM 418 CB VAL A 31 11.528 -5.558 3.168 1.00 0.00 C ATOM 419 CG1 VAL A 31 12.546 -5.586 4.294 1.00 0.00 C ATOM 420 CG2 VAL A 31 10.226 -4.923 3.633 1.00 0.00 C ATOM 0 H VAL A 31 13.479 -6.374 1.859 1.00 0.00 H new ATOM 0 HA VAL A 31 11.337 -4.785 1.163 1.00 0.00 H new ATOM 0 HB VAL A 31 11.317 -6.586 2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.129 -6.120 5.148 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.449 -6.093 3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.791 -4.566 4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.843 -5.468 4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.406 -3.884 3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.494 -4.961 2.826 1.00 0.00 H new ATOM 430 N ALA A 32 11.483 -2.480 2.119 1.00 0.00 N ATOM 431 CA ALA A 32 11.639 -1.063 2.433 1.00 0.00 C ATOM 432 C ALA A 32 10.422 -0.283 1.957 1.00 0.00 C ATOM 433 O ALA A 32 9.908 0.586 2.660 1.00 0.00 O ATOM 434 CB ALA A 32 12.899 -0.502 1.788 1.00 0.00 C ATOM 0 H ALA A 32 10.579 -2.715 1.710 1.00 0.00 H new ATOM 0 HA ALA A 32 11.729 -0.961 3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.995 0.555 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.770 -1.042 2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.836 -0.617 0.706 1.00 0.00 H new ATOM 440 N ASP A 33 9.972 -0.606 0.750 1.00 0.00 N ATOM 441 CA ASP A 33 8.813 0.048 0.155 1.00 0.00 C ATOM 442 C ASP A 33 7.939 -0.976 -0.567 1.00 0.00 C ATOM 443 O ASP A 33 8.401 -2.067 -0.897 1.00 0.00 O ATOM 444 CB ASP A 33 9.266 1.131 -0.826 1.00 0.00 C ATOM 445 CG ASP A 33 10.165 2.163 -0.173 1.00 0.00 C ATOM 446 OD1 ASP A 33 11.364 1.868 0.018 1.00 0.00 O ATOM 447 OD2 ASP A 33 9.672 3.263 0.149 1.00 0.00 O ATOM 0 H ASP A 33 10.396 -1.322 0.161 1.00 0.00 H new ATOM 0 HA ASP A 33 8.228 0.511 0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.796 0.666 -1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.391 1.628 -1.244 1.00 0.00 H new ATOM 452 N LEU A 34 6.678 -0.625 -0.810 1.00 0.00 N ATOM 453 CA LEU A 34 5.763 -1.533 -1.500 1.00 0.00 C ATOM 454 C LEU A 34 5.177 -0.858 -2.733 1.00 0.00 C ATOM 455 O LEU A 34 4.686 0.268 -2.660 1.00 0.00 O ATOM 456 CB LEU A 34 4.611 -2.001 -0.594 1.00 0.00 C ATOM 457 CG LEU A 34 4.716 -1.652 0.890 1.00 0.00 C ATOM 458 CD1 LEU A 34 3.409 -1.985 1.608 1.00 0.00 C ATOM 459 CD2 LEU A 34 5.879 -2.403 1.526 1.00 0.00 C ATOM 0 H LEU A 34 6.269 0.271 -0.543 1.00 0.00 H new ATOM 0 HA LEU A 34 6.347 -2.407 -1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.683 -1.577 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.527 -3.084 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 34 4.899 -0.582 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.499 -1.731 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.594 -1.412 1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.200 -3.050 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.943 -2.146 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.719 -3.476 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.808 -2.125 1.028 1.00 0.00 H new ATOM 471 N ASP A 35 5.229 -1.550 -3.865 1.00 0.00 N ATOM 472 CA ASP A 35 4.687 -1.015 -5.107 1.00 0.00 C ATOM 473 C ASP A 35 3.166 -0.959 -5.025 1.00 0.00 C ATOM 474 O ASP A 35 2.489 -1.964 -5.238 1.00 0.00 O ATOM 475 CB ASP A 35 5.116 -1.884 -6.290 1.00 0.00 C ATOM 476 CG ASP A 35 6.616 -2.096 -6.337 1.00 0.00 C ATOM 477 OD1 ASP A 35 7.315 -1.261 -6.948 1.00 0.00 O ATOM 478 OD2 ASP A 35 7.092 -3.099 -5.764 1.00 0.00 O ATOM 0 H ASP A 35 5.640 -2.480 -3.948 1.00 0.00 H new ATOM 0 HA ASP A 35 5.074 -0.007 -5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.617 -2.851 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.789 -1.416 -7.219 1.00 0.00 H new ATOM 483 N CYS A 36 2.635 0.221 -4.721 1.00 0.00 N ATOM 484 CA CYS A 36 1.192 0.393 -4.595 1.00 0.00 C ATOM 485 C CYS A 36 0.573 0.941 -5.877 1.00 0.00 C ATOM 486 O CYS A 36 0.785 2.099 -6.237 1.00 0.00 O ATOM 487 CB CYS A 36 0.876 1.319 -3.418 1.00 0.00 C ATOM 488 SG CYS A 36 1.667 0.822 -1.852 1.00 0.00 S ATOM 0 H CYS A 36 3.179 1.068 -4.558 1.00 0.00 H new ATOM 0 HA CYS A 36 0.755 -0.589 -4.412 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.194 2.331 -3.669 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.204 1.351 -3.274 1.00 0.00 H new ATOM 493 N ALA A 37 -0.195 0.095 -6.561 1.00 0.00 N ATOM 494 CA ALA A 37 -0.865 0.490 -7.794 1.00 0.00 C ATOM 495 C ALA A 37 -2.341 0.761 -7.533 1.00 0.00 C ATOM 496 O ALA A 37 -3.039 -0.071 -6.952 1.00 0.00 O ATOM 497 CB ALA A 37 -0.702 -0.583 -8.859 1.00 0.00 C ATOM 0 H ALA A 37 -0.368 -0.870 -6.280 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.403 1.408 -8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.209 -0.270 -9.772 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.358 -0.733 -9.066 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.138 -1.517 -8.504 1.00 0.00 H new ATOM 503 N ASN A 38 -2.816 1.917 -7.978 1.00 0.00 N ATOM 504 CA ASN A 38 -4.210 2.301 -7.766 1.00 0.00 C ATOM 505 C ASN A 38 -5.131 1.594 -8.762 1.00 0.00 C ATOM 506 O ASN A 38 -5.009 1.790 -9.971 1.00 0.00 O ATOM 507 CB ASN A 38 -4.379 3.822 -7.889 1.00 0.00 C ATOM 508 CG ASN A 38 -5.714 4.319 -7.355 1.00 0.00 C ATOM 509 OD1 ASN A 38 -6.740 3.475 -7.407 1.00 0.00 O flip ATOM 510 ND2 ASN A 38 -5.821 5.456 -6.895 1.00 0.00 N flip ATOM 0 H ASN A 38 -2.260 2.605 -8.487 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.488 1.995 -6.757 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.572 4.316 -7.349 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.284 4.109 -8.936 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.011 6.075 -6.872 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.720 5.779 -6.537 1.00 0.00 H new ATOM 517 N PRO A 39 -6.066 0.759 -8.264 1.00 0.00 N ATOM 518 CA PRO A 39 -7.013 0.040 -9.109 1.00 0.00 C ATOM 519 C PRO A 39 -8.281 0.848 -9.387 1.00 0.00 C ATOM 520 O PRO A 39 -9.122 1.009 -8.502 1.00 0.00 O ATOM 521 CB PRO A 39 -7.342 -1.185 -8.262 1.00 0.00 C ATOM 522 CG PRO A 39 -7.260 -0.701 -6.853 1.00 0.00 C ATOM 523 CD PRO A 39 -6.261 0.431 -6.836 1.00 0.00 C ATOM 0 HA PRO A 39 -6.604 -0.186 -10.094 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.335 -1.571 -8.492 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.636 -1.995 -8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.235 -0.361 -6.504 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.945 -1.504 -6.186 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.638 1.288 -6.278 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.325 0.130 -6.364 1.00 0.00 H new ATOM 531 N PRO A 40 -8.446 1.369 -10.620 1.00 0.00 N ATOM 532 CA PRO A 40 -9.628 2.153 -10.985 1.00 0.00 C ATOM 533 C PRO A 40 -10.862 1.271 -11.137 1.00 0.00 C ATOM 534 O PRO A 40 -10.982 0.517 -12.102 1.00 0.00 O ATOM 535 CB PRO A 40 -9.255 2.783 -12.339 1.00 0.00 C ATOM 536 CG PRO A 40 -7.802 2.491 -12.538 1.00 0.00 C ATOM 537 CD PRO A 40 -7.513 1.250 -11.747 1.00 0.00 C ATOM 0 HA PRO A 40 -9.879 2.890 -10.222 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.853 2.359 -13.146 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.441 3.857 -12.335 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.576 2.341 -13.594 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.187 3.323 -12.195 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.693 0.346 -12.329 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.476 1.213 -11.414 1.00 0.00 H new ATOM 545 N ALA A 41 -11.784 1.386 -10.182 1.00 0.00 N ATOM 546 CA ALA A 41 -13.015 0.601 -10.192 1.00 0.00 C ATOM 547 C ALA A 41 -13.858 0.898 -8.959 1.00 0.00 C ATOM 548 O ALA A 41 -13.414 1.592 -8.044 1.00 0.00 O ATOM 549 CB ALA A 41 -12.700 -0.889 -10.260 1.00 0.00 C ATOM 0 H ALA A 41 -11.699 2.020 -9.387 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.585 0.882 -11.078 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.630 -1.458 -10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.139 -1.101 -11.170 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.106 -1.175 -9.392 1.00 0.00 H new ATOM 555 N THR A 42 -15.076 0.368 -8.943 1.00 0.00 N ATOM 556 CA THR A 42 -15.981 0.570 -7.820 1.00 0.00 C ATOM 557 C THR A 42 -15.891 -0.586 -6.827 1.00 0.00 C ATOM 558 O THR A 42 -16.576 -1.599 -6.969 1.00 0.00 O ATOM 559 CB THR A 42 -17.439 0.727 -8.295 1.00 0.00 C ATOM 560 OG1 THR A 42 -18.331 0.649 -7.178 1.00 0.00 O ATOM 561 CG2 THR A 42 -17.801 -0.337 -9.323 1.00 0.00 C ATOM 0 H THR A 42 -15.458 -0.205 -9.695 1.00 0.00 H new ATOM 0 HA THR A 42 -15.673 1.490 -7.323 1.00 0.00 H new ATOM 0 HB THR A 42 -17.536 1.704 -8.768 1.00 0.00 H new ATOM 0 HG1 THR A 42 -19.255 0.751 -7.489 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.835 -0.201 -9.639 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.143 -0.247 -10.187 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.685 -1.326 -8.880 1.00 0.00 H new ATOM 569 N LEU A 43 -15.035 -0.427 -5.820 1.00 0.00 N ATOM 570 CA LEU A 43 -14.852 -1.453 -4.799 1.00 0.00 C ATOM 571 C LEU A 43 -16.178 -1.759 -4.106 1.00 0.00 C ATOM 572 O LEU A 43 -16.609 -1.027 -3.214 1.00 0.00 O ATOM 573 CB LEU A 43 -13.809 -0.995 -3.768 1.00 0.00 C ATOM 574 CG LEU A 43 -12.598 -0.251 -4.345 1.00 0.00 C ATOM 575 CD1 LEU A 43 -11.763 0.353 -3.227 1.00 0.00 C ATOM 576 CD2 LEU A 43 -11.747 -1.182 -5.200 1.00 0.00 C ATOM 0 H LEU A 43 -14.457 0.404 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 43 -14.494 -2.363 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.300 -0.347 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.452 -1.870 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.965 0.555 -4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.908 0.877 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.371 1.055 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.410 -0.440 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.894 -0.632 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.391 -2.012 -4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.346 -1.569 -6.024 1.00 0.00 H new ATOM 588 N ALA A 44 -16.821 -2.845 -4.531 1.00 0.00 N ATOM 589 CA ALA A 44 -18.105 -3.258 -3.971 1.00 0.00 C ATOM 590 C ALA A 44 -18.045 -3.369 -2.450 1.00 0.00 C ATOM 591 O ALA A 44 -18.976 -2.967 -1.752 1.00 0.00 O ATOM 592 CB ALA A 44 -18.541 -4.582 -4.579 1.00 0.00 C ATOM 0 H ALA A 44 -16.470 -3.458 -5.267 1.00 0.00 H new ATOM 0 HA ALA A 44 -18.839 -2.491 -4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.499 -4.880 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -18.642 -4.471 -5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.795 -5.346 -4.361 1.00 0.00 H new ATOM 598 N ASN A 45 -16.947 -3.920 -1.946 1.00 0.00 N ATOM 599 CA ASN A 45 -16.762 -4.086 -0.508 1.00 0.00 C ATOM 600 C ASN A 45 -15.305 -4.396 -0.185 1.00 0.00 C ATOM 601 O ASN A 45 -14.426 -4.226 -1.031 1.00 0.00 O ATOM 602 CB ASN A 45 -17.685 -5.188 0.031 1.00 0.00 C ATOM 603 CG ASN A 45 -17.665 -6.445 -0.819 1.00 0.00 C ATOM 604 OD1 ASN A 45 -16.473 -6.910 -1.167 1.00 0.00 O flip ATOM 605 ND2 ASN A 45 -18.714 -7.001 -1.146 1.00 0.00 N flip ATOM 0 H ASN A 45 -16.170 -4.260 -2.512 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.026 -3.149 -0.018 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -17.386 -5.439 1.049 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.705 -4.807 0.083 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -19.610 -6.609 -0.857 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -18.686 -7.853 -1.706 1.00 0.00 H new ATOM 612 N ALA A 46 -15.049 -4.850 1.038 1.00 0.00 N ATOM 613 CA ALA A 46 -13.692 -5.167 1.461 1.00 0.00 C ATOM 614 C ALA A 46 -13.180 -6.439 0.800 1.00 0.00 C ATOM 615 O ALA A 46 -12.139 -6.428 0.150 1.00 0.00 O ATOM 616 CB ALA A 46 -13.631 -5.288 2.975 1.00 0.00 C ATOM 0 H ALA A 46 -15.762 -5.006 1.751 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.043 -4.351 1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.612 -5.525 3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.935 -4.344 3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.302 -6.081 3.304 1.00 0.00 H new ATOM 622 N THR A 47 -13.913 -7.533 0.972 1.00 0.00 N ATOM 623 CA THR A 47 -13.527 -8.811 0.385 1.00 0.00 C ATOM 624 C THR A 47 -13.309 -8.681 -1.122 1.00 0.00 C ATOM 625 O THR A 47 -12.660 -9.523 -1.742 1.00 0.00 O ATOM 626 CB THR A 47 -14.592 -9.893 0.647 1.00 0.00 C ATOM 627 OG1 THR A 47 -14.891 -9.957 2.048 1.00 0.00 O ATOM 628 CG2 THR A 47 -14.112 -11.256 0.169 1.00 0.00 C ATOM 0 H THR A 47 -14.777 -7.561 1.513 1.00 0.00 H new ATOM 0 HA THR A 47 -12.592 -9.109 0.860 1.00 0.00 H new ATOM 0 HB THR A 47 -15.491 -9.625 0.092 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.570 -10.646 2.206 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.882 -12.002 0.365 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.910 -11.216 -0.901 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.200 -11.527 0.700 1.00 0.00 H new ATOM 636 N HIS A 48 -13.850 -7.614 -1.702 1.00 0.00 N ATOM 637 CA HIS A 48 -13.734 -7.381 -3.137 1.00 0.00 C ATOM 638 C HIS A 48 -12.338 -6.913 -3.524 1.00 0.00 C ATOM 639 O HIS A 48 -11.679 -7.551 -4.345 1.00 0.00 O ATOM 640 CB HIS A 48 -14.783 -6.366 -3.604 1.00 0.00 C ATOM 641 CG HIS A 48 -14.748 -6.093 -5.077 1.00 0.00 C ATOM 642 ND1 HIS A 48 -15.602 -6.699 -5.974 1.00 0.00 N ATOM 643 CD2 HIS A 48 -13.961 -5.268 -5.809 1.00 0.00 C ATOM 644 CE1 HIS A 48 -15.341 -6.262 -7.193 1.00 0.00 C ATOM 645 NE2 HIS A 48 -14.351 -5.392 -7.119 1.00 0.00 N ATOM 0 H HIS A 48 -14.373 -6.897 -1.200 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.914 -8.333 -3.637 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.774 -6.732 -3.335 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -14.633 -5.429 -3.067 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.174 -4.632 -5.432 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.851 -6.565 -8.096 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -13.942 -4.892 -7.908 1.00 0.00 H new ATOM 654 N PHE A 49 -11.875 -5.806 -2.946 1.00 0.00 N ATOM 655 CA PHE A 49 -10.548 -5.311 -3.283 1.00 0.00 C ATOM 656 C PHE A 49 -9.493 -6.082 -2.506 1.00 0.00 C ATOM 657 O PHE A 49 -8.310 -6.053 -2.845 1.00 0.00 O ATOM 658 CB PHE A 49 -10.426 -3.787 -3.111 1.00 0.00 C ATOM 659 CG PHE A 49 -10.255 -3.270 -1.713 1.00 0.00 C ATOM 660 CD1 PHE A 49 -11.043 -3.726 -0.673 1.00 0.00 C ATOM 661 CD2 PHE A 49 -9.315 -2.287 -1.458 1.00 0.00 C ATOM 662 CE1 PHE A 49 -10.887 -3.213 0.601 1.00 0.00 C ATOM 663 CE2 PHE A 49 -9.159 -1.766 -0.191 1.00 0.00 C ATOM 664 CZ PHE A 49 -9.945 -2.230 0.841 1.00 0.00 C ATOM 0 H PHE A 49 -12.385 -5.250 -2.260 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.376 -5.489 -4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -9.577 -3.446 -3.704 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -11.318 -3.326 -3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -11.786 -4.488 -0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.694 -1.923 -2.263 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.501 -3.580 1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.423 -0.997 -0.008 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.825 -1.827 1.836 1.00 0.00 H new ATOM 674 N GLU A 50 -9.928 -6.768 -1.453 1.00 0.00 N ATOM 675 CA GLU A 50 -9.022 -7.591 -0.667 1.00 0.00 C ATOM 676 C GLU A 50 -8.562 -8.775 -1.507 1.00 0.00 C ATOM 677 O GLU A 50 -7.414 -9.209 -1.416 1.00 0.00 O ATOM 678 CB GLU A 50 -9.702 -8.098 0.609 1.00 0.00 C ATOM 679 CG GLU A 50 -9.501 -7.195 1.813 1.00 0.00 C ATOM 680 CD GLU A 50 -10.044 -7.803 3.091 1.00 0.00 C ATOM 681 OE1 GLU A 50 -11.244 -7.609 3.378 1.00 0.00 O ATOM 682 OE2 GLU A 50 -9.269 -8.474 3.805 1.00 0.00 O ATOM 0 H GLU A 50 -10.895 -6.769 -1.128 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.165 -6.983 -0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.770 -8.205 0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.318 -9.091 0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.438 -6.989 1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.992 -6.239 1.632 1.00 0.00 H new ATOM 689 N SER A 51 -9.476 -9.295 -2.333 1.00 0.00 N ATOM 690 CA SER A 51 -9.170 -10.423 -3.200 1.00 0.00 C ATOM 691 C SER A 51 -8.492 -9.955 -4.485 1.00 0.00 C ATOM 692 O SER A 51 -7.636 -10.650 -5.031 1.00 0.00 O ATOM 693 CB SER A 51 -10.447 -11.193 -3.537 1.00 0.00 C ATOM 694 OG SER A 51 -11.068 -11.690 -2.362 1.00 0.00 O ATOM 0 H SER A 51 -10.432 -8.948 -2.415 1.00 0.00 H new ATOM 0 HA SER A 51 -8.484 -11.082 -2.668 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.139 -10.541 -4.070 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.211 -12.021 -4.205 1.00 0.00 H new ATOM 0 HG SER A 51 -11.671 -11.009 -1.998 1.00 0.00 H new ATOM 700 N THR A 52 -8.880 -8.773 -4.966 1.00 0.00 N ATOM 701 CA THR A 52 -8.300 -8.221 -6.186 1.00 0.00 C ATOM 702 C THR A 52 -6.796 -8.038 -6.021 1.00 0.00 C ATOM 703 O THR A 52 -6.035 -8.128 -6.983 1.00 0.00 O ATOM 704 CB THR A 52 -8.957 -6.876 -6.581 1.00 0.00 C ATOM 705 OG1 THR A 52 -8.951 -6.731 -8.006 1.00 0.00 O ATOM 706 CG2 THR A 52 -8.235 -5.687 -5.955 1.00 0.00 C ATOM 0 H THR A 52 -9.590 -8.184 -4.530 1.00 0.00 H new ATOM 0 HA THR A 52 -8.492 -8.933 -6.989 1.00 0.00 H new ATOM 0 HB THR A 52 -9.981 -6.890 -6.207 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.369 -5.879 -8.250 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.727 -4.762 -6.257 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.263 -5.775 -4.869 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.198 -5.673 -6.291 1.00 0.00 H new ATOM 714 N CYS A 53 -6.379 -7.779 -4.785 1.00 0.00 N ATOM 715 CA CYS A 53 -4.968 -7.601 -4.469 1.00 0.00 C ATOM 716 C CYS A 53 -4.317 -8.954 -4.196 1.00 0.00 C ATOM 717 O CYS A 53 -3.247 -9.260 -4.722 1.00 0.00 O ATOM 718 CB CYS A 53 -4.805 -6.684 -3.255 1.00 0.00 C ATOM 719 SG CYS A 53 -5.505 -5.017 -3.478 1.00 0.00 S ATOM 0 H CYS A 53 -7.003 -7.688 -3.983 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.475 -7.138 -5.324 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.280 -7.153 -2.393 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.744 -6.592 -3.023 1.00 0.00 H new ATOM 724 N ALA A 54 -4.979 -9.761 -3.370 1.00 0.00 N ATOM 725 CA ALA A 54 -4.485 -11.090 -3.020 1.00 0.00 C ATOM 726 C ALA A 54 -4.329 -11.975 -4.254 1.00 0.00 C ATOM 727 O ALA A 54 -3.697 -13.029 -4.191 1.00 0.00 O ATOM 728 CB ALA A 54 -5.424 -11.747 -2.021 1.00 0.00 C ATOM 0 H ALA A 54 -5.865 -9.515 -2.928 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.500 -10.972 -2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.048 -12.738 -1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.481 -11.137 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.417 -11.838 -2.461 1.00 0.00 H new ATOM 734 N ALA A 55 -4.915 -11.545 -5.370 1.00 0.00 N ATOM 735 CA ALA A 55 -4.847 -12.302 -6.617 1.00 0.00 C ATOM 736 C ALA A 55 -3.412 -12.706 -6.934 1.00 0.00 C ATOM 737 O ALA A 55 -3.133 -13.869 -7.224 1.00 0.00 O ATOM 738 CB ALA A 55 -5.429 -11.488 -7.763 1.00 0.00 C ATOM 0 H ALA A 55 -5.443 -10.675 -5.435 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.437 -13.210 -6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.371 -12.066 -8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.471 -11.251 -7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.862 -10.564 -7.877 1.00 0.00 H new ATOM 744 N ILE A 56 -2.506 -11.736 -6.881 1.00 0.00 N ATOM 745 CA ILE A 56 -1.095 -11.995 -7.153 1.00 0.00 C ATOM 746 C ILE A 56 -0.322 -12.223 -5.857 1.00 0.00 C ATOM 747 O ILE A 56 0.889 -12.446 -5.874 1.00 0.00 O ATOM 748 CB ILE A 56 -0.441 -10.838 -7.933 1.00 0.00 C ATOM 749 CG1 ILE A 56 -0.739 -9.505 -7.248 1.00 0.00 C ATOM 750 CG2 ILE A 56 -0.935 -10.825 -9.373 1.00 0.00 C ATOM 751 CD1 ILE A 56 0.192 -8.387 -7.665 1.00 0.00 C ATOM 0 H ILE A 56 -2.721 -10.765 -6.653 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.054 -12.896 -7.765 1.00 0.00 H new ATOM 0 HB ILE A 56 0.639 -10.987 -7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.765 -9.213 -7.470 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.672 -9.638 -6.168 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.465 -10.002 -9.912 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.678 -11.768 -9.854 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.017 -10.695 -9.385 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.080 -7.472 -7.139 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.219 -8.657 -7.417 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.108 -8.226 -8.740 1.00 0.00 H new ATOM 763 N GLY A 57 -1.033 -12.165 -4.735 1.00 0.00 N ATOM 764 CA GLY A 57 -0.406 -12.369 -3.440 1.00 0.00 C ATOM 765 C GLY A 57 -0.189 -11.068 -2.688 1.00 0.00 C ATOM 766 O GLY A 57 0.728 -10.961 -1.873 1.00 0.00 O ATOM 0 H GLY A 57 -2.035 -11.980 -4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.028 -13.033 -2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.553 -12.869 -3.579 1.00 0.00 H new ATOM 770 N GLN A 58 -1.036 -10.076 -2.961 1.00 0.00 N ATOM 771 CA GLN A 58 -0.929 -8.775 -2.305 1.00 0.00 C ATOM 772 C GLN A 58 -2.050 -8.574 -1.288 1.00 0.00 C ATOM 773 O GLN A 58 -2.785 -9.507 -0.966 1.00 0.00 O ATOM 774 CB GLN A 58 -0.952 -7.648 -3.345 1.00 0.00 C ATOM 775 CG GLN A 58 0.406 -7.367 -3.976 1.00 0.00 C ATOM 776 CD GLN A 58 1.439 -8.418 -3.625 1.00 0.00 C ATOM 777 OE1 GLN A 58 2.170 -8.285 -2.644 1.00 0.00 O ATOM 778 NE2 GLN A 58 1.497 -9.478 -4.418 1.00 0.00 N ATOM 0 H GLN A 58 -1.802 -10.149 -3.631 1.00 0.00 H new ATOM 0 HA GLN A 58 0.021 -8.747 -1.772 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.661 -7.906 -4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.318 -6.737 -2.872 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.296 -7.318 -5.059 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.760 -6.390 -3.647 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.872 -9.549 -5.221 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.166 -10.223 -4.225 1.00 0.00 H new ATOM 787 N ARG A 59 -2.176 -7.346 -0.787 1.00 0.00 N ATOM 788 CA ARG A 59 -3.202 -7.019 0.199 1.00 0.00 C ATOM 789 C ARG A 59 -3.693 -5.585 0.031 1.00 0.00 C ATOM 790 O ARG A 59 -2.997 -4.735 -0.523 1.00 0.00 O ATOM 791 CB ARG A 59 -2.660 -7.216 1.618 1.00 0.00 C ATOM 792 CG ARG A 59 -1.616 -6.187 2.026 1.00 0.00 C ATOM 793 CD ARG A 59 -0.268 -6.462 1.375 1.00 0.00 C ATOM 794 NE ARG A 59 0.297 -7.739 1.804 1.00 0.00 N ATOM 795 CZ ARG A 59 1.298 -8.351 1.178 1.00 0.00 C ATOM 796 NH1 ARG A 59 1.842 -7.807 0.098 1.00 0.00 N ATOM 797 NH2 ARG A 59 1.757 -9.509 1.633 1.00 0.00 N ATOM 0 H ARG A 59 -1.579 -6.561 -1.049 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.044 -7.692 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.491 -7.176 2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.224 -8.212 1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.959 -5.191 1.746 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.504 -6.193 3.110 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.382 -6.462 0.291 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.425 -5.658 1.622 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.099 -8.187 2.631 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.493 -6.916 -0.255 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.610 -8.279 -0.379 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.342 -9.931 2.464 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.525 -9.978 1.152 1.00 0.00 H new ATOM 811 N ALA A 60 -4.901 -5.333 0.521 1.00 0.00 N ATOM 812 CA ALA A 60 -5.509 -4.007 0.441 1.00 0.00 C ATOM 813 C ALA A 60 -4.843 -3.039 1.421 1.00 0.00 C ATOM 814 O ALA A 60 -4.772 -3.309 2.620 1.00 0.00 O ATOM 815 CB ALA A 60 -7.006 -4.100 0.711 1.00 0.00 C ATOM 0 H ALA A 60 -5.483 -6.033 0.981 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.358 -3.619 -0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.449 -3.106 0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.470 -4.751 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.171 -4.509 1.708 1.00 0.00 H new ATOM 821 N ARG A 61 -4.357 -1.910 0.901 1.00 0.00 N ATOM 822 CA ARG A 61 -3.689 -0.906 1.728 1.00 0.00 C ATOM 823 C ARG A 61 -4.181 0.507 1.392 1.00 0.00 C ATOM 824 O ARG A 61 -5.027 0.686 0.515 1.00 0.00 O ATOM 825 CB ARG A 61 -2.176 -0.983 1.515 1.00 0.00 C ATOM 826 CG ARG A 61 -1.594 -2.371 1.734 1.00 0.00 C ATOM 827 CD ARG A 61 -1.380 -2.669 3.205 1.00 0.00 C ATOM 828 NE ARG A 61 -0.114 -2.130 3.702 1.00 0.00 N ATOM 829 CZ ARG A 61 0.375 -2.393 4.910 1.00 0.00 C ATOM 830 NH1 ARG A 61 -0.304 -3.161 5.753 1.00 0.00 N ATOM 831 NH2 ARG A 61 1.543 -1.885 5.279 1.00 0.00 N ATOM 0 H ARG A 61 -4.414 -1.669 -0.089 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.928 -1.114 2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.945 -0.658 0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.687 -0.283 2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.264 -3.117 1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.645 -2.454 1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.203 -2.248 3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.400 -3.748 3.362 1.00 0.00 H new ATOM 0 HE ARG A 61 0.423 -1.518 3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.204 -3.552 5.475 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.074 -3.361 6.679 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.067 -1.292 4.636 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.917 -2.087 6.206 1.00 0.00 H new ATOM 845 N CYS A 62 -3.640 1.505 2.094 1.00 0.00 N ATOM 846 CA CYS A 62 -4.012 2.907 1.870 1.00 0.00 C ATOM 847 C CYS A 62 -2.821 3.835 2.141 1.00 0.00 C ATOM 848 O CYS A 62 -2.434 4.020 3.293 1.00 0.00 O ATOM 849 CB CYS A 62 -5.177 3.306 2.777 1.00 0.00 C ATOM 850 SG CYS A 62 -6.721 2.392 2.473 1.00 0.00 S ATOM 0 H CYS A 62 -2.941 1.370 2.824 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.315 3.008 0.828 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.880 3.156 3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.370 4.371 2.651 1.00 0.00 H new ATOM 855 N CYS A 63 -2.242 4.418 1.085 1.00 0.00 N ATOM 856 CA CYS A 63 -1.088 5.308 1.239 1.00 0.00 C ATOM 857 C CYS A 63 -1.379 6.699 0.678 1.00 0.00 C ATOM 858 O CYS A 63 -2.394 6.910 0.013 1.00 0.00 O ATOM 859 CB CYS A 63 0.144 4.723 0.540 1.00 0.00 C ATOM 860 SG CYS A 63 -0.131 3.135 -0.316 1.00 0.00 S ATOM 0 H CYS A 63 -2.552 4.290 0.122 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.888 5.398 2.307 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.510 5.450 -0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.932 4.587 1.281 1.00 0.00 H new ATOM 865 N LYS A 64 -0.477 7.644 0.949 1.00 0.00 N ATOM 866 CA LYS A 64 -0.645 9.020 0.473 1.00 0.00 C ATOM 867 C LYS A 64 0.133 9.256 -0.826 1.00 0.00 C ATOM 868 O LYS A 64 0.770 8.340 -1.346 1.00 0.00 O ATOM 869 CB LYS A 64 -0.226 10.011 1.584 1.00 0.00 C ATOM 870 CG LYS A 64 0.980 10.899 1.273 1.00 0.00 C ATOM 871 CD LYS A 64 2.281 10.110 1.225 1.00 0.00 C ATOM 872 CE LYS A 64 2.737 9.711 2.613 1.00 0.00 C ATOM 873 NZ LYS A 64 4.069 9.041 2.594 1.00 0.00 N ATOM 0 H LYS A 64 0.372 7.485 1.492 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.697 9.190 0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.077 10.654 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.009 9.442 2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.824 11.397 0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.059 11.679 2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.145 9.217 0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.054 10.709 0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.786 10.597 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.001 9.041 3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.245 8.592 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.083 8.317 1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.810 9.746 2.406 1.00 0.00 H new ATOM 887 N ASP A 65 0.046 10.489 -1.345 1.00 0.00 N ATOM 888 CA ASP A 65 0.732 10.896 -2.577 1.00 0.00 C ATOM 889 C ASP A 65 -0.091 10.540 -3.810 1.00 0.00 C ATOM 890 O ASP A 65 0.343 10.760 -4.941 1.00 0.00 O ATOM 891 CB ASP A 65 2.132 10.279 -2.675 1.00 0.00 C ATOM 892 CG ASP A 65 2.972 10.917 -3.764 1.00 0.00 C ATOM 893 OD1 ASP A 65 3.590 11.969 -3.498 1.00 0.00 O ATOM 894 OD2 ASP A 65 3.014 10.364 -4.883 1.00 0.00 O ATOM 0 H ASP A 65 -0.505 11.234 -0.919 1.00 0.00 H new ATOM 0 HA ASP A 65 0.844 11.980 -2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.641 10.387 -1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.042 9.210 -2.869 1.00 0.00 H new ATOM 899 N ASP A 66 -1.280 9.993 -3.587 1.00 0.00 N ATOM 900 CA ASP A 66 -2.164 9.623 -4.686 1.00 0.00 C ATOM 901 C ASP A 66 -3.432 10.468 -4.653 1.00 0.00 C ATOM 902 O ASP A 66 -4.449 10.113 -5.249 1.00 0.00 O ATOM 903 CB ASP A 66 -2.515 8.136 -4.612 1.00 0.00 C ATOM 904 CG ASP A 66 -3.138 7.624 -5.897 1.00 0.00 C ATOM 905 OD1 ASP A 66 -2.380 7.273 -6.824 1.00 0.00 O ATOM 906 OD2 ASP A 66 -4.384 7.577 -5.974 1.00 0.00 O ATOM 0 H ASP A 66 -1.654 9.796 -2.658 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.645 9.810 -5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.613 7.563 -4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.205 7.969 -3.785 1.00 0.00 H new ATOM 911 N VAL A 67 -3.355 11.592 -3.952 1.00 0.00 N ATOM 912 CA VAL A 67 -4.488 12.501 -3.828 1.00 0.00 C ATOM 913 C VAL A 67 -4.211 13.836 -4.521 1.00 0.00 C ATOM 914 O VAL A 67 -5.130 14.490 -5.016 1.00 0.00 O ATOM 915 CB VAL A 67 -4.836 12.757 -2.349 1.00 0.00 C ATOM 916 CG1 VAL A 67 -5.094 11.442 -1.628 1.00 0.00 C ATOM 917 CG2 VAL A 67 -3.726 13.537 -1.659 1.00 0.00 C ATOM 0 H VAL A 67 -2.516 11.897 -3.459 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.336 12.020 -4.316 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.746 13.357 -2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.338 11.641 -0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.927 10.924 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.202 10.818 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.994 13.706 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.797 12.968 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.591 14.496 -2.159 1.00 0.00 H new ATOM 927 N THR A 68 -2.940 14.234 -4.552 1.00 0.00 N ATOM 928 CA THR A 68 -2.542 15.488 -5.185 1.00 0.00 C ATOM 929 C THR A 68 -2.897 15.499 -6.670 1.00 0.00 C ATOM 930 O THR A 68 -2.823 16.538 -7.327 1.00 0.00 O ATOM 931 CB THR A 68 -1.029 15.747 -5.027 1.00 0.00 C ATOM 932 OG1 THR A 68 -0.715 17.081 -5.445 1.00 0.00 O ATOM 933 CG2 THR A 68 -0.207 14.756 -5.842 1.00 0.00 C ATOM 0 H THR A 68 -2.169 13.705 -4.145 1.00 0.00 H new ATOM 0 HA THR A 68 -3.093 16.281 -4.679 1.00 0.00 H new ATOM 0 HB THR A 68 -0.778 15.619 -3.974 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.274 17.324 -6.212 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.854 14.967 -5.708 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.421 13.742 -5.505 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.465 14.850 -6.897 1.00 0.00 H new ATOM 941 N ASN A 69 -3.283 14.338 -7.191 1.00 0.00 N ATOM 942 CA ASN A 69 -3.651 14.212 -8.594 1.00 0.00 C ATOM 943 C ASN A 69 -4.453 12.938 -8.826 1.00 0.00 C ATOM 944 O ASN A 69 -3.955 11.831 -8.626 1.00 0.00 O ATOM 945 CB ASN A 69 -2.403 14.211 -9.479 1.00 0.00 C ATOM 946 CG ASN A 69 -2.744 14.126 -10.954 1.00 0.00 C ATOM 947 OD1 ASN A 69 -3.793 14.601 -11.388 1.00 0.00 O ATOM 948 ND2 ASN A 69 -1.857 13.517 -11.734 1.00 0.00 N ATOM 0 H ASN A 69 -3.349 13.470 -6.659 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.270 15.069 -8.860 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.828 15.118 -9.293 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.767 13.369 -9.206 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.033 13.429 -12.735 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.000 13.137 -11.332 1.00 0.00 H new ATOM 955 N THR A 70 -5.702 13.107 -9.246 1.00 0.00 N ATOM 956 CA THR A 70 -6.585 11.983 -9.511 1.00 0.00 C ATOM 957 C THR A 70 -6.034 11.085 -10.616 1.00 0.00 C ATOM 958 O THR A 70 -6.537 9.984 -10.841 1.00 0.00 O ATOM 959 CB THR A 70 -7.986 12.473 -9.913 1.00 0.00 C ATOM 960 OG1 THR A 70 -7.892 13.349 -11.043 1.00 0.00 O ATOM 961 CG2 THR A 70 -8.660 13.195 -8.757 1.00 0.00 C ATOM 0 H THR A 70 -6.126 14.020 -9.411 1.00 0.00 H new ATOM 0 HA THR A 70 -6.651 11.405 -8.589 1.00 0.00 H new ATOM 0 HB THR A 70 -8.590 11.605 -10.177 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.788 13.656 -11.295 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.649 13.532 -9.066 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.756 12.516 -7.910 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.058 14.056 -8.465 1.00 0.00 H new ATOM 969 N GLY A 71 -4.998 11.562 -11.302 1.00 0.00 N ATOM 970 CA GLY A 71 -4.398 10.789 -12.374 1.00 0.00 C ATOM 971 C GLY A 71 -3.355 9.809 -11.874 1.00 0.00 C ATOM 972 O GLY A 71 -2.996 8.863 -12.576 1.00 0.00 O ATOM 0 H GLY A 71 -4.564 12.470 -11.134 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.179 10.244 -12.904 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.938 11.467 -13.093 1.00 0.00 H new ATOM 976 N ASN A 72 -2.867 10.035 -10.658 1.00 0.00 N ATOM 977 CA ASN A 72 -1.860 9.164 -10.062 1.00 0.00 C ATOM 978 C ASN A 72 -2.401 7.749 -9.879 1.00 0.00 C ATOM 979 O ASN A 72 -3.551 7.564 -9.479 1.00 0.00 O ATOM 980 CB ASN A 72 -1.407 9.722 -8.712 1.00 0.00 C ATOM 981 CG ASN A 72 -0.735 11.075 -8.836 1.00 0.00 C ATOM 982 OD1 ASN A 72 -0.126 11.389 -9.858 1.00 0.00 O ATOM 983 ND2 ASN A 72 -0.840 11.884 -7.789 1.00 0.00 N ATOM 0 H ASN A 72 -3.153 10.815 -10.066 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.007 9.125 -10.739 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.269 9.808 -8.051 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.717 9.019 -8.246 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.406 12.807 -7.812 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.355 11.583 -6.961 1.00 0.00 H new ATOM 990 N SER A 73 -1.570 6.752 -10.173 1.00 0.00 N ATOM 991 CA SER A 73 -1.972 5.356 -10.033 1.00 0.00 C ATOM 992 C SER A 73 -0.944 4.570 -9.223 1.00 0.00 C ATOM 993 O SER A 73 -1.172 4.253 -8.056 1.00 0.00 O ATOM 994 CB SER A 73 -2.157 4.712 -11.408 1.00 0.00 C ATOM 995 OG SER A 73 -2.541 3.354 -11.285 1.00 0.00 O ATOM 0 H SER A 73 -0.616 6.885 -10.509 1.00 0.00 H new ATOM 0 HA SER A 73 -2.922 5.332 -9.500 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.914 5.258 -11.970 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.228 4.781 -11.974 1.00 0.00 H new ATOM 0 HG SER A 73 -3.397 3.298 -10.811 1.00 0.00 H new ATOM 1001 N PHE A 74 0.188 4.262 -9.850 1.00 0.00 N ATOM 1002 CA PHE A 74 1.252 3.513 -9.182 1.00 0.00 C ATOM 1003 C PHE A 74 2.296 4.459 -8.595 1.00 0.00 C ATOM 1004 O PHE A 74 2.832 5.318 -9.296 1.00 0.00 O ATOM 1005 CB PHE A 74 1.912 2.525 -10.160 1.00 0.00 C ATOM 1006 CG PHE A 74 3.304 2.114 -9.761 1.00 0.00 C ATOM 1007 CD1 PHE A 74 3.525 1.420 -8.581 1.00 0.00 C ATOM 1008 CD2 PHE A 74 4.390 2.426 -10.564 1.00 0.00 C ATOM 1009 CE1 PHE A 74 4.802 1.045 -8.212 1.00 0.00 C ATOM 1010 CE2 PHE A 74 5.669 2.051 -10.199 1.00 0.00 C ATOM 1011 CZ PHE A 74 5.876 1.361 -9.021 1.00 0.00 C ATOM 0 H PHE A 74 0.393 4.518 -10.816 1.00 0.00 H new ATOM 0 HA PHE A 74 0.806 2.947 -8.364 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.289 1.634 -10.238 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.947 2.978 -11.151 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.690 1.170 -7.944 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.235 2.968 -11.485 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.961 0.504 -7.291 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.506 2.298 -10.835 1.00 0.00 H new ATOM 0 HZ PHE A 74 6.875 1.069 -8.733 1.00 0.00 H new ATOM 1021 N LEU A 75 2.583 4.296 -7.303 1.00 0.00 N ATOM 1022 CA LEU A 75 3.560 5.139 -6.626 1.00 0.00 C ATOM 1023 C LEU A 75 4.540 4.304 -5.811 1.00 0.00 C ATOM 1024 O LEU A 75 4.239 3.173 -5.425 1.00 0.00 O ATOM 1025 CB LEU A 75 2.857 6.138 -5.705 1.00 0.00 C ATOM 1026 CG LEU A 75 1.694 6.904 -6.341 1.00 0.00 C ATOM 1027 CD1 LEU A 75 0.930 7.684 -5.284 1.00 0.00 C ATOM 1028 CD2 LEU A 75 2.202 7.838 -7.430 1.00 0.00 C ATOM 0 H LEU A 75 2.152 3.588 -6.708 1.00 0.00 H new ATOM 0 HA LEU A 75 4.115 5.679 -7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.484 5.603 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.593 6.858 -5.347 1.00 0.00 H new ATOM 0 HG LEU A 75 1.015 6.183 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.107 8.223 -5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.534 6.995 -4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.600 8.395 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.362 8.374 -7.871 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.902 8.553 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.706 7.257 -8.202 1.00 0.00 H new ATOM 1040 N ILE A 76 5.710 4.874 -5.554 1.00 0.00 N ATOM 1041 CA ILE A 76 6.739 4.207 -4.769 1.00 0.00 C ATOM 1042 C ILE A 76 6.877 4.907 -3.426 1.00 0.00 C ATOM 1043 O ILE A 76 7.490 5.970 -3.330 1.00 0.00 O ATOM 1044 CB ILE A 76 8.099 4.214 -5.497 1.00 0.00 C ATOM 1045 CG1 ILE A 76 7.947 3.608 -6.896 1.00 0.00 C ATOM 1046 CG2 ILE A 76 9.137 3.449 -4.687 1.00 0.00 C ATOM 1047 CD1 ILE A 76 9.205 3.679 -7.736 1.00 0.00 C ATOM 0 H ILE A 76 5.971 5.804 -5.881 1.00 0.00 H new ATOM 0 HA ILE A 76 6.440 3.169 -4.625 1.00 0.00 H new ATOM 0 HB ILE A 76 8.440 5.244 -5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.645 2.565 -6.799 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.143 4.125 -7.420 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.091 3.463 -5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.254 3.918 -3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.809 2.418 -4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 76 9.017 3.230 -8.711 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.497 4.721 -7.866 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.008 3.137 -7.236 1.00 0.00 H new ATOM 1059 N ILE A 77 6.305 4.308 -2.390 1.00 0.00 N ATOM 1060 CA ILE A 77 6.333 4.908 -1.064 1.00 0.00 C ATOM 1061 C ILE A 77 6.723 3.915 0.024 1.00 0.00 C ATOM 1062 O ILE A 77 6.723 2.703 -0.187 1.00 0.00 O ATOM 1063 CB ILE A 77 4.962 5.516 -0.719 1.00 0.00 C ATOM 1064 CG1 ILE A 77 3.838 4.567 -1.184 1.00 0.00 C ATOM 1065 CG2 ILE A 77 4.834 6.904 -1.341 1.00 0.00 C ATOM 1066 CD1 ILE A 77 2.713 5.242 -1.947 1.00 0.00 C ATOM 0 H ILE A 77 5.819 3.413 -2.442 1.00 0.00 H new ATOM 0 HA ILE A 77 7.095 5.687 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 77 4.871 5.633 0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.273 3.792 -1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.418 4.068 -0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.861 7.326 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.621 7.551 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.929 6.828 -2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.970 4.498 -2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.246 5.997 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.114 5.717 -2.842 1.00 0.00 H new ATOM 1078 N ASN A 78 7.049 4.457 1.193 1.00 0.00 N ATOM 1079 CA ASN A 78 7.453 3.654 2.341 1.00 0.00 C ATOM 1080 C ASN A 78 6.272 2.870 2.903 1.00 0.00 C ATOM 1081 O ASN A 78 5.115 3.215 2.669 1.00 0.00 O ATOM 1082 CB ASN A 78 8.038 4.562 3.425 1.00 0.00 C ATOM 1083 CG ASN A 78 8.940 3.812 4.386 1.00 0.00 C ATOM 1084 OD1 ASN A 78 9.514 2.781 4.037 1.00 0.00 O ATOM 1085 ND2 ASN A 78 9.078 4.329 5.600 1.00 0.00 N ATOM 0 H ASN A 78 7.041 5.461 1.371 1.00 0.00 H new ATOM 0 HA ASN A 78 8.210 2.941 2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.603 5.367 2.954 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.225 5.027 3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.678 3.869 6.285 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.584 5.186 5.849 1.00 0.00 H new ATOM 1092 N ALA A 79 6.577 1.809 3.648 1.00 0.00 N ATOM 1093 CA ALA A 79 5.544 0.974 4.248 1.00 0.00 C ATOM 1094 C ALA A 79 4.818 1.719 5.359 1.00 0.00 C ATOM 1095 O ALA A 79 3.716 1.343 5.755 1.00 0.00 O ATOM 1096 CB ALA A 79 6.148 -0.314 4.786 1.00 0.00 C ATOM 0 H ALA A 79 7.531 1.509 3.849 1.00 0.00 H new ATOM 0 HA ALA A 79 4.819 0.725 3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.363 -0.926 5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.619 -0.864 3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.896 -0.077 5.543 1.00 0.00 H new ATOM 1102 N ALA A 80 5.448 2.777 5.860 1.00 0.00 N ATOM 1103 CA ALA A 80 4.859 3.577 6.924 1.00 0.00 C ATOM 1104 C ALA A 80 3.799 4.520 6.373 1.00 0.00 C ATOM 1105 O ALA A 80 3.127 5.222 7.131 1.00 0.00 O ATOM 1106 CB ALA A 80 5.936 4.363 7.656 1.00 0.00 C ATOM 0 H ALA A 80 6.364 3.098 5.546 1.00 0.00 H new ATOM 0 HA ALA A 80 4.379 2.900 7.630 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.479 4.956 8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.659 3.672 8.091 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.444 5.025 6.954 1.00 0.00 H new ATOM 1112 N ASN A 81 3.655 4.541 5.051 1.00 0.00 N ATOM 1113 CA ASN A 81 2.666 5.400 4.413 1.00 0.00 C ATOM 1114 C ASN A 81 1.370 4.650 4.137 1.00 0.00 C ATOM 1115 O ASN A 81 0.292 5.240 4.140 1.00 0.00 O ATOM 1116 CB ASN A 81 3.196 5.982 3.100 1.00 0.00 C ATOM 1117 CG ASN A 81 2.116 6.702 2.336 1.00 0.00 C ATOM 1118 OD1 ASN A 81 1.163 7.204 2.930 1.00 0.00 O ATOM 1119 ND2 ASN A 81 2.263 6.768 1.018 1.00 0.00 N ATOM 0 H ASN A 81 4.207 3.977 4.405 1.00 0.00 H new ATOM 0 HA ASN A 81 2.465 6.214 5.110 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.014 6.671 3.311 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.605 5.180 2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.567 7.252 0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.072 6.335 0.573 1.00 0.00 H new ATOM 1126 N CYS A 82 1.466 3.348 3.914 1.00 0.00 N ATOM 1127 CA CYS A 82 0.283 2.563 3.607 1.00 0.00 C ATOM 1128 C CYS A 82 -0.082 1.646 4.773 1.00 0.00 C ATOM 1129 O CYS A 82 0.502 0.576 4.941 1.00 0.00 O ATOM 1130 CB CYS A 82 0.508 1.740 2.332 1.00 0.00 C ATOM 1131 SG CYS A 82 -0.840 1.876 1.116 1.00 0.00 S ATOM 0 H CYS A 82 2.338 2.820 3.939 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.548 3.249 3.442 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.439 2.060 1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.633 0.692 2.605 1.00 0.00 H new ATOM 1136 N GLN A 83 -1.053 2.077 5.573 1.00 0.00 N ATOM 1137 CA GLN A 83 -1.506 1.299 6.723 1.00 0.00 C ATOM 1138 C GLN A 83 -2.818 0.578 6.418 1.00 0.00 C ATOM 1139 O GLN A 83 -3.734 1.158 5.835 1.00 0.00 O ATOM 1140 CB GLN A 83 -1.687 2.215 7.942 1.00 0.00 C ATOM 1141 CG GLN A 83 -0.414 2.399 8.761 1.00 0.00 C ATOM 1142 CD GLN A 83 0.707 3.026 7.956 1.00 0.00 C ATOM 1143 OE1 GLN A 83 0.833 4.248 7.895 1.00 0.00 O ATOM 1144 NE2 GLN A 83 1.530 2.188 7.336 1.00 0.00 N ATOM 0 H GLN A 83 -1.543 2.963 5.446 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.746 0.549 6.943 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.036 3.191 7.604 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.466 1.803 8.584 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.630 3.025 9.627 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.087 1.431 9.141 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.387 1.181 7.415 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.305 2.551 6.781 1.00 0.00 H new ATOM 1153 N THR A 84 -2.890 -0.693 6.813 1.00 0.00 N ATOM 1154 CA THR A 84 -4.085 -1.505 6.594 1.00 0.00 C ATOM 1155 C THR A 84 -5.342 -0.778 7.082 1.00 0.00 C ATOM 1156 O THR A 84 -5.350 -0.221 8.180 1.00 0.00 O ATOM 1157 CB THR A 84 -3.983 -2.861 7.322 1.00 0.00 C ATOM 1158 OG1 THR A 84 -2.616 -3.284 7.382 1.00 0.00 O ATOM 1159 CG2 THR A 84 -4.809 -3.922 6.610 1.00 0.00 C ATOM 0 H THR A 84 -2.132 -1.183 7.288 1.00 0.00 H new ATOM 0 HA THR A 84 -4.157 -1.678 5.520 1.00 0.00 H new ATOM 0 HB THR A 84 -4.372 -2.733 8.332 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.560 -4.145 7.847 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.721 -4.869 7.142 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.854 -3.614 6.587 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.444 -4.044 5.590 1.00 0.00 H new ATOM 1167 N PRO A 85 -6.425 -0.770 6.274 1.00 0.00 N ATOM 1168 CA PRO A 85 -7.679 -0.100 6.643 1.00 0.00 C ATOM 1169 C PRO A 85 -8.308 -0.690 7.903 1.00 0.00 C ATOM 1170 O PRO A 85 -8.157 -1.877 8.187 1.00 0.00 O ATOM 1171 CB PRO A 85 -8.595 -0.340 5.435 1.00 0.00 C ATOM 1172 CG PRO A 85 -7.994 -1.494 4.711 1.00 0.00 C ATOM 1173 CD PRO A 85 -6.515 -1.406 4.946 1.00 0.00 C ATOM 0 HA PRO A 85 -7.515 0.954 6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.614 -0.562 5.752 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.644 0.542 4.797 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.392 -2.438 5.083 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.223 -1.449 3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.046 -2.390 4.938 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.020 -0.810 4.179 1.00 0.00 H new ATOM 1181 N ALA A 86 -9.017 0.153 8.651 1.00 0.00 N ATOM 1182 CA ALA A 86 -9.677 -0.278 9.877 1.00 0.00 C ATOM 1183 C ALA A 86 -10.823 -1.239 9.573 1.00 0.00 C ATOM 1184 O ALA A 86 -11.712 -0.925 8.782 1.00 0.00 O ATOM 1185 CB ALA A 86 -10.189 0.929 10.650 1.00 0.00 C ATOM 0 H ALA A 86 -9.148 1.140 8.427 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.947 -0.806 10.490 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.680 0.594 11.564 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.352 1.579 10.905 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.902 1.479 10.036 1.00 0.00 H new ATOM 1191 N GLY A 87 -10.793 -2.407 10.204 1.00 0.00 N ATOM 1192 CA GLY A 87 -11.832 -3.399 9.985 1.00 0.00 C ATOM 1193 C GLY A 87 -11.386 -4.502 9.044 1.00 0.00 C ATOM 1194 O GLY A 87 -12.007 -5.563 8.982 1.00 0.00 O ATOM 0 H GLY A 87 -10.067 -2.686 10.864 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -12.122 -3.835 10.941 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -12.717 -2.911 9.576 1.00 0.00 H new ATOM 1198 N LEU A 88 -10.308 -4.248 8.306 1.00 0.00 N ATOM 1199 CA LEU A 88 -9.772 -5.223 7.366 1.00 0.00 C ATOM 1200 C LEU A 88 -8.562 -5.944 7.948 1.00 0.00 C ATOM 1201 O LEU A 88 -8.750 -7.018 8.556 1.00 0.00 O ATOM 1202 CB LEU A 88 -9.396 -4.543 6.060 1.00 0.00 C ATOM 1203 CG LEU A 88 -10.557 -4.311 5.116 1.00 0.00 C ATOM 1204 CD1 LEU A 88 -11.216 -2.966 5.380 1.00 0.00 C ATOM 1205 CD2 LEU A 88 -10.054 -4.411 3.707 1.00 0.00 C ATOM 1206 OXT LEU A 88 -7.434 -5.427 7.795 1.00 0.00 O ATOM 0 H LEU A 88 -9.788 -3.371 8.343 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.547 -5.964 7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.930 -3.584 6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.647 -5.150 5.552 1.00 0.00 H new ATOM 0 HG LEU A 88 -11.322 -5.071 5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -12.046 -2.826 4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -11.588 -2.938 6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -10.486 -2.169 5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -10.879 -4.246 3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.284 -3.657 3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -9.633 -5.402 3.541 1.00 0.00 H new TER 1218 LEU A 88