USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 908 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 94 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 109 THR OG1 : rot -150:sc= -0.202 USER MOD Set 1.3: A 112 HIS : no HE2:sc= -1.25 K(o=-1.5,f=-7.8!) USER MOD Set 2.1: A 61 THR OG1 : rot 133:sc= -2.91! USER MOD Set 2.2: A 62 HIS :FLIP no HE2:sc= -6.15! C(o=-9.8!,f=-9.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0845 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 50:sc= 1.24 USER MOD Single : A 15 SER OG : rot 46:sc= 0.315 USER MOD Single : A 17 GLN : amide:sc= -0.0535 K(o=-0.054,f=-1.5!) USER MOD Single : A 20 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0073) USER MOD Single : A 22 GLN : amide:sc=-0.00738 X(o=-0.0074,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -140:sc= -0.0298 (180deg=-1.48) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00391 USER MOD Single : A 42 MET CE :methyl -159:sc= -1.89! (180deg=-2.65) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.21) USER MOD Single : A 57 SER OG : rot 44:sc= 0.62 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.2) USER MOD Single : A 68 ASN : amide:sc= -1.47 K(o=-1.5,f=-4.6!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.11 USER MOD Single : A 78 GLN : amide:sc=-0.00254 X(o=-0.0025,f=-0.35) USER MOD Single : A 80 GLN : amide:sc= -8.55! C(o=-8.6!,f=-8.8!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.407 K(o=-0.41,f=-3.2!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 99 CYS SG : rot 170:sc= -10.1! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -4.17! C(o=-4.2!,f=-4!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.871 0.531 -39.599 1.00 0.00 N ATOM 2 CA GLY A 1 4.946 0.187 -38.190 1.00 0.00 C ATOM 3 C GLY A 1 3.907 -0.877 -37.829 1.00 0.00 C ATOM 4 O GLY A 1 3.992 -2.014 -38.290 1.00 0.00 O ATOM 0 H1 GLY A 1 5.585 1.254 -39.818 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.049 -0.317 -40.173 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.924 0.903 -39.816 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.945 -0.180 -37.954 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.784 1.079 -37.585 1.00 0.00 H new ATOM 8 N SER A 2 2.950 -0.470 -37.008 1.00 0.00 N ATOM 9 CA SER A 2 1.896 -1.374 -36.581 1.00 0.00 C ATOM 10 C SER A 2 0.529 -0.721 -36.794 1.00 0.00 C ATOM 11 O SER A 2 0.445 0.418 -37.249 1.00 0.00 O ATOM 12 CB SER A 2 2.072 -1.771 -35.114 1.00 0.00 C ATOM 13 OG SER A 2 1.747 -3.140 -34.888 1.00 0.00 O ATOM 0 H SER A 2 2.883 0.474 -36.627 1.00 0.00 H new ATOM 0 HA SER A 2 1.957 -2.280 -37.184 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.103 -1.588 -34.810 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.439 -1.140 -34.489 1.00 0.00 H new ATOM 0 HG SER A 2 1.874 -3.354 -33.940 1.00 0.00 H new ATOM 19 N SER A 3 -0.509 -1.471 -36.454 1.00 0.00 N ATOM 20 CA SER A 3 -1.868 -0.980 -36.602 1.00 0.00 C ATOM 21 C SER A 3 -2.482 -0.716 -35.225 1.00 0.00 C ATOM 22 O SER A 3 -3.051 -1.618 -34.612 1.00 0.00 O ATOM 23 CB SER A 3 -2.730 -1.972 -37.386 1.00 0.00 C ATOM 24 OG SER A 3 -4.047 -1.475 -37.609 1.00 0.00 O ATOM 0 H SER A 3 -0.436 -2.416 -36.076 1.00 0.00 H new ATOM 0 HA SER A 3 -1.835 -0.046 -37.163 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.256 -2.186 -38.344 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.786 -2.914 -36.841 1.00 0.00 H new ATOM 0 HG SER A 3 -4.565 -2.136 -38.114 1.00 0.00 H new ATOM 30 N GLY A 4 -2.345 0.524 -34.780 1.00 0.00 N ATOM 31 CA GLY A 4 -2.879 0.919 -33.487 1.00 0.00 C ATOM 32 C GLY A 4 -3.748 2.172 -33.612 1.00 0.00 C ATOM 33 O GLY A 4 -3.490 3.029 -34.457 1.00 0.00 O ATOM 0 H GLY A 4 -1.872 1.269 -35.292 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.469 0.103 -33.069 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.060 1.108 -32.794 1.00 0.00 H new ATOM 37 N SER A 5 -4.759 2.240 -32.759 1.00 0.00 N ATOM 38 CA SER A 5 -5.666 3.375 -32.763 1.00 0.00 C ATOM 39 C SER A 5 -6.636 3.274 -31.583 1.00 0.00 C ATOM 40 O SER A 5 -6.588 2.313 -30.816 1.00 0.00 O ATOM 41 CB SER A 5 -6.440 3.457 -34.080 1.00 0.00 C ATOM 42 OG SER A 5 -7.236 2.297 -34.304 1.00 0.00 O ATOM 0 H SER A 5 -4.970 1.528 -32.060 1.00 0.00 H new ATOM 0 HA SER A 5 -5.075 4.285 -32.663 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.080 4.339 -34.070 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.739 3.581 -34.905 1.00 0.00 H new ATOM 0 HG SER A 5 -7.716 2.389 -35.154 1.00 0.00 H new ATOM 48 N SER A 6 -7.493 4.278 -31.475 1.00 0.00 N ATOM 49 CA SER A 6 -8.472 4.314 -30.402 1.00 0.00 C ATOM 50 C SER A 6 -9.745 5.017 -30.879 1.00 0.00 C ATOM 51 O SER A 6 -9.861 5.371 -32.051 1.00 0.00 O ATOM 52 CB SER A 6 -7.909 5.018 -29.166 1.00 0.00 C ATOM 53 OG SER A 6 -8.094 4.246 -27.982 1.00 0.00 O ATOM 0 H SER A 6 -7.530 5.073 -32.113 1.00 0.00 H new ATOM 0 HA SER A 6 -8.713 3.288 -30.124 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.846 5.211 -29.311 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.395 5.986 -29.047 1.00 0.00 H new ATOM 0 HG SER A 6 -7.720 4.728 -27.215 1.00 0.00 H new ATOM 59 N GLY A 7 -10.668 5.197 -29.946 1.00 0.00 N ATOM 60 CA GLY A 7 -11.928 5.851 -30.256 1.00 0.00 C ATOM 61 C GLY A 7 -12.505 6.544 -29.020 1.00 0.00 C ATOM 62 O GLY A 7 -13.690 6.407 -28.723 1.00 0.00 O ATOM 0 H GLY A 7 -10.569 4.901 -28.975 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.776 6.582 -31.050 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.640 5.116 -30.631 1.00 0.00 H new ATOM 66 N THR A 8 -11.639 7.275 -28.332 1.00 0.00 N ATOM 67 CA THR A 8 -12.047 7.990 -27.135 1.00 0.00 C ATOM 68 C THR A 8 -13.072 9.072 -27.483 1.00 0.00 C ATOM 69 O THR A 8 -13.518 9.164 -28.626 1.00 0.00 O ATOM 70 CB THR A 8 -10.789 8.539 -26.460 1.00 0.00 C ATOM 71 OG1 THR A 8 -10.008 9.044 -27.539 1.00 0.00 O ATOM 72 CG2 THR A 8 -9.920 7.435 -25.855 1.00 0.00 C ATOM 0 H THR A 8 -10.656 7.387 -28.581 1.00 0.00 H new ATOM 0 HA THR A 8 -12.548 7.327 -26.430 1.00 0.00 H new ATOM 0 HB THR A 8 -11.075 9.244 -25.680 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.173 9.421 -27.190 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.040 7.879 -25.389 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.493 6.891 -25.104 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.606 6.747 -26.640 1.00 0.00 H new ATOM 80 N GLY A 9 -13.414 9.863 -26.478 1.00 0.00 N ATOM 81 CA GLY A 9 -14.377 10.935 -26.663 1.00 0.00 C ATOM 82 C GLY A 9 -15.372 10.986 -25.502 1.00 0.00 C ATOM 83 O GLY A 9 -15.476 10.036 -24.727 1.00 0.00 O ATOM 0 H GLY A 9 -13.041 9.783 -25.532 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.854 11.888 -26.741 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.914 10.788 -27.600 1.00 0.00 H new ATOM 87 N ALA A 10 -16.077 12.104 -25.417 1.00 0.00 N ATOM 88 CA ALA A 10 -17.060 12.291 -24.363 1.00 0.00 C ATOM 89 C ALA A 10 -16.350 12.308 -23.007 1.00 0.00 C ATOM 90 O ALA A 10 -15.910 11.268 -22.521 1.00 0.00 O ATOM 91 CB ALA A 10 -18.120 11.192 -24.453 1.00 0.00 C ATOM 0 H ALA A 10 -15.987 12.890 -26.061 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.571 13.247 -24.479 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.857 11.332 -23.663 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.614 11.242 -25.423 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.645 10.218 -24.337 1.00 0.00 H new ATOM 97 N LEU A 11 -16.262 13.500 -22.436 1.00 0.00 N ATOM 98 CA LEU A 11 -15.614 13.666 -21.147 1.00 0.00 C ATOM 99 C LEU A 11 -15.487 15.158 -20.833 1.00 0.00 C ATOM 100 O LEU A 11 -14.906 15.912 -21.611 1.00 0.00 O ATOM 101 CB LEU A 11 -14.281 12.915 -21.116 1.00 0.00 C ATOM 102 CG LEU A 11 -14.176 11.775 -20.102 1.00 0.00 C ATOM 103 CD1 LEU A 11 -13.091 10.777 -20.509 1.00 0.00 C ATOM 104 CD2 LEU A 11 -13.955 12.317 -18.688 1.00 0.00 C ATOM 0 H LEU A 11 -16.629 14.360 -22.843 1.00 0.00 H new ATOM 0 HA LEU A 11 -16.220 13.224 -20.356 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.092 12.509 -22.110 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.487 13.633 -20.909 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.123 11.236 -20.096 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.037 9.977 -19.771 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.332 10.355 -21.485 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.129 11.287 -20.562 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.884 11.486 -17.987 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.031 12.895 -18.660 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.792 12.957 -18.409 1.00 0.00 H new ATOM 116 N MET A 12 -16.040 15.539 -19.690 1.00 0.00 N ATOM 117 CA MET A 12 -15.995 16.927 -19.264 1.00 0.00 C ATOM 118 C MET A 12 -14.553 17.389 -19.051 1.00 0.00 C ATOM 119 O MET A 12 -13.618 16.603 -19.193 1.00 0.00 O ATOM 120 CB MET A 12 -16.781 17.086 -17.960 1.00 0.00 C ATOM 121 CG MET A 12 -16.116 16.310 -16.822 1.00 0.00 C ATOM 122 SD MET A 12 -17.066 14.846 -16.445 1.00 0.00 S ATOM 123 CE MET A 12 -15.880 13.953 -15.455 1.00 0.00 C ATOM 0 H MET A 12 -16.521 14.911 -19.047 1.00 0.00 H new ATOM 0 HA MET A 12 -16.441 17.542 -20.045 1.00 0.00 H new ATOM 0 HB2 MET A 12 -16.845 18.142 -17.696 1.00 0.00 H new ATOM 0 HB3 MET A 12 -17.802 16.730 -18.100 1.00 0.00 H new ATOM 0 HG2 MET A 12 -15.101 16.032 -17.105 1.00 0.00 H new ATOM 0 HG3 MET A 12 -16.039 16.941 -15.937 1.00 0.00 H new ATOM 0 HE1 MET A 12 -16.314 13.006 -15.133 1.00 0.00 H new ATOM 0 HE2 MET A 12 -14.985 13.760 -16.046 1.00 0.00 H new ATOM 0 HE3 MET A 12 -15.616 14.547 -14.580 1.00 0.00 H new ATOM 133 N ALA A 13 -14.417 18.663 -18.713 1.00 0.00 N ATOM 134 CA ALA A 13 -13.104 19.240 -18.479 1.00 0.00 C ATOM 135 C ALA A 13 -13.260 20.569 -17.737 1.00 0.00 C ATOM 136 O ALA A 13 -13.147 21.636 -18.338 1.00 0.00 O ATOM 137 CB ALA A 13 -12.371 19.399 -19.812 1.00 0.00 C ATOM 0 H ALA A 13 -15.195 19.312 -18.596 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.502 18.582 -17.853 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.386 19.832 -19.636 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.259 18.423 -20.285 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.944 20.056 -20.466 1.00 0.00 H new ATOM 143 N SER A 14 -13.518 20.461 -16.442 1.00 0.00 N ATOM 144 CA SER A 14 -13.691 21.641 -15.612 1.00 0.00 C ATOM 145 C SER A 14 -13.931 21.228 -14.159 1.00 0.00 C ATOM 146 O SER A 14 -14.922 21.631 -13.551 1.00 0.00 O ATOM 147 CB SER A 14 -14.848 22.504 -16.117 1.00 0.00 C ATOM 148 OG SER A 14 -14.402 23.534 -16.995 1.00 0.00 O ATOM 0 H SER A 14 -13.611 19.574 -15.947 1.00 0.00 H new ATOM 0 HA SER A 14 -12.779 22.235 -15.668 1.00 0.00 H new ATOM 0 HB2 SER A 14 -15.571 21.874 -16.635 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.365 22.950 -15.268 1.00 0.00 H new ATOM 0 HG SER A 14 -13.816 23.149 -17.680 1.00 0.00 H new ATOM 154 N SER A 15 -13.008 20.430 -13.643 1.00 0.00 N ATOM 155 CA SER A 15 -13.107 19.958 -12.273 1.00 0.00 C ATOM 156 C SER A 15 -11.785 19.320 -11.842 1.00 0.00 C ATOM 157 O SER A 15 -10.957 18.971 -12.682 1.00 0.00 O ATOM 158 CB SER A 15 -14.254 18.957 -12.116 1.00 0.00 C ATOM 159 OG SER A 15 -15.413 19.559 -11.547 1.00 0.00 O ATOM 0 H SER A 15 -12.187 20.098 -14.150 1.00 0.00 H new ATOM 0 HA SER A 15 -13.317 20.814 -11.632 1.00 0.00 H new ATOM 0 HB2 SER A 15 -14.505 18.537 -13.090 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.929 18.129 -11.486 1.00 0.00 H new ATOM 0 HG SER A 15 -15.587 20.416 -11.990 1.00 0.00 H new ATOM 165 N PRO A 16 -11.623 19.185 -10.498 1.00 0.00 N ATOM 166 CA PRO A 16 -10.416 18.595 -9.945 1.00 0.00 C ATOM 167 C PRO A 16 -10.410 17.077 -10.134 1.00 0.00 C ATOM 168 O PRO A 16 -10.290 16.328 -9.166 1.00 0.00 O ATOM 169 CB PRO A 16 -10.408 19.012 -8.484 1.00 0.00 C ATOM 170 CG PRO A 16 -11.835 19.423 -8.160 1.00 0.00 C ATOM 171 CD PRO A 16 -12.582 19.587 -9.474 1.00 0.00 C ATOM 0 HA PRO A 16 -9.512 18.938 -10.448 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.084 18.191 -7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.716 19.838 -8.317 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.318 18.669 -7.538 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.845 20.356 -7.596 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -13.476 18.964 -9.502 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -12.907 20.617 -9.619 1.00 0.00 H new ATOM 179 N GLN A 17 -10.541 16.668 -11.388 1.00 0.00 N ATOM 180 CA GLN A 17 -10.553 15.253 -11.716 1.00 0.00 C ATOM 181 C GLN A 17 -9.843 15.011 -13.050 1.00 0.00 C ATOM 182 O GLN A 17 -10.483 14.675 -14.045 1.00 0.00 O ATOM 183 CB GLN A 17 -11.983 14.710 -11.750 1.00 0.00 C ATOM 184 CG GLN A 17 -12.539 14.541 -10.334 1.00 0.00 C ATOM 185 CD GLN A 17 -12.072 13.223 -9.715 1.00 0.00 C ATOM 186 OE1 GLN A 17 -11.374 12.432 -10.328 1.00 0.00 O ATOM 187 NE2 GLN A 17 -12.494 13.031 -8.468 1.00 0.00 N ATOM 0 H GLN A 17 -10.640 17.292 -12.189 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.013 14.715 -10.937 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -12.620 15.389 -12.316 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.000 13.751 -12.268 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.215 15.374 -9.711 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -13.628 14.568 -10.362 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.076 13.734 -8.013 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.235 12.181 -7.967 1.00 0.00 H new ATOM 196 N ASP A 18 -8.531 15.193 -13.026 1.00 0.00 N ATOM 197 CA ASP A 18 -7.728 14.999 -14.221 1.00 0.00 C ATOM 198 C ASP A 18 -6.543 14.088 -13.892 1.00 0.00 C ATOM 199 O ASP A 18 -5.504 14.557 -13.432 1.00 0.00 O ATOM 200 CB ASP A 18 -7.172 16.329 -14.734 1.00 0.00 C ATOM 201 CG ASP A 18 -7.740 16.792 -16.077 1.00 0.00 C ATOM 202 OD1 ASP A 18 -7.993 15.906 -16.922 1.00 0.00 O ATOM 203 OD2 ASP A 18 -7.908 18.021 -16.229 1.00 0.00 O ATOM 0 H ASP A 18 -8.004 15.473 -12.198 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.365 14.555 -14.986 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.368 17.099 -13.988 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.089 16.242 -14.825 1.00 0.00 H new ATOM 208 N ILE A 19 -6.740 12.801 -14.140 1.00 0.00 N ATOM 209 CA ILE A 19 -5.701 11.821 -13.876 1.00 0.00 C ATOM 210 C ILE A 19 -4.379 12.311 -14.470 1.00 0.00 C ATOM 211 O ILE A 19 -4.306 12.624 -15.657 1.00 0.00 O ATOM 212 CB ILE A 19 -6.127 10.440 -14.380 1.00 0.00 C ATOM 213 CG1 ILE A 19 -7.500 10.053 -13.827 1.00 0.00 C ATOM 214 CG2 ILE A 19 -5.063 9.388 -14.061 1.00 0.00 C ATOM 215 CD1 ILE A 19 -7.645 8.533 -13.735 1.00 0.00 C ATOM 0 H ILE A 19 -7.604 12.415 -14.521 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.546 11.710 -12.803 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.219 10.486 -15.465 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.636 10.495 -12.840 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.282 10.458 -14.469 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.390 8.416 -14.430 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.125 9.662 -14.543 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.915 9.336 -12.982 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.630 8.285 -13.339 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.532 8.096 -14.727 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.877 8.134 -13.073 1.00 0.00 H new ATOM 227 N LYS A 20 -3.367 12.364 -13.616 1.00 0.00 N ATOM 228 CA LYS A 20 -2.052 12.812 -14.041 1.00 0.00 C ATOM 229 C LYS A 20 -1.190 11.595 -14.383 1.00 0.00 C ATOM 230 O LYS A 20 -0.466 11.602 -15.378 1.00 0.00 O ATOM 231 CB LYS A 20 -1.431 13.729 -12.985 1.00 0.00 C ATOM 232 CG LYS A 20 0.075 13.484 -12.864 1.00 0.00 C ATOM 233 CD LYS A 20 0.789 14.721 -12.315 1.00 0.00 C ATOM 234 CE LYS A 20 2.193 14.852 -12.908 1.00 0.00 C ATOM 235 NZ LYS A 20 2.125 15.395 -14.284 1.00 0.00 N ATOM 0 H LYS A 20 -3.432 12.104 -12.632 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.128 13.414 -14.947 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.614 14.770 -13.250 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.910 13.556 -12.021 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.257 12.633 -12.207 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.485 13.226 -13.841 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.208 15.614 -12.547 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.854 14.656 -11.229 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.799 15.507 -12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.682 13.878 -12.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.983 15.125 -14.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.289 15.010 -14.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.055 16.432 -14.245 1.00 0.00 H new ATOM 249 N PHE A 21 -1.295 10.579 -13.539 1.00 0.00 N ATOM 250 CA PHE A 21 -0.534 9.358 -13.739 1.00 0.00 C ATOM 251 C PHE A 21 -1.420 8.246 -14.305 1.00 0.00 C ATOM 252 O PHE A 21 -2.357 7.799 -13.646 1.00 0.00 O ATOM 253 CB PHE A 21 -0.009 8.928 -12.368 1.00 0.00 C ATOM 254 CG PHE A 21 0.674 10.050 -11.584 1.00 0.00 C ATOM 255 CD1 PHE A 21 2.010 10.264 -11.727 1.00 0.00 C ATOM 256 CD2 PHE A 21 -0.053 10.832 -10.743 1.00 0.00 C ATOM 257 CE1 PHE A 21 2.644 11.305 -10.999 1.00 0.00 C ATOM 258 CE2 PHE A 21 0.581 11.873 -10.015 1.00 0.00 C ATOM 259 CZ PHE A 21 1.916 12.088 -10.158 1.00 0.00 C ATOM 0 H PHE A 21 -1.896 10.577 -12.715 1.00 0.00 H new ATOM 0 HA PHE A 21 0.276 9.536 -14.447 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.839 8.539 -11.778 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.698 8.109 -12.501 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.588 9.642 -12.394 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.113 10.661 -10.629 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.704 11.475 -11.113 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.003 12.494 -9.347 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.398 12.880 -9.604 1.00 0.00 H new ATOM 269 N GLN A 22 -1.092 7.832 -15.520 1.00 0.00 N ATOM 270 CA GLN A 22 -1.847 6.781 -16.182 1.00 0.00 C ATOM 271 C GLN A 22 -1.144 5.433 -16.007 1.00 0.00 C ATOM 272 O GLN A 22 -1.346 4.517 -16.803 1.00 0.00 O ATOM 273 CB GLN A 22 -2.054 7.104 -17.663 1.00 0.00 C ATOM 274 CG GLN A 22 -2.986 8.305 -17.837 1.00 0.00 C ATOM 275 CD GLN A 22 -3.364 8.497 -19.307 1.00 0.00 C ATOM 276 OE1 GLN A 22 -2.528 8.730 -20.164 1.00 0.00 O ATOM 277 NE2 GLN A 22 -4.667 8.386 -19.549 1.00 0.00 N ATOM 0 H GLN A 22 -0.314 8.205 -16.064 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.831 6.719 -15.717 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.092 7.315 -18.131 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.473 6.237 -18.173 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.888 8.159 -17.242 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.499 9.205 -17.462 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.313 8.190 -18.784 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.021 8.497 -20.499 1.00 0.00 H new ATOM 286 N ASP A 23 -0.333 5.355 -14.962 1.00 0.00 N ATOM 287 CA ASP A 23 0.400 4.135 -14.674 1.00 0.00 C ATOM 288 C ASP A 23 0.825 4.136 -13.204 1.00 0.00 C ATOM 289 O ASP A 23 1.903 3.648 -12.866 1.00 0.00 O ATOM 290 CB ASP A 23 1.663 4.036 -15.531 1.00 0.00 C ATOM 291 CG ASP A 23 1.436 3.547 -16.963 1.00 0.00 C ATOM 292 OD1 ASP A 23 0.526 2.708 -17.139 1.00 0.00 O ATOM 293 OD2 ASP A 23 2.178 4.022 -17.850 1.00 0.00 O ATOM 0 H ASP A 23 -0.168 6.117 -14.305 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.252 3.290 -14.894 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.136 5.017 -15.569 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.365 3.362 -15.040 1.00 0.00 H new ATOM 298 N LEU A 24 -0.043 4.690 -12.370 1.00 0.00 N ATOM 299 CA LEU A 24 0.229 4.760 -10.945 1.00 0.00 C ATOM 300 C LEU A 24 -1.071 4.536 -10.170 1.00 0.00 C ATOM 301 O LEU A 24 -1.500 5.401 -9.407 1.00 0.00 O ATOM 302 CB LEU A 24 0.933 6.074 -10.598 1.00 0.00 C ATOM 303 CG LEU A 24 2.069 5.977 -9.578 1.00 0.00 C ATOM 304 CD1 LEU A 24 1.531 5.622 -8.190 1.00 0.00 C ATOM 305 CD2 LEU A 24 3.144 4.994 -10.045 1.00 0.00 C ATOM 0 H LEU A 24 -0.935 5.095 -12.654 1.00 0.00 H new ATOM 0 HA LEU A 24 0.917 3.968 -10.649 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.332 6.503 -11.517 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.188 6.773 -10.217 1.00 0.00 H new ATOM 0 HG LEU A 24 2.541 6.956 -9.499 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.359 5.559 -7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.832 6.392 -7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.018 4.661 -8.233 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.939 4.944 -9.301 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.703 4.005 -10.171 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.557 5.331 -10.996 1.00 0.00 H new ATOM 317 N VAL A 25 -1.662 3.372 -10.393 1.00 0.00 N ATOM 318 CA VAL A 25 -2.904 3.023 -9.725 1.00 0.00 C ATOM 319 C VAL A 25 -2.610 2.655 -8.269 1.00 0.00 C ATOM 320 O VAL A 25 -1.883 1.700 -8.002 1.00 0.00 O ATOM 321 CB VAL A 25 -3.616 1.907 -10.492 1.00 0.00 C ATOM 322 CG1 VAL A 25 -5.068 1.765 -10.033 1.00 0.00 C ATOM 323 CG2 VAL A 25 -3.539 2.143 -12.002 1.00 0.00 C ATOM 0 H VAL A 25 -1.304 2.658 -11.027 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.583 3.875 -9.714 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.103 0.971 -10.273 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.550 0.965 -10.594 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.092 1.527 -8.969 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.598 2.701 -10.208 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.053 1.335 -12.523 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.014 3.093 -12.247 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.495 2.169 -12.313 1.00 0.00 H new ATOM 333 N VAL A 26 -3.191 3.433 -7.367 1.00 0.00 N ATOM 334 CA VAL A 26 -3.000 3.200 -5.945 1.00 0.00 C ATOM 335 C VAL A 26 -4.307 2.690 -5.337 1.00 0.00 C ATOM 336 O VAL A 26 -5.324 3.382 -5.370 1.00 0.00 O ATOM 337 CB VAL A 26 -2.484 4.474 -5.272 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.416 4.301 -3.753 1.00 0.00 C ATOM 339 CG2 VAL A 26 -1.122 4.881 -5.839 1.00 0.00 C ATOM 0 H VAL A 26 -3.794 4.224 -7.593 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.244 2.432 -5.781 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.189 5.277 -5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.046 5.220 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.411 4.080 -3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.742 3.480 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.778 5.789 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.403 4.080 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.214 5.064 -6.910 1.00 0.00 H new ATOM 349 N PHE A 27 -4.238 1.483 -4.795 1.00 0.00 N ATOM 350 CA PHE A 27 -5.404 0.871 -4.179 1.00 0.00 C ATOM 351 C PHE A 27 -5.199 0.693 -2.673 1.00 0.00 C ATOM 352 O PHE A 27 -4.331 -0.067 -2.247 1.00 0.00 O ATOM 353 CB PHE A 27 -5.580 -0.505 -4.824 1.00 0.00 C ATOM 354 CG PHE A 27 -6.717 -1.333 -4.222 1.00 0.00 C ATOM 355 CD1 PHE A 27 -7.998 -1.125 -4.627 1.00 0.00 C ATOM 356 CD2 PHE A 27 -6.446 -2.278 -3.282 1.00 0.00 C ATOM 357 CE1 PHE A 27 -9.054 -1.894 -4.069 1.00 0.00 C ATOM 358 CE2 PHE A 27 -7.502 -3.047 -2.723 1.00 0.00 C ATOM 359 CZ PHE A 27 -8.783 -2.838 -3.128 1.00 0.00 C ATOM 0 H PHE A 27 -3.393 0.912 -4.769 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.279 1.505 -4.327 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.765 -0.374 -5.890 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.648 -1.062 -4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.213 -0.375 -5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.428 -2.444 -2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -10.071 -1.729 -4.392 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.287 -3.797 -1.977 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.586 -3.422 -2.702 1.00 0.00 H new ATOM 369 N ILE A 28 -6.013 1.408 -1.909 1.00 0.00 N ATOM 370 CA ILE A 28 -5.932 1.338 -0.460 1.00 0.00 C ATOM 371 C ILE A 28 -6.706 0.114 0.031 1.00 0.00 C ATOM 372 O ILE A 28 -7.707 -0.274 -0.569 1.00 0.00 O ATOM 373 CB ILE A 28 -6.399 2.654 0.166 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.423 3.789 -0.151 1.00 0.00 C ATOM 375 CG2 ILE A 28 -6.624 2.495 1.671 1.00 0.00 C ATOM 376 CD1 ILE A 28 -5.934 5.121 0.401 1.00 0.00 C ATOM 0 H ILE A 28 -6.731 2.038 -2.266 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.898 1.210 -0.141 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.358 2.922 -0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.446 3.564 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.287 3.866 -1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.955 3.444 2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.385 1.735 1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.692 2.192 2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.222 5.911 0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.899 5.355 -0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.045 5.048 1.483 1.00 0.00 H new ATOM 388 N LEU A 29 -6.214 -0.460 1.119 1.00 0.00 N ATOM 389 CA LEU A 29 -6.847 -1.632 1.699 1.00 0.00 C ATOM 390 C LEU A 29 -7.620 -1.222 2.954 1.00 0.00 C ATOM 391 O LEU A 29 -7.021 -0.934 3.989 1.00 0.00 O ATOM 392 CB LEU A 29 -5.814 -2.733 1.945 1.00 0.00 C ATOM 393 CG LEU A 29 -6.358 -4.054 2.492 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.007 -4.882 1.380 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.266 -4.836 3.226 1.00 0.00 C ATOM 0 H LEU A 29 -5.384 -0.135 1.614 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.571 -2.056 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.299 -2.936 1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.067 -2.354 2.643 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.136 -3.827 3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.385 -5.816 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.831 -4.320 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.267 -5.101 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.680 -5.771 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.449 -5.053 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.890 -4.242 4.059 1.00 0.00 H new ATOM 407 N GLU A 30 -8.938 -1.208 2.821 1.00 0.00 N ATOM 408 CA GLU A 30 -9.798 -0.837 3.931 1.00 0.00 C ATOM 409 C GLU A 30 -9.361 -1.562 5.206 1.00 0.00 C ATOM 410 O GLU A 30 -9.207 -0.940 6.256 1.00 0.00 O ATOM 411 CB GLU A 30 -11.265 -1.129 3.610 1.00 0.00 C ATOM 412 CG GLU A 30 -12.168 -0.768 4.791 1.00 0.00 C ATOM 413 CD GLU A 30 -12.696 -2.027 5.482 1.00 0.00 C ATOM 414 OE1 GLU A 30 -13.351 -2.827 4.779 1.00 0.00 O ATOM 415 OE2 GLU A 30 -12.434 -2.161 6.697 1.00 0.00 O ATOM 0 H GLU A 30 -9.431 -1.448 1.961 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.703 0.236 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.568 -0.562 2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.384 -2.185 3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.612 -0.162 5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.004 -0.162 4.442 1.00 0.00 H new ATOM 422 N LYS A 31 -9.175 -2.866 5.072 1.00 0.00 N ATOM 423 CA LYS A 31 -8.759 -3.682 6.201 1.00 0.00 C ATOM 424 C LYS A 31 -7.719 -2.917 7.022 1.00 0.00 C ATOM 425 O LYS A 31 -6.732 -2.426 6.477 1.00 0.00 O ATOM 426 CB LYS A 31 -8.277 -5.053 5.721 1.00 0.00 C ATOM 427 CG LYS A 31 -9.410 -5.827 5.045 1.00 0.00 C ATOM 428 CD LYS A 31 -9.337 -7.317 5.386 1.00 0.00 C ATOM 429 CE LYS A 31 -10.737 -7.924 5.496 1.00 0.00 C ATOM 430 NZ LYS A 31 -11.148 -8.024 6.914 1.00 0.00 N ATOM 0 H LYS A 31 -9.304 -3.378 4.200 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.604 -3.879 6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.450 -4.927 5.022 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.895 -5.625 6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.371 -5.424 5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.352 -5.694 3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.769 -7.842 4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.803 -7.453 6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.450 -7.310 4.947 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.748 -8.913 5.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.100 -8.438 6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.476 -8.629 7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.157 -7.076 7.341 1.00 0.00 H new ATOM 444 N LYS A 32 -7.977 -2.840 8.319 1.00 0.00 N ATOM 445 CA LYS A 32 -7.076 -2.143 9.221 1.00 0.00 C ATOM 446 C LYS A 32 -7.091 -0.648 8.896 1.00 0.00 C ATOM 447 O LYS A 32 -6.037 -0.033 8.740 1.00 0.00 O ATOM 448 CB LYS A 32 -5.680 -2.769 9.173 1.00 0.00 C ATOM 449 CG LYS A 32 -5.692 -4.182 9.761 1.00 0.00 C ATOM 450 CD LYS A 32 -5.105 -4.193 11.174 1.00 0.00 C ATOM 451 CE LYS A 32 -6.188 -4.478 12.216 1.00 0.00 C ATOM 452 NZ LYS A 32 -5.584 -4.668 13.553 1.00 0.00 N ATOM 0 H LYS A 32 -8.797 -3.249 8.767 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.413 -2.249 10.252 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.328 -2.803 8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.979 -2.146 9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.714 -4.561 9.785 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.118 -4.851 9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.323 -4.950 11.241 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.637 -3.231 11.385 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.899 -3.652 12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.747 -5.370 11.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.333 -4.860 14.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.923 -5.471 13.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.070 -3.806 13.827 1.00 0.00 H new ATOM 466 N MET A 33 -8.297 -0.108 8.803 1.00 0.00 N ATOM 467 CA MET A 33 -8.463 1.303 8.499 1.00 0.00 C ATOM 468 C MET A 33 -9.944 1.686 8.465 1.00 0.00 C ATOM 469 O MET A 33 -10.421 2.412 9.336 1.00 0.00 O ATOM 470 CB MET A 33 -7.824 1.613 7.143 1.00 0.00 C ATOM 471 CG MET A 33 -7.548 3.110 6.996 1.00 0.00 C ATOM 472 SD MET A 33 -7.209 3.503 5.288 1.00 0.00 S ATOM 473 CE MET A 33 -5.693 2.591 5.056 1.00 0.00 C ATOM 0 H MET A 33 -9.168 -0.622 8.933 1.00 0.00 H new ATOM 0 HA MET A 33 -7.974 1.883 9.282 1.00 0.00 H new ATOM 0 HB2 MET A 33 -6.893 1.056 7.040 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.484 1.281 6.342 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.407 3.683 7.346 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.700 3.395 7.619 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.003 3.180 4.453 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.241 2.384 6.026 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.908 1.651 4.547 1.00 0.00 H new ATOM 483 N GLY A 34 -10.630 1.181 7.451 1.00 0.00 N ATOM 484 CA GLY A 34 -12.047 1.461 7.292 1.00 0.00 C ATOM 485 C GLY A 34 -12.329 2.112 5.936 1.00 0.00 C ATOM 486 O GLY A 34 -11.465 2.129 5.060 1.00 0.00 O ATOM 0 H GLY A 34 -10.231 0.579 6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.616 0.536 7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.383 2.120 8.093 1.00 0.00 H new ATOM 490 N THR A 35 -13.541 2.631 5.805 1.00 0.00 N ATOM 491 CA THR A 35 -13.947 3.280 4.571 1.00 0.00 C ATOM 492 C THR A 35 -13.562 4.761 4.595 1.00 0.00 C ATOM 493 O THR A 35 -12.818 5.227 3.733 1.00 0.00 O ATOM 494 CB THR A 35 -15.448 3.046 4.385 1.00 0.00 C ATOM 495 OG1 THR A 35 -15.542 1.671 4.024 1.00 0.00 O ATOM 496 CG2 THR A 35 -16.011 3.790 3.172 1.00 0.00 C ATOM 0 H THR A 35 -14.255 2.615 6.533 1.00 0.00 H new ATOM 0 HA THR A 35 -13.428 2.855 3.712 1.00 0.00 H new ATOM 0 HB THR A 35 -15.979 3.363 5.283 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.482 1.433 3.886 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.079 3.590 3.086 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.851 4.861 3.296 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.504 3.450 2.269 1.00 0.00 H new ATOM 504 N THR A 36 -14.085 5.459 5.592 1.00 0.00 N ATOM 505 CA THR A 36 -13.805 6.877 5.740 1.00 0.00 C ATOM 506 C THR A 36 -12.346 7.173 5.385 1.00 0.00 C ATOM 507 O THR A 36 -12.066 7.791 4.360 1.00 0.00 O ATOM 508 CB THR A 36 -14.179 7.286 7.166 1.00 0.00 C ATOM 509 OG1 THR A 36 -15.580 7.041 7.242 1.00 0.00 O ATOM 510 CG2 THR A 36 -14.051 8.794 7.395 1.00 0.00 C ATOM 0 H THR A 36 -14.701 5.069 6.305 1.00 0.00 H new ATOM 0 HA THR A 36 -14.401 7.472 5.049 1.00 0.00 H new ATOM 0 HB THR A 36 -13.542 6.756 7.874 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.906 7.278 8.136 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.328 9.031 8.422 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.021 9.103 7.216 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.713 9.324 6.710 1.00 0.00 H new ATOM 518 N ARG A 37 -11.456 6.717 6.254 1.00 0.00 N ATOM 519 CA ARG A 37 -10.033 6.924 6.045 1.00 0.00 C ATOM 520 C ARG A 37 -9.626 6.450 4.649 1.00 0.00 C ATOM 521 O ARG A 37 -9.183 7.246 3.823 1.00 0.00 O ATOM 522 CB ARG A 37 -9.207 6.173 7.092 1.00 0.00 C ATOM 523 CG ARG A 37 -8.626 7.138 8.128 1.00 0.00 C ATOM 524 CD ARG A 37 -7.156 6.823 8.407 1.00 0.00 C ATOM 525 NE ARG A 37 -6.560 7.887 9.245 1.00 0.00 N ATOM 526 CZ ARG A 37 -6.757 8.003 10.565 1.00 0.00 C ATOM 527 NH1 ARG A 37 -7.536 7.121 11.206 1.00 0.00 N ATOM 528 NH2 ARG A 37 -6.176 9.002 11.244 1.00 0.00 N ATOM 0 H ARG A 37 -11.693 6.205 7.104 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.837 7.992 6.141 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.832 5.432 7.590 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.399 5.630 6.602 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.720 8.163 7.769 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.198 7.071 9.053 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.071 5.861 8.912 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.609 6.739 7.468 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.961 8.576 8.789 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.979 6.361 10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.686 7.209 12.211 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.584 9.674 10.756 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.326 9.090 12.249 1.00 0.00 H new ATOM 542 N ARG A 38 -9.792 5.154 4.427 1.00 0.00 N ATOM 543 CA ARG A 38 -9.447 4.564 3.145 1.00 0.00 C ATOM 544 C ARG A 38 -9.847 5.502 2.005 1.00 0.00 C ATOM 545 O ARG A 38 -9.005 5.908 1.206 1.00 0.00 O ATOM 546 CB ARG A 38 -10.144 3.215 2.955 1.00 0.00 C ATOM 547 CG ARG A 38 -10.024 2.735 1.507 1.00 0.00 C ATOM 548 CD ARG A 38 -10.701 1.376 1.322 1.00 0.00 C ATOM 549 NE ARG A 38 -11.168 1.229 -0.075 1.00 0.00 N ATOM 550 CZ ARG A 38 -12.355 1.663 -0.520 1.00 0.00 C ATOM 551 NH1 ARG A 38 -13.202 2.274 0.319 1.00 0.00 N ATOM 552 NH2 ARG A 38 -12.694 1.487 -1.804 1.00 0.00 N ATOM 0 H ARG A 38 -10.161 4.496 5.114 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.368 4.408 3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.703 2.476 3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.196 3.304 3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.479 3.466 0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.972 2.662 1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.002 0.576 1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.544 1.284 2.007 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.547 0.768 -0.741 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.943 2.409 1.296 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.106 2.604 -0.020 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.049 1.023 -2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.598 1.817 -2.143 1.00 0.00 H new ATOM 566 N ALA A 39 -11.133 5.819 1.965 1.00 0.00 N ATOM 567 CA ALA A 39 -11.655 6.702 0.936 1.00 0.00 C ATOM 568 C ALA A 39 -10.902 8.034 0.983 1.00 0.00 C ATOM 569 O ALA A 39 -10.314 8.454 -0.012 1.00 0.00 O ATOM 570 CB ALA A 39 -13.162 6.877 1.129 1.00 0.00 C ATOM 0 H ALA A 39 -11.829 5.480 2.629 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.502 6.271 -0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.553 7.539 0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.653 5.907 1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.355 7.310 2.111 1.00 0.00 H new ATOM 576 N LEU A 40 -10.946 8.661 2.149 1.00 0.00 N ATOM 577 CA LEU A 40 -10.276 9.936 2.339 1.00 0.00 C ATOM 578 C LEU A 40 -8.900 9.888 1.673 1.00 0.00 C ATOM 579 O LEU A 40 -8.671 10.554 0.664 1.00 0.00 O ATOM 580 CB LEU A 40 -10.228 10.300 3.824 1.00 0.00 C ATOM 581 CG LEU A 40 -9.202 11.364 4.221 1.00 0.00 C ATOM 582 CD1 LEU A 40 -7.801 10.759 4.334 1.00 0.00 C ATOM 583 CD2 LEU A 40 -9.239 12.549 3.254 1.00 0.00 C ATOM 0 H LEU A 40 -11.435 8.310 2.972 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.837 10.737 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.217 10.647 4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.021 9.394 4.393 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.468 11.745 5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.091 11.536 4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.803 9.976 5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.510 10.334 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.500 13.291 3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.011 12.203 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.232 12.999 3.268 1.00 0.00 H new ATOM 595 N LEU A 41 -8.019 9.094 2.264 1.00 0.00 N ATOM 596 CA LEU A 41 -6.671 8.951 1.740 1.00 0.00 C ATOM 597 C LEU A 41 -6.731 8.822 0.217 1.00 0.00 C ATOM 598 O LEU A 41 -6.120 9.611 -0.501 1.00 0.00 O ATOM 599 CB LEU A 41 -5.950 7.790 2.428 1.00 0.00 C ATOM 600 CG LEU A 41 -5.239 8.125 3.741 1.00 0.00 C ATOM 601 CD1 LEU A 41 -4.553 9.490 3.660 1.00 0.00 C ATOM 602 CD2 LEU A 41 -6.205 8.038 4.925 1.00 0.00 C ATOM 0 H LEU A 41 -8.212 8.543 3.100 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.080 9.840 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.677 7.001 2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.215 7.382 1.734 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.459 7.382 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.055 9.704 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.816 9.480 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.298 10.260 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.675 8.281 5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.023 8.744 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.607 7.027 4.993 1.00 0.00 H new ATOM 614 N MET A 42 -7.474 7.820 -0.231 1.00 0.00 N ATOM 615 CA MET A 42 -7.623 7.577 -1.656 1.00 0.00 C ATOM 616 C MET A 42 -7.950 8.873 -2.402 1.00 0.00 C ATOM 617 O MET A 42 -7.388 9.141 -3.462 1.00 0.00 O ATOM 618 CB MET A 42 -8.741 6.559 -1.887 1.00 0.00 C ATOM 619 CG MET A 42 -8.240 5.132 -1.652 1.00 0.00 C ATOM 620 SD MET A 42 -9.190 3.983 -2.632 1.00 0.00 S ATOM 621 CE MET A 42 -10.831 4.635 -2.371 1.00 0.00 C ATOM 0 H MET A 42 -7.979 7.167 0.368 1.00 0.00 H new ATOM 0 HA MET A 42 -6.680 7.187 -2.039 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.575 6.771 -1.217 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.119 6.653 -2.905 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.184 5.060 -1.914 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.324 4.878 -0.595 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.568 3.861 -2.583 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.933 4.959 -1.335 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.995 5.484 -3.035 1.00 0.00 H new ATOM 631 N GLU A 43 -8.857 9.641 -1.817 1.00 0.00 N ATOM 632 CA GLU A 43 -9.266 10.902 -2.413 1.00 0.00 C ATOM 633 C GLU A 43 -8.109 11.903 -2.382 1.00 0.00 C ATOM 634 O GLU A 43 -7.896 12.640 -3.343 1.00 0.00 O ATOM 635 CB GLU A 43 -10.500 11.467 -1.708 1.00 0.00 C ATOM 636 CG GLU A 43 -10.500 12.997 -1.745 1.00 0.00 C ATOM 637 CD GLU A 43 -11.888 13.553 -1.422 1.00 0.00 C ATOM 638 OE1 GLU A 43 -12.368 13.266 -0.304 1.00 0.00 O ATOM 639 OE2 GLU A 43 -12.438 14.253 -2.300 1.00 0.00 O ATOM 0 H GLU A 43 -9.320 9.415 -0.937 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.535 10.720 -3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.403 11.088 -2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.521 11.125 -0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.774 13.382 -1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.187 13.341 -2.731 1.00 0.00 H new ATOM 646 N LEU A 44 -7.393 11.897 -1.267 1.00 0.00 N ATOM 647 CA LEU A 44 -6.264 12.796 -1.098 1.00 0.00 C ATOM 648 C LEU A 44 -5.236 12.529 -2.199 1.00 0.00 C ATOM 649 O LEU A 44 -4.706 13.463 -2.798 1.00 0.00 O ATOM 650 CB LEU A 44 -5.694 12.680 0.317 1.00 0.00 C ATOM 651 CG LEU A 44 -6.688 12.896 1.460 1.00 0.00 C ATOM 652 CD1 LEU A 44 -5.974 13.386 2.721 1.00 0.00 C ATOM 653 CD2 LEU A 44 -7.815 13.840 1.036 1.00 0.00 C ATOM 0 H LEU A 44 -7.573 11.284 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.583 13.833 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.251 11.690 0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.886 13.404 0.423 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.146 11.937 1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.703 13.532 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.238 12.645 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.472 14.330 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.507 13.976 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.394 14.805 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.347 13.412 0.186 1.00 0.00 H new ATOM 665 N ALA A 45 -4.986 11.249 -2.433 1.00 0.00 N ATOM 666 CA ALA A 45 -4.030 10.847 -3.451 1.00 0.00 C ATOM 667 C ALA A 45 -4.551 11.268 -4.827 1.00 0.00 C ATOM 668 O ALA A 45 -3.796 11.784 -5.650 1.00 0.00 O ATOM 669 CB ALA A 45 -3.786 9.340 -3.356 1.00 0.00 C ATOM 0 H ALA A 45 -5.429 10.477 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.072 11.342 -3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.069 9.039 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.390 9.097 -2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.725 8.809 -3.511 1.00 0.00 H new ATOM 675 N ARG A 46 -5.838 11.032 -5.035 1.00 0.00 N ATOM 676 CA ARG A 46 -6.469 11.380 -6.297 1.00 0.00 C ATOM 677 C ARG A 46 -6.217 12.853 -6.628 1.00 0.00 C ATOM 678 O ARG A 46 -5.751 13.176 -7.719 1.00 0.00 O ATOM 679 CB ARG A 46 -7.977 11.126 -6.247 1.00 0.00 C ATOM 680 CG ARG A 46 -8.285 9.631 -6.342 1.00 0.00 C ATOM 681 CD ARG A 46 -9.254 9.342 -7.491 1.00 0.00 C ATOM 682 NE ARG A 46 -9.829 7.987 -7.339 1.00 0.00 N ATOM 683 CZ ARG A 46 -10.856 7.693 -6.529 1.00 0.00 C ATOM 684 NH1 ARG A 46 -11.426 8.657 -5.793 1.00 0.00 N ATOM 685 NH2 ARG A 46 -11.312 6.435 -6.455 1.00 0.00 N ATOM 0 H ARG A 46 -6.461 10.604 -4.351 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.032 10.750 -7.072 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.386 11.527 -5.320 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.466 11.654 -7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.360 9.074 -6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.716 9.284 -5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.051 10.085 -7.501 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.733 9.420 -8.445 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.418 7.229 -7.885 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.078 9.614 -5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.207 8.433 -5.177 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.878 5.701 -7.015 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.093 6.211 -5.839 1.00 0.00 H new ATOM 699 N ARG A 47 -6.537 13.706 -5.665 1.00 0.00 N ATOM 700 CA ARG A 47 -6.351 15.136 -5.841 1.00 0.00 C ATOM 701 C ARG A 47 -4.937 15.429 -6.345 1.00 0.00 C ATOM 702 O ARG A 47 -4.738 16.333 -7.155 1.00 0.00 O ATOM 703 CB ARG A 47 -6.583 15.887 -4.528 1.00 0.00 C ATOM 704 CG ARG A 47 -8.054 15.818 -4.110 1.00 0.00 C ATOM 705 CD ARG A 47 -8.422 16.997 -3.207 1.00 0.00 C ATOM 706 NE ARG A 47 -8.721 18.190 -4.029 1.00 0.00 N ATOM 707 CZ ARG A 47 -8.747 19.443 -3.554 1.00 0.00 C ATOM 708 NH1 ARG A 47 -8.490 19.674 -2.260 1.00 0.00 N ATOM 709 NH2 ARG A 47 -9.028 20.465 -4.374 1.00 0.00 N ATOM 0 H ARG A 47 -6.924 13.434 -4.761 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.080 15.478 -6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.958 15.459 -3.744 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.282 16.928 -4.642 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.688 15.822 -4.996 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.244 14.881 -3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.287 16.741 -2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.601 17.213 -2.524 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.920 18.050 -5.020 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.274 18.896 -1.636 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.510 20.628 -1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.222 20.289 -5.360 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.048 21.419 -4.012 1.00 0.00 H new ATOM 723 N LYS A 48 -3.991 14.649 -5.845 1.00 0.00 N ATOM 724 CA LYS A 48 -2.601 14.814 -6.235 1.00 0.00 C ATOM 725 C LYS A 48 -2.454 14.507 -7.727 1.00 0.00 C ATOM 726 O LYS A 48 -1.549 15.020 -8.383 1.00 0.00 O ATOM 727 CB LYS A 48 -1.690 13.969 -5.341 1.00 0.00 C ATOM 728 CG LYS A 48 -1.851 14.359 -3.870 1.00 0.00 C ATOM 729 CD LYS A 48 -1.190 15.709 -3.585 1.00 0.00 C ATOM 730 CE LYS A 48 -1.626 16.256 -2.225 1.00 0.00 C ATOM 731 NZ LYS A 48 -2.145 17.635 -2.363 1.00 0.00 N ATOM 0 H LYS A 48 -4.159 13.901 -5.173 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.285 15.847 -6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.927 12.913 -5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.652 14.102 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.910 14.408 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.407 13.592 -3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.106 15.599 -3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.454 16.420 -4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.395 15.613 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.782 16.246 -1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.437 17.991 -1.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.401 18.249 -2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.963 17.635 -3.005 1.00 0.00 H new ATOM 745 N GLY A 49 -3.358 13.673 -8.219 1.00 0.00 N ATOM 746 CA GLY A 49 -3.341 13.293 -9.621 1.00 0.00 C ATOM 747 C GLY A 49 -3.335 11.771 -9.776 1.00 0.00 C ATOM 748 O GLY A 49 -3.727 11.248 -10.818 1.00 0.00 O ATOM 0 H GLY A 49 -4.107 13.250 -7.671 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.213 13.710 -10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.460 13.715 -10.105 1.00 0.00 H new ATOM 752 N PHE A 50 -2.885 11.102 -8.724 1.00 0.00 N ATOM 753 CA PHE A 50 -2.823 9.651 -8.730 1.00 0.00 C ATOM 754 C PHE A 50 -4.138 9.048 -9.227 1.00 0.00 C ATOM 755 O PHE A 50 -5.175 9.709 -9.209 1.00 0.00 O ATOM 756 CB PHE A 50 -2.587 9.207 -7.285 1.00 0.00 C ATOM 757 CG PHE A 50 -1.111 9.146 -6.886 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.192 8.647 -7.756 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.718 9.591 -5.663 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.178 8.590 -7.386 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.652 9.534 -5.293 1.00 0.00 C ATOM 762 CZ PHE A 50 1.571 9.035 -6.162 1.00 0.00 C ATOM 0 H PHE A 50 -2.560 11.539 -7.862 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.026 9.316 -9.394 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.106 9.893 -6.616 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.033 8.223 -7.141 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.504 8.294 -8.728 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.448 9.988 -4.973 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.908 8.193 -8.076 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.964 9.887 -4.321 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.613 8.992 -5.881 1.00 0.00 H new ATOM 772 N ARG A 51 -4.053 7.799 -9.661 1.00 0.00 N ATOM 773 CA ARG A 51 -5.224 7.099 -10.162 1.00 0.00 C ATOM 774 C ARG A 51 -5.697 6.058 -9.145 1.00 0.00 C ATOM 775 O ARG A 51 -5.435 4.867 -9.303 1.00 0.00 O ATOM 776 CB ARG A 51 -4.922 6.402 -11.491 1.00 0.00 C ATOM 777 CG ARG A 51 -6.139 5.621 -11.989 1.00 0.00 C ATOM 778 CD ARG A 51 -5.789 4.792 -13.226 1.00 0.00 C ATOM 779 NE ARG A 51 -6.398 5.399 -14.431 1.00 0.00 N ATOM 780 CZ ARG A 51 -6.366 4.843 -15.650 1.00 0.00 C ATOM 781 NH1 ARG A 51 -5.756 3.664 -15.833 1.00 0.00 N ATOM 782 NH2 ARG A 51 -6.945 5.466 -16.686 1.00 0.00 N ATOM 0 H ARG A 51 -3.191 7.254 -9.676 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.009 7.839 -10.322 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.631 7.142 -12.236 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.077 5.725 -11.367 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.503 4.965 -11.198 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.947 6.313 -12.227 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.707 4.738 -13.343 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.148 3.770 -13.103 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.872 6.296 -14.327 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.316 3.190 -15.044 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.732 3.241 -16.761 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.410 6.363 -16.547 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.921 5.043 -17.614 1.00 0.00 H new ATOM 796 N VAL A 52 -6.385 6.547 -8.123 1.00 0.00 N ATOM 797 CA VAL A 52 -6.897 5.674 -7.080 1.00 0.00 C ATOM 798 C VAL A 52 -8.176 4.994 -7.573 1.00 0.00 C ATOM 799 O VAL A 52 -8.879 5.531 -8.427 1.00 0.00 O ATOM 800 CB VAL A 52 -7.101 6.467 -5.788 1.00 0.00 C ATOM 801 CG1 VAL A 52 -7.575 5.556 -4.654 1.00 0.00 C ATOM 802 CG2 VAL A 52 -5.823 7.212 -5.394 1.00 0.00 C ATOM 0 H VAL A 52 -6.600 7.536 -7.995 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.178 4.887 -6.852 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.879 7.208 -5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.712 6.145 -3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.521 5.092 -4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.830 4.781 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.995 7.768 -4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.017 6.495 -5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.546 7.905 -6.189 1.00 0.00 H new ATOM 812 N GLU A 53 -8.439 3.823 -7.012 1.00 0.00 N ATOM 813 CA GLU A 53 -9.621 3.064 -7.383 1.00 0.00 C ATOM 814 C GLU A 53 -10.382 2.622 -6.132 1.00 0.00 C ATOM 815 O GLU A 53 -9.775 2.324 -5.104 1.00 0.00 O ATOM 816 CB GLU A 53 -9.249 1.861 -8.253 1.00 0.00 C ATOM 817 CG GLU A 53 -8.385 2.288 -9.440 1.00 0.00 C ATOM 818 CD GLU A 53 -9.241 2.902 -10.549 1.00 0.00 C ATOM 819 OE1 GLU A 53 -9.752 2.113 -11.373 1.00 0.00 O ATOM 820 OE2 GLU A 53 -9.365 4.146 -10.549 1.00 0.00 O ATOM 0 H GLU A 53 -7.854 3.381 -6.303 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.273 3.709 -7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.711 1.127 -7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.155 1.375 -8.615 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.639 3.011 -9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.844 1.426 -9.829 1.00 0.00 H new ATOM 827 N ASN A 54 -11.701 2.593 -6.260 1.00 0.00 N ATOM 828 CA ASN A 54 -12.552 2.193 -5.152 1.00 0.00 C ATOM 829 C ASN A 54 -12.572 0.666 -5.057 1.00 0.00 C ATOM 830 O ASN A 54 -12.818 0.110 -3.987 1.00 0.00 O ATOM 831 CB ASN A 54 -13.989 2.673 -5.360 1.00 0.00 C ATOM 832 CG ASN A 54 -14.284 3.909 -4.508 1.00 0.00 C ATOM 833 OD1 ASN A 54 -14.036 5.038 -4.898 1.00 0.00 O ATOM 834 ND2 ASN A 54 -14.825 3.633 -3.324 1.00 0.00 N ATOM 0 H ASN A 54 -12.201 2.840 -7.114 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.152 2.638 -4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.149 2.906 -6.413 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.684 1.874 -5.101 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.058 4.390 -2.681 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.007 2.665 -3.060 1.00 0.00 H new ATOM 841 N GLU A 55 -12.312 0.031 -6.190 1.00 0.00 N ATOM 842 CA GLU A 55 -12.297 -1.421 -6.247 1.00 0.00 C ATOM 843 C GLU A 55 -11.023 -1.913 -6.937 1.00 0.00 C ATOM 844 O GLU A 55 -10.504 -1.251 -7.835 1.00 0.00 O ATOM 845 CB GLU A 55 -13.544 -1.954 -6.956 1.00 0.00 C ATOM 846 CG GLU A 55 -13.623 -1.434 -8.392 1.00 0.00 C ATOM 847 CD GLU A 55 -14.425 -2.390 -9.278 1.00 0.00 C ATOM 848 OE1 GLU A 55 -15.577 -2.688 -8.895 1.00 0.00 O ATOM 849 OE2 GLU A 55 -13.867 -2.802 -10.318 1.00 0.00 O ATOM 0 H GLU A 55 -12.110 0.495 -7.076 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.306 -1.805 -5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.526 -3.044 -6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.436 -1.652 -6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.088 -0.448 -8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.617 -1.316 -8.796 1.00 0.00 H new ATOM 856 N LEU A 56 -10.555 -3.069 -6.491 1.00 0.00 N ATOM 857 CA LEU A 56 -9.351 -3.657 -7.054 1.00 0.00 C ATOM 858 C LEU A 56 -9.584 -3.965 -8.535 1.00 0.00 C ATOM 859 O LEU A 56 -10.726 -4.081 -8.976 1.00 0.00 O ATOM 860 CB LEU A 56 -8.914 -4.872 -6.234 1.00 0.00 C ATOM 861 CG LEU A 56 -7.765 -5.696 -6.817 1.00 0.00 C ATOM 862 CD1 LEU A 56 -6.447 -4.922 -6.753 1.00 0.00 C ATOM 863 CD2 LEU A 56 -7.663 -7.059 -6.129 1.00 0.00 C ATOM 0 H LEU A 56 -10.988 -3.615 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.522 -2.952 -7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.622 -4.530 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.776 -5.527 -6.105 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.978 -5.882 -7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.647 -5.531 -7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.539 -3.998 -7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.215 -4.685 -5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.838 -7.625 -6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.485 -6.916 -5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.594 -7.609 -6.271 1.00 0.00 H new ATOM 875 N SER A 57 -8.483 -4.090 -9.261 1.00 0.00 N ATOM 876 CA SER A 57 -8.552 -4.383 -10.682 1.00 0.00 C ATOM 877 C SER A 57 -7.171 -4.785 -11.202 1.00 0.00 C ATOM 878 O SER A 57 -6.240 -4.972 -10.420 1.00 0.00 O ATOM 879 CB SER A 57 -9.085 -3.182 -11.466 1.00 0.00 C ATOM 880 OG SER A 57 -10.491 -3.269 -11.686 1.00 0.00 O ATOM 0 H SER A 57 -7.537 -3.994 -8.891 1.00 0.00 H new ATOM 0 HA SER A 57 -9.243 -5.214 -10.826 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.859 -2.265 -10.922 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.571 -3.118 -12.425 1.00 0.00 H new ATOM 0 HG SER A 57 -10.934 -3.558 -10.861 1.00 0.00 H new ATOM 886 N ASP A 58 -7.081 -4.907 -12.518 1.00 0.00 N ATOM 887 CA ASP A 58 -5.829 -5.284 -13.151 1.00 0.00 C ATOM 888 C ASP A 58 -4.965 -4.036 -13.346 1.00 0.00 C ATOM 889 O ASP A 58 -3.779 -4.140 -13.654 1.00 0.00 O ATOM 890 CB ASP A 58 -6.073 -5.909 -14.526 1.00 0.00 C ATOM 891 CG ASP A 58 -6.636 -4.953 -15.580 1.00 0.00 C ATOM 892 OD1 ASP A 58 -7.870 -4.754 -15.564 1.00 0.00 O ATOM 893 OD2 ASP A 58 -5.820 -4.444 -16.378 1.00 0.00 O ATOM 0 H ASP A 58 -7.855 -4.751 -13.164 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.331 -6.010 -12.508 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.132 -6.319 -14.894 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.762 -6.746 -14.411 1.00 0.00 H new ATOM 898 N SER A 59 -5.594 -2.885 -13.158 1.00 0.00 N ATOM 899 CA SER A 59 -4.897 -1.619 -13.309 1.00 0.00 C ATOM 900 C SER A 59 -4.147 -1.277 -12.020 1.00 0.00 C ATOM 901 O SER A 59 -3.249 -0.437 -12.024 1.00 0.00 O ATOM 902 CB SER A 59 -5.870 -0.495 -13.671 1.00 0.00 C ATOM 903 OG SER A 59 -5.348 0.355 -14.689 1.00 0.00 O ATOM 0 H SER A 59 -6.578 -2.803 -12.903 1.00 0.00 H new ATOM 0 HA SER A 59 -4.179 -1.719 -14.123 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.813 -0.926 -14.007 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.088 0.096 -12.782 1.00 0.00 H new ATOM 0 HG SER A 59 -5.999 1.059 -14.893 1.00 0.00 H new ATOM 909 N VAL A 60 -4.544 -1.946 -10.947 1.00 0.00 N ATOM 910 CA VAL A 60 -3.921 -1.723 -9.653 1.00 0.00 C ATOM 911 C VAL A 60 -2.457 -2.163 -9.715 1.00 0.00 C ATOM 912 O VAL A 60 -2.167 -3.347 -9.880 1.00 0.00 O ATOM 913 CB VAL A 60 -4.715 -2.441 -8.560 1.00 0.00 C ATOM 914 CG1 VAL A 60 -3.946 -2.446 -7.237 1.00 0.00 C ATOM 915 CG2 VAL A 60 -6.100 -1.813 -8.386 1.00 0.00 C ATOM 0 H VAL A 60 -5.289 -2.642 -10.947 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.932 -0.663 -9.401 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.853 -3.476 -8.872 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.533 -2.962 -6.477 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.994 -2.959 -7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.763 -1.420 -6.919 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.644 -2.342 -7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.992 -0.765 -8.108 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.652 -1.884 -9.323 1.00 0.00 H new ATOM 925 N THR A 61 -1.573 -1.186 -9.579 1.00 0.00 N ATOM 926 CA THR A 61 -0.146 -1.457 -9.617 1.00 0.00 C ATOM 927 C THR A 61 0.468 -1.281 -8.227 1.00 0.00 C ATOM 928 O THR A 61 1.563 -1.774 -7.961 1.00 0.00 O ATOM 929 CB THR A 61 0.480 -0.548 -10.677 1.00 0.00 C ATOM 930 OG1 THR A 61 0.398 0.756 -10.109 1.00 0.00 O ATOM 931 CG2 THR A 61 -0.371 -0.456 -11.946 1.00 0.00 C ATOM 0 H THR A 61 -1.817 -0.205 -9.442 1.00 0.00 H new ATOM 0 HA THR A 61 0.052 -2.492 -9.897 1.00 0.00 H new ATOM 0 HB THR A 61 1.473 -0.918 -10.932 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.261 1.210 -10.206 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.118 0.201 -12.665 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.485 -1.449 -12.381 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.353 -0.054 -11.697 1.00 0.00 H new ATOM 939 N HIS A 62 -0.264 -0.577 -7.377 1.00 0.00 N ATOM 940 CA HIS A 62 0.194 -0.329 -6.020 1.00 0.00 C ATOM 941 C HIS A 62 -0.979 -0.470 -5.048 1.00 0.00 C ATOM 942 O HIS A 62 -1.996 0.207 -5.195 1.00 0.00 O ATOM 943 CB HIS A 62 0.887 1.031 -5.921 1.00 0.00 C ATOM 944 CG HIS A 62 1.818 1.332 -7.071 1.00 0.00 C ATOM 945 ND1 HIS A 62 3.140 1.046 -7.246 1.00 0.00 N flip ATOM 946 CD2 HIS A 62 1.410 2.004 -8.209 1.00 0.00 C flip ATOM 947 CE1 HIS A 62 3.518 1.517 -8.428 1.00 0.00 C flip ATOM 948 NE2 HIS A 62 2.447 2.112 -9.026 1.00 0.00 N flip ATOM 0 H HIS A 62 -1.172 -0.170 -7.601 1.00 0.00 H new ATOM 0 HA HIS A 62 0.941 -1.073 -5.743 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.128 1.811 -5.868 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.452 1.072 -4.990 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.737 0.554 -6.581 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.415 2.377 -8.399 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.511 1.441 -8.847 1.00 0.00 H new ATOM 956 N ILE A 63 -0.799 -1.352 -4.077 1.00 0.00 N ATOM 957 CA ILE A 63 -1.830 -1.590 -3.081 1.00 0.00 C ATOM 958 C ILE A 63 -1.343 -1.090 -1.719 1.00 0.00 C ATOM 959 O ILE A 63 -0.337 -1.572 -1.200 1.00 0.00 O ATOM 960 CB ILE A 63 -2.246 -3.062 -3.082 1.00 0.00 C ATOM 961 CG1 ILE A 63 -3.049 -3.404 -4.339 1.00 0.00 C ATOM 962 CG2 ILE A 63 -3.006 -3.418 -1.802 1.00 0.00 C ATOM 963 CD1 ILE A 63 -3.237 -4.916 -4.474 1.00 0.00 C ATOM 0 H ILE A 63 0.046 -1.911 -3.958 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.731 -1.027 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.343 -3.672 -3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.022 -2.915 -4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.535 -3.018 -5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.290 -4.470 -1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.368 -3.236 -0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.902 -2.802 -1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.811 -5.132 -5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.262 -5.399 -4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.772 -5.295 -3.603 1.00 0.00 H new ATOM 975 N VAL A 64 -2.078 -0.129 -1.180 1.00 0.00 N ATOM 976 CA VAL A 64 -1.734 0.442 0.111 1.00 0.00 C ATOM 977 C VAL A 64 -2.506 -0.290 1.210 1.00 0.00 C ATOM 978 O VAL A 64 -3.625 -0.749 0.987 1.00 0.00 O ATOM 979 CB VAL A 64 -1.993 1.950 0.102 1.00 0.00 C ATOM 980 CG1 VAL A 64 -1.463 2.605 1.379 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.386 2.603 -1.142 1.00 0.00 C ATOM 0 H VAL A 64 -2.911 0.269 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.672 0.309 0.316 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.071 2.105 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.660 3.677 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.962 2.170 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.389 2.436 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.584 3.675 -1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.309 2.433 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.831 2.167 -2.036 1.00 0.00 H new ATOM 991 N ALA A 65 -1.877 -0.378 2.373 1.00 0.00 N ATOM 992 CA ALA A 65 -2.491 -1.047 3.507 1.00 0.00 C ATOM 993 C ALA A 65 -1.904 -0.485 4.804 1.00 0.00 C ATOM 994 O ALA A 65 -0.773 -0.001 4.819 1.00 0.00 O ATOM 995 CB ALA A 65 -2.286 -2.558 3.381 1.00 0.00 C ATOM 0 H ALA A 65 -0.948 0.003 2.554 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.565 -0.864 3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.747 -3.060 4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.746 -2.912 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.219 -2.780 3.363 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.700 -0.567 5.860 1.00 0.00 N ATOM 1002 CA GLU A 66 -2.274 -0.073 7.158 1.00 0.00 C ATOM 1003 C GLU A 66 -2.268 -1.209 8.183 1.00 0.00 C ATOM 1004 O GLU A 66 -3.217 -1.987 8.258 1.00 0.00 O ATOM 1005 CB GLU A 66 -3.163 1.081 7.624 1.00 0.00 C ATOM 1006 CG GLU A 66 -2.715 1.601 8.992 1.00 0.00 C ATOM 1007 CD GLU A 66 -3.917 2.040 9.832 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -4.554 3.038 9.431 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -4.170 1.369 10.855 1.00 0.00 O ATOM 0 H GLU A 66 -3.638 -0.968 5.843 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.258 0.310 7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.127 1.890 6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.199 0.747 7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.164 0.822 9.519 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.033 2.441 8.860 1.00 0.00 H new ATOM 1016 N ASN A 67 -1.187 -1.268 8.947 1.00 0.00 N ATOM 1017 CA ASN A 67 -1.045 -2.296 9.964 1.00 0.00 C ATOM 1018 C ASN A 67 -1.179 -3.674 9.312 1.00 0.00 C ATOM 1019 O ASN A 67 -1.760 -4.587 9.898 1.00 0.00 O ATOM 1020 CB ASN A 67 -2.134 -2.170 11.031 1.00 0.00 C ATOM 1021 CG ASN A 67 -2.005 -0.848 11.791 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -1.015 -0.142 11.697 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -3.059 -0.555 12.548 1.00 0.00 N ATOM 0 H ASN A 67 -0.401 -0.621 8.882 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.067 -2.175 10.431 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.116 -2.230 10.562 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.062 -3.004 11.729 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.070 0.306 13.095 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.856 -1.191 12.581 1.00 0.00 H new ATOM 1030 N ASN A 68 -0.633 -3.781 8.110 1.00 0.00 N ATOM 1031 CA ASN A 68 -0.685 -5.032 7.373 1.00 0.00 C ATOM 1032 C ASN A 68 0.700 -5.338 6.799 1.00 0.00 C ATOM 1033 O ASN A 68 1.418 -4.431 6.383 1.00 0.00 O ATOM 1034 CB ASN A 68 -1.671 -4.943 6.206 1.00 0.00 C ATOM 1035 CG ASN A 68 -3.082 -5.335 6.650 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -3.434 -6.500 6.731 1.00 0.00 O ATOM 1037 ND2 ASN A 68 -3.867 -4.299 6.931 1.00 0.00 N ATOM 0 H ASN A 68 -0.152 -3.022 7.628 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.008 -5.815 8.059 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.680 -3.928 5.809 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.345 -5.598 5.399 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.828 -4.455 7.236 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.508 -3.348 6.842 1.00 0.00 H new ATOM 1044 N SER A 69 1.033 -6.621 6.796 1.00 0.00 N ATOM 1045 CA SER A 69 2.319 -7.058 6.280 1.00 0.00 C ATOM 1046 C SER A 69 2.178 -7.491 4.819 1.00 0.00 C ATOM 1047 O SER A 69 1.134 -8.005 4.419 1.00 0.00 O ATOM 1048 CB SER A 69 2.888 -8.204 7.120 1.00 0.00 C ATOM 1049 OG SER A 69 2.837 -7.919 8.515 1.00 0.00 O ATOM 0 H SER A 69 0.435 -7.371 7.142 1.00 0.00 H new ATOM 0 HA SER A 69 3.013 -6.220 6.338 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.328 -9.116 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.921 -8.391 6.826 1.00 0.00 H new ATOM 0 HG SER A 69 3.207 -8.675 9.017 1.00 0.00 H new ATOM 1055 N GLY A 70 3.242 -7.267 4.063 1.00 0.00 N ATOM 1056 CA GLY A 70 3.250 -7.627 2.656 1.00 0.00 C ATOM 1057 C GLY A 70 2.513 -8.948 2.424 1.00 0.00 C ATOM 1058 O GLY A 70 1.897 -9.143 1.377 1.00 0.00 O ATOM 0 H GLY A 70 4.105 -6.840 4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.779 -6.836 2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.278 -7.714 2.305 1.00 0.00 H new ATOM 1062 N SER A 71 2.600 -9.820 3.417 1.00 0.00 N ATOM 1063 CA SER A 71 1.949 -11.116 3.335 1.00 0.00 C ATOM 1064 C SER A 71 0.437 -10.954 3.500 1.00 0.00 C ATOM 1065 O SER A 71 -0.338 -11.462 2.691 1.00 0.00 O ATOM 1066 CB SER A 71 2.499 -12.077 4.391 1.00 0.00 C ATOM 1067 OG SER A 71 2.272 -11.601 5.715 1.00 0.00 O ATOM 0 H SER A 71 3.112 -9.654 4.283 1.00 0.00 H new ATOM 0 HA SER A 71 2.157 -11.541 2.353 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.030 -13.054 4.272 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.569 -12.215 4.234 1.00 0.00 H new ATOM 0 HG SER A 71 2.636 -12.243 6.360 1.00 0.00 H new ATOM 1073 N ASP A 72 0.062 -10.244 4.554 1.00 0.00 N ATOM 1074 CA ASP A 72 -1.344 -10.008 4.836 1.00 0.00 C ATOM 1075 C ASP A 72 -2.035 -9.500 3.570 1.00 0.00 C ATOM 1076 O ASP A 72 -3.169 -9.880 3.283 1.00 0.00 O ATOM 1077 CB ASP A 72 -1.517 -8.950 5.927 1.00 0.00 C ATOM 1078 CG ASP A 72 -1.414 -9.475 7.360 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -0.392 -10.134 7.651 1.00 0.00 O ATOM 1080 OD2 ASP A 72 -2.358 -9.205 8.133 1.00 0.00 O ATOM 0 H ASP A 72 0.707 -9.824 5.223 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.783 -10.947 5.173 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.762 -8.176 5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.489 -8.474 5.800 1.00 0.00 H new ATOM 1085 N VAL A 73 -1.323 -8.649 2.846 1.00 0.00 N ATOM 1086 CA VAL A 73 -1.854 -8.084 1.617 1.00 0.00 C ATOM 1087 C VAL A 73 -1.890 -9.168 0.538 1.00 0.00 C ATOM 1088 O VAL A 73 -2.872 -9.287 -0.194 1.00 0.00 O ATOM 1089 CB VAL A 73 -1.035 -6.859 1.207 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -1.628 -6.194 -0.037 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -0.926 -5.861 2.362 1.00 0.00 C ATOM 0 H VAL A 73 -0.382 -8.337 3.087 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.877 -7.738 1.766 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.029 -7.197 0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.027 -5.326 -0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.631 -6.905 -0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.650 -5.877 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.339 -4.999 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.923 -5.533 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.438 -6.339 3.211 1.00 0.00 H new ATOM 1101 N LEU A 74 -0.808 -9.930 0.473 1.00 0.00 N ATOM 1102 CA LEU A 74 -0.704 -10.999 -0.506 1.00 0.00 C ATOM 1103 C LEU A 74 -1.885 -11.956 -0.336 1.00 0.00 C ATOM 1104 O LEU A 74 -2.684 -12.131 -1.255 1.00 0.00 O ATOM 1105 CB LEU A 74 0.661 -11.684 -0.407 1.00 0.00 C ATOM 1106 CG LEU A 74 1.727 -11.199 -1.392 1.00 0.00 C ATOM 1107 CD1 LEU A 74 3.106 -11.749 -1.023 1.00 0.00 C ATOM 1108 CD2 LEU A 74 1.340 -11.543 -2.832 1.00 0.00 C ATOM 0 H LEU A 74 0.004 -9.829 1.082 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.761 -10.597 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.041 -11.548 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.520 -12.755 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 74 1.785 -10.113 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.845 -11.389 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.376 -11.412 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.081 -12.838 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.114 -11.187 -3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.237 -12.623 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.393 -11.064 -3.079 1.00 0.00 H new ATOM 1120 N GLU A 75 -1.959 -12.552 0.845 1.00 0.00 N ATOM 1121 CA GLU A 75 -3.029 -13.487 1.146 1.00 0.00 C ATOM 1122 C GLU A 75 -4.375 -12.919 0.690 1.00 0.00 C ATOM 1123 O GLU A 75 -5.221 -13.652 0.181 1.00 0.00 O ATOM 1124 CB GLU A 75 -3.056 -13.828 2.638 1.00 0.00 C ATOM 1125 CG GLU A 75 -1.733 -14.458 3.080 1.00 0.00 C ATOM 1126 CD GLU A 75 -1.972 -15.787 3.799 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -2.487 -15.732 4.937 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -1.635 -16.828 3.195 1.00 0.00 O ATOM 0 H GLU A 75 -1.295 -12.405 1.605 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.842 -14.411 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.244 -12.925 3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.877 -14.515 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.095 -14.620 2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.203 -13.773 3.741 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.529 -11.618 0.888 1.00 0.00 N ATOM 1136 CA TRP A 76 -5.757 -10.943 0.504 1.00 0.00 C ATOM 1137 C TRP A 76 -5.832 -10.934 -1.025 1.00 0.00 C ATOM 1138 O TRP A 76 -6.889 -11.189 -1.599 1.00 0.00 O ATOM 1139 CB TRP A 76 -5.828 -9.542 1.114 1.00 0.00 C ATOM 1140 CG TRP A 76 -6.941 -8.667 0.536 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.169 -8.458 1.032 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -6.879 -7.885 -0.675 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -8.899 -7.603 0.233 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -8.090 -7.243 -0.839 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -5.834 -7.725 -1.602 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -8.370 -6.398 -1.919 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -6.129 -6.878 -2.676 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -7.343 -6.224 -2.855 1.00 0.00 C ATOM 0 H TRP A 76 -3.824 -11.013 1.309 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.626 -11.473 0.893 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -5.973 -9.633 2.190 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.871 -9.042 0.962 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.540 -8.903 1.943 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -9.856 -7.292 0.398 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.879 -8.217 -1.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -9.326 -5.907 -2.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.360 -6.721 -3.418 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.493 -5.585 -3.712 1.00 0.00 H new ATOM 1159 N LEU A 77 -4.697 -10.636 -1.639 1.00 0.00 N ATOM 1160 CA LEU A 77 -4.621 -10.590 -3.089 1.00 0.00 C ATOM 1161 C LEU A 77 -5.262 -11.852 -3.670 1.00 0.00 C ATOM 1162 O LEU A 77 -6.137 -11.768 -4.530 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.176 -10.369 -3.543 1.00 0.00 C ATOM 1164 CG LEU A 77 -2.967 -9.301 -4.618 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.072 -9.361 -5.674 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -2.846 -7.910 -3.992 1.00 0.00 C ATOM 0 H LEU A 77 -3.822 -10.424 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.185 -9.740 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.579 -10.100 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.785 -11.315 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.026 -9.508 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.899 -8.591 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.067 -10.341 -6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.039 -9.193 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.698 -7.169 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.758 -7.678 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.996 -7.891 -3.310 1.00 0.00 H new ATOM 1178 N GLN A 78 -4.802 -12.992 -3.176 1.00 0.00 N ATOM 1179 CA GLN A 78 -5.320 -14.269 -3.635 1.00 0.00 C ATOM 1180 C GLN A 78 -6.821 -14.365 -3.356 1.00 0.00 C ATOM 1181 O GLN A 78 -7.555 -15.010 -4.103 1.00 0.00 O ATOM 1182 CB GLN A 78 -4.567 -15.432 -2.986 1.00 0.00 C ATOM 1183 CG GLN A 78 -3.092 -15.425 -3.393 1.00 0.00 C ATOM 1184 CD GLN A 78 -2.585 -16.846 -3.644 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -3.032 -17.808 -3.041 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -1.630 -16.925 -4.567 1.00 0.00 N ATOM 0 H GLN A 78 -4.076 -13.058 -2.462 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.165 -14.335 -4.712 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.649 -15.363 -1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.025 -16.376 -3.281 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.963 -14.825 -4.294 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.497 -14.956 -2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.301 -16.080 -5.034 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.227 -17.831 -4.807 1.00 0.00 H new ATOM 1195 N ALA A 79 -7.233 -13.713 -2.279 1.00 0.00 N ATOM 1196 CA ALA A 79 -8.634 -13.716 -1.892 1.00 0.00 C ATOM 1197 C ALA A 79 -9.445 -12.930 -2.924 1.00 0.00 C ATOM 1198 O ALA A 79 -10.636 -13.181 -3.105 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.775 -13.143 -0.480 1.00 0.00 C ATOM 0 H ALA A 79 -6.621 -13.179 -1.662 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.024 -14.733 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.826 -13.145 -0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.204 -13.754 0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.396 -12.121 -0.462 1.00 0.00 H new ATOM 1205 N GLN A 80 -8.769 -11.994 -3.573 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.412 -11.170 -4.582 1.00 0.00 C ATOM 1207 C GLN A 80 -9.757 -12.011 -5.813 1.00 0.00 C ATOM 1208 O GLN A 80 -10.831 -11.857 -6.393 1.00 0.00 O ATOM 1209 CB GLN A 80 -8.530 -9.979 -4.962 1.00 0.00 C ATOM 1210 CG GLN A 80 -8.193 -9.133 -3.733 1.00 0.00 C ATOM 1211 CD GLN A 80 -9.461 -8.745 -2.970 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -10.190 -7.840 -3.344 1.00 0.00 O ATOM 1213 NE2 GLN A 80 -9.683 -9.477 -1.882 1.00 0.00 N ATOM 0 H GLN A 80 -7.782 -11.788 -3.420 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.338 -10.775 -4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.610 -10.336 -5.426 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.042 -9.364 -5.702 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.525 -9.690 -3.076 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.660 -8.233 -4.041 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.033 -10.220 -1.626 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.504 -9.296 -1.304 1.00 0.00 H new ATOM 1222 N LYS A 81 -8.827 -12.881 -6.176 1.00 0.00 N ATOM 1223 CA LYS A 81 -9.020 -13.746 -7.327 1.00 0.00 C ATOM 1224 C LYS A 81 -9.117 -12.891 -8.592 1.00 0.00 C ATOM 1225 O LYS A 81 -9.509 -13.382 -9.649 1.00 0.00 O ATOM 1226 CB LYS A 81 -10.224 -14.665 -7.112 1.00 0.00 C ATOM 1227 CG LYS A 81 -10.648 -15.330 -8.423 1.00 0.00 C ATOM 1228 CD LYS A 81 -11.497 -16.575 -8.157 1.00 0.00 C ATOM 1229 CE LYS A 81 -12.365 -16.915 -9.370 1.00 0.00 C ATOM 1230 NZ LYS A 81 -12.138 -18.315 -9.793 1.00 0.00 N ATOM 0 H LYS A 81 -7.937 -13.006 -5.693 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.163 -14.407 -7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.975 -15.430 -6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.056 -14.090 -6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.214 -14.622 -9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.764 -15.605 -8.998 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.848 -17.419 -7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.131 -16.408 -7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.417 -16.769 -9.124 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.133 -16.238 -10.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.735 -18.530 -10.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.138 -18.443 -10.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.382 -18.957 -9.012 1.00 0.00 H new ATOM 1244 N VAL A 82 -8.753 -11.626 -8.442 1.00 0.00 N ATOM 1245 CA VAL A 82 -8.794 -10.697 -9.559 1.00 0.00 C ATOM 1246 C VAL A 82 -7.550 -10.895 -10.427 1.00 0.00 C ATOM 1247 O VAL A 82 -6.446 -11.059 -9.908 1.00 0.00 O ATOM 1248 CB VAL A 82 -8.942 -9.264 -9.043 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -8.726 -8.252 -10.169 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -10.303 -9.060 -8.375 1.00 0.00 C ATOM 0 H VAL A 82 -8.428 -11.222 -7.563 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.663 -10.893 -10.187 1.00 0.00 H new ATOM 0 HB VAL A 82 -8.172 -9.097 -8.290 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.837 -7.241 -9.776 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.724 -8.374 -10.580 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.463 -8.419 -10.954 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.382 -8.033 -8.017 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.096 -9.255 -9.097 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.402 -9.746 -7.534 1.00 0.00 H new ATOM 1260 N GLN A 83 -7.769 -10.873 -11.733 1.00 0.00 N ATOM 1261 CA GLN A 83 -6.679 -11.048 -12.678 1.00 0.00 C ATOM 1262 C GLN A 83 -5.869 -9.756 -12.799 1.00 0.00 C ATOM 1263 O GLN A 83 -6.428 -8.691 -13.059 1.00 0.00 O ATOM 1264 CB GLN A 83 -7.204 -11.497 -14.043 1.00 0.00 C ATOM 1265 CG GLN A 83 -7.813 -12.898 -13.963 1.00 0.00 C ATOM 1266 CD GLN A 83 -9.207 -12.926 -14.595 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -9.793 -11.905 -14.914 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -9.702 -14.150 -14.758 1.00 0.00 N ATOM 0 H GLN A 83 -8.685 -10.737 -12.160 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.021 -11.832 -12.303 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.954 -10.790 -14.398 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -6.391 -11.491 -14.769 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.164 -13.610 -14.473 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.875 -13.213 -12.921 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.158 -14.963 -14.469 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.626 -14.276 -15.172 1.00 0.00 H new ATOM 1277 N VAL A 84 -4.566 -9.891 -12.605 1.00 0.00 N ATOM 1278 CA VAL A 84 -3.674 -8.747 -12.690 1.00 0.00 C ATOM 1279 C VAL A 84 -2.540 -9.062 -13.668 1.00 0.00 C ATOM 1280 O VAL A 84 -1.873 -10.088 -13.542 1.00 0.00 O ATOM 1281 CB VAL A 84 -3.172 -8.370 -11.294 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -4.060 -7.294 -10.665 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -3.082 -9.603 -10.393 1.00 0.00 C ATOM 0 H VAL A 84 -4.106 -10.775 -12.389 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.204 -7.877 -13.076 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.168 -7.957 -11.398 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.682 -7.044 -9.674 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.051 -6.403 -11.292 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.080 -7.668 -10.580 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.723 -9.308 -9.407 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.068 -10.058 -10.299 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.391 -10.323 -10.830 1.00 0.00 H new ATOM 1293 N SER A 85 -2.355 -8.159 -14.620 1.00 0.00 N ATOM 1294 CA SER A 85 -1.313 -8.328 -15.619 1.00 0.00 C ATOM 1295 C SER A 85 0.045 -8.491 -14.935 1.00 0.00 C ATOM 1296 O SER A 85 0.994 -8.986 -15.542 1.00 0.00 O ATOM 1297 CB SER A 85 -1.281 -7.143 -16.587 1.00 0.00 C ATOM 1298 OG SER A 85 -1.892 -7.457 -17.835 1.00 0.00 O ATOM 0 H SER A 85 -2.909 -7.308 -14.721 1.00 0.00 H new ATOM 0 HA SER A 85 -1.533 -9.227 -16.195 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.793 -6.293 -16.136 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.248 -6.840 -16.755 1.00 0.00 H new ATOM 0 HG SER A 85 -1.853 -6.675 -18.424 1.00 0.00 H new ATOM 1304 N SER A 86 0.096 -8.066 -13.681 1.00 0.00 N ATOM 1305 CA SER A 86 1.323 -8.160 -12.908 1.00 0.00 C ATOM 1306 C SER A 86 1.054 -7.776 -11.452 1.00 0.00 C ATOM 1307 O SER A 86 0.522 -6.702 -11.177 1.00 0.00 O ATOM 1308 CB SER A 86 2.415 -7.266 -13.499 1.00 0.00 C ATOM 1309 OG SER A 86 3.628 -7.342 -12.754 1.00 0.00 O ATOM 0 H SER A 86 -0.693 -7.656 -13.181 1.00 0.00 H new ATOM 0 HA SER A 86 1.674 -9.191 -12.947 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.605 -7.560 -14.531 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.066 -6.233 -13.520 1.00 0.00 H new ATOM 0 HG SER A 86 4.301 -6.759 -13.164 1.00 0.00 H new ATOM 1315 N GLN A 87 1.434 -8.676 -10.557 1.00 0.00 N ATOM 1316 CA GLN A 87 1.241 -8.446 -9.135 1.00 0.00 C ATOM 1317 C GLN A 87 1.511 -6.979 -8.794 1.00 0.00 C ATOM 1318 O GLN A 87 2.536 -6.425 -9.187 1.00 0.00 O ATOM 1319 CB GLN A 87 2.128 -9.374 -8.303 1.00 0.00 C ATOM 1320 CG GLN A 87 1.371 -9.912 -7.087 1.00 0.00 C ATOM 1321 CD GLN A 87 2.138 -11.059 -6.427 1.00 0.00 C ATOM 1322 OE1 GLN A 87 3.266 -10.914 -5.986 1.00 0.00 O ATOM 1323 NE2 GLN A 87 1.465 -12.206 -6.385 1.00 0.00 N ATOM 0 H GLN A 87 1.875 -9.566 -10.789 1.00 0.00 H new ATOM 0 HA GLN A 87 0.204 -8.672 -8.888 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.470 -10.205 -8.920 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.016 -8.835 -7.974 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.218 -9.110 -6.365 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.384 -10.258 -7.393 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.523 -12.259 -6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.891 -13.032 -5.965 1.00 0.00 H new ATOM 1332 N PRO A 88 0.548 -6.376 -8.046 1.00 0.00 N ATOM 1333 CA PRO A 88 0.671 -4.984 -7.648 1.00 0.00 C ATOM 1334 C PRO A 88 1.694 -4.825 -6.521 1.00 0.00 C ATOM 1335 O PRO A 88 2.114 -5.810 -5.915 1.00 0.00 O ATOM 1336 CB PRO A 88 -0.732 -4.566 -7.240 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.493 -5.856 -6.982 1.00 0.00 C ATOM 1338 CD PRO A 88 -0.680 -7.001 -7.563 1.00 0.00 C ATOM 0 HA PRO A 88 1.044 -4.348 -8.451 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.709 -3.941 -6.347 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.210 -3.981 -8.026 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.647 -6.001 -5.913 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.480 -5.816 -7.443 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.468 -7.759 -6.809 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.216 -7.497 -8.372 1.00 0.00 H new ATOM 1346 N GLU A 89 2.065 -3.578 -6.273 1.00 0.00 N ATOM 1347 CA GLU A 89 3.031 -3.277 -5.230 1.00 0.00 C ATOM 1348 C GLU A 89 2.345 -3.255 -3.863 1.00 0.00 C ATOM 1349 O GLU A 89 1.235 -2.742 -3.729 1.00 0.00 O ATOM 1350 CB GLU A 89 3.744 -1.953 -5.508 1.00 0.00 C ATOM 1351 CG GLU A 89 5.163 -2.192 -6.025 1.00 0.00 C ATOM 1352 CD GLU A 89 5.930 -3.143 -5.104 1.00 0.00 C ATOM 1353 OE1 GLU A 89 5.708 -3.047 -3.878 1.00 0.00 O ATOM 1354 OE2 GLU A 89 6.721 -3.944 -5.647 1.00 0.00 O ATOM 0 H GLU A 89 1.714 -2.763 -6.777 1.00 0.00 H new ATOM 0 HA GLU A 89 3.786 -4.063 -5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.178 -1.378 -6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.781 -1.357 -4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.122 -2.609 -7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.693 -1.242 -6.095 1.00 0.00 H new ATOM 1361 N LEU A 90 3.034 -3.817 -2.881 1.00 0.00 N ATOM 1362 CA LEU A 90 2.505 -3.868 -1.528 1.00 0.00 C ATOM 1363 C LEU A 90 3.276 -2.884 -0.647 1.00 0.00 C ATOM 1364 O LEU A 90 4.405 -3.158 -0.244 1.00 0.00 O ATOM 1365 CB LEU A 90 2.517 -5.305 -1.002 1.00 0.00 C ATOM 1366 CG LEU A 90 1.455 -6.240 -1.583 1.00 0.00 C ATOM 1367 CD1 LEU A 90 0.998 -5.762 -2.963 1.00 0.00 C ATOM 1368 CD2 LEU A 90 1.956 -7.686 -1.614 1.00 0.00 C ATOM 0 H LEU A 90 3.955 -4.241 -2.995 1.00 0.00 H new ATOM 0 HA LEU A 90 1.460 -3.557 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.499 -5.735 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.394 -5.276 0.081 1.00 0.00 H new ATOM 0 HG LEU A 90 0.583 -6.215 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.243 -6.445 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.574 -4.761 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.851 -5.739 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.182 -8.330 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.852 -7.748 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.191 -8.011 -0.601 1.00 0.00 H new ATOM 1380 N LEU A 91 2.635 -1.757 -0.372 1.00 0.00 N ATOM 1381 CA LEU A 91 3.246 -0.731 0.455 1.00 0.00 C ATOM 1382 C LEU A 91 2.295 -0.369 1.598 1.00 0.00 C ATOM 1383 O LEU A 91 1.181 -0.886 1.670 1.00 0.00 O ATOM 1384 CB LEU A 91 3.663 0.468 -0.400 1.00 0.00 C ATOM 1385 CG LEU A 91 4.084 0.153 -1.837 1.00 0.00 C ATOM 1386 CD1 LEU A 91 3.641 1.262 -2.793 1.00 0.00 C ATOM 1387 CD2 LEU A 91 5.588 -0.112 -1.922 1.00 0.00 C ATOM 0 H LEU A 91 1.698 -1.532 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 91 4.164 -1.105 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.832 1.173 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.491 0.974 0.098 1.00 0.00 H new ATOM 0 HG LEU A 91 3.579 -0.761 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.952 1.014 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.556 1.359 -2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.099 2.205 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.861 -0.333 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.132 0.770 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.844 -0.962 -1.289 1.00 0.00 H new ATOM 1399 N ASP A 92 2.770 0.515 2.463 1.00 0.00 N ATOM 1400 CA ASP A 92 1.976 0.951 3.599 1.00 0.00 C ATOM 1401 C ASP A 92 1.469 2.372 3.346 1.00 0.00 C ATOM 1402 O ASP A 92 1.991 3.077 2.483 1.00 0.00 O ATOM 1403 CB ASP A 92 2.812 0.969 4.880 1.00 0.00 C ATOM 1404 CG ASP A 92 2.077 0.500 6.138 1.00 0.00 C ATOM 1405 OD1 ASP A 92 0.982 1.047 6.393 1.00 0.00 O ATOM 1406 OD2 ASP A 92 2.626 -0.395 6.816 1.00 0.00 O ATOM 0 H ASP A 92 3.695 0.941 2.400 1.00 0.00 H new ATOM 0 HA ASP A 92 1.147 0.254 3.719 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.689 0.338 4.733 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.174 1.984 5.046 1.00 0.00 H new ATOM 1411 N VAL A 93 0.458 2.751 4.113 1.00 0.00 N ATOM 1412 CA VAL A 93 -0.125 4.076 3.983 1.00 0.00 C ATOM 1413 C VAL A 93 0.987 5.125 4.031 1.00 0.00 C ATOM 1414 O VAL A 93 0.823 6.233 3.521 1.00 0.00 O ATOM 1415 CB VAL A 93 -1.193 4.286 5.058 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -0.580 4.220 6.459 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -1.934 5.607 4.845 1.00 0.00 C ATOM 0 H VAL A 93 0.027 2.164 4.827 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.627 4.179 3.021 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.919 3.478 4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.360 4.372 7.205 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.120 3.243 6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.177 4.997 6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.687 5.731 5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.225 6.434 4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.419 5.599 3.869 1.00 0.00 H new ATOM 1427 N SER A 94 2.094 4.740 4.650 1.00 0.00 N ATOM 1428 CA SER A 94 3.233 5.634 4.772 1.00 0.00 C ATOM 1429 C SER A 94 3.613 6.188 3.397 1.00 0.00 C ATOM 1430 O SER A 94 3.776 7.396 3.234 1.00 0.00 O ATOM 1431 CB SER A 94 4.428 4.919 5.405 1.00 0.00 C ATOM 1432 OG SER A 94 5.667 5.360 4.855 1.00 0.00 O ATOM 0 H SER A 94 2.226 3.821 5.072 1.00 0.00 H new ATOM 0 HA SER A 94 2.951 6.461 5.424 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.426 5.093 6.481 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.328 3.844 5.256 1.00 0.00 H new ATOM 0 HG SER A 94 6.405 4.881 5.286 1.00 0.00 H new ATOM 1438 N TRP A 95 3.743 5.277 2.443 1.00 0.00 N ATOM 1439 CA TRP A 95 4.101 5.659 1.088 1.00 0.00 C ATOM 1440 C TRP A 95 3.051 6.650 0.583 1.00 0.00 C ATOM 1441 O TRP A 95 3.366 7.805 0.300 1.00 0.00 O ATOM 1442 CB TRP A 95 4.242 4.429 0.190 1.00 0.00 C ATOM 1443 CG TRP A 95 4.624 4.753 -1.256 1.00 0.00 C ATOM 1444 CD1 TRP A 95 5.748 5.330 -1.702 1.00 0.00 C ATOM 1445 CD2 TRP A 95 3.831 4.494 -2.433 1.00 0.00 C ATOM 1446 NE1 TRP A 95 5.738 5.461 -3.076 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.535 4.937 -3.535 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.561 3.905 -2.563 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 4.051 4.837 -4.844 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 2.091 3.813 -3.879 1.00 0.00 C ATOM 1451 CH2 TRP A 95 2.787 4.254 -4.998 1.00 0.00 C ATOM 0 H TRP A 95 3.607 4.276 2.582 1.00 0.00 H new ATOM 0 HA TRP A 95 5.076 6.145 1.070 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.997 3.767 0.614 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.300 3.881 0.192 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.560 5.652 -1.066 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.477 5.868 -3.649 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.993 3.552 -1.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.622 5.190 -5.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.119 3.368 -4.035 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.355 4.148 -5.982 1.00 0.00 H new ATOM 1462 N LEU A 96 1.822 6.163 0.485 1.00 0.00 N ATOM 1463 CA LEU A 96 0.723 6.991 0.019 1.00 0.00 C ATOM 1464 C LEU A 96 0.792 8.356 0.707 1.00 0.00 C ATOM 1465 O LEU A 96 0.573 9.387 0.073 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.612 6.270 0.215 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.727 6.646 -0.763 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -2.657 7.697 -0.155 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -1.149 7.099 -2.105 1.00 0.00 C ATOM 0 H LEU A 96 1.564 5.205 0.721 1.00 0.00 H new ATOM 0 HA LEU A 96 0.808 7.169 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.437 5.197 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.963 6.466 1.228 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.328 5.757 -0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.441 7.947 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.109 7.301 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.085 8.594 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.962 7.360 -2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.511 7.969 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.561 6.290 -2.540 1.00 0.00 H new ATOM 1481 N ILE A 97 1.096 8.319 1.996 1.00 0.00 N ATOM 1482 CA ILE A 97 1.196 9.540 2.777 1.00 0.00 C ATOM 1483 C ILE A 97 2.255 10.452 2.156 1.00 0.00 C ATOM 1484 O ILE A 97 1.970 11.600 1.819 1.00 0.00 O ATOM 1485 CB ILE A 97 1.452 9.214 4.250 1.00 0.00 C ATOM 1486 CG1 ILE A 97 0.160 8.787 4.950 1.00 0.00 C ATOM 1487 CG2 ILE A 97 2.128 10.388 4.962 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.404 8.523 6.437 1.00 0.00 C ATOM 0 H ILE A 97 1.276 7.462 2.519 1.00 0.00 H new ATOM 0 HA ILE A 97 0.252 10.085 2.754 1.00 0.00 H new ATOM 0 HB ILE A 97 2.139 8.369 4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.595 9.565 4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.234 7.887 4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.299 10.130 6.007 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.082 10.605 4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.485 11.267 4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.530 8.221 6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.141 7.728 6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.775 9.431 6.912 1.00 0.00 H new ATOM 1500 N GLU A 98 3.456 9.907 2.024 1.00 0.00 N ATOM 1501 CA GLU A 98 4.559 10.658 1.449 1.00 0.00 C ATOM 1502 C GLU A 98 4.236 11.055 0.007 1.00 0.00 C ATOM 1503 O GLU A 98 4.420 12.209 -0.379 1.00 0.00 O ATOM 1504 CB GLU A 98 5.861 9.859 1.519 1.00 0.00 C ATOM 1505 CG GLU A 98 6.459 9.906 2.927 1.00 0.00 C ATOM 1506 CD GLU A 98 7.547 10.977 3.025 1.00 0.00 C ATOM 1507 OE1 GLU A 98 7.279 12.104 2.556 1.00 0.00 O ATOM 1508 OE2 GLU A 98 8.623 10.644 3.568 1.00 0.00 O ATOM 0 H GLU A 98 3.689 8.955 2.305 1.00 0.00 H new ATOM 0 HA GLU A 98 4.698 11.568 2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.672 8.824 1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.577 10.261 0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.673 10.114 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.878 8.932 3.181 1.00 0.00 H new ATOM 1515 N CYS A 99 3.761 10.077 -0.750 1.00 0.00 N ATOM 1516 CA CYS A 99 3.412 10.310 -2.141 1.00 0.00 C ATOM 1517 C CYS A 99 2.420 11.474 -2.199 1.00 0.00 C ATOM 1518 O CYS A 99 2.459 12.282 -3.125 1.00 0.00 O ATOM 1519 CB CYS A 99 2.851 9.050 -2.803 1.00 0.00 C ATOM 1520 SG CYS A 99 3.924 7.616 -2.427 1.00 0.00 S ATOM 0 H CYS A 99 3.610 9.122 -0.426 1.00 0.00 H new ATOM 0 HA CYS A 99 4.309 10.569 -2.704 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.839 8.861 -2.445 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.786 9.194 -3.882 1.00 0.00 H new ATOM 0 HG CYS A 99 3.340 6.523 -2.818 1.00 0.00 H new ATOM 1526 N ILE A 100 1.554 11.522 -1.197 1.00 0.00 N ATOM 1527 CA ILE A 100 0.554 12.573 -1.122 1.00 0.00 C ATOM 1528 C ILE A 100 1.253 13.926 -0.973 1.00 0.00 C ATOM 1529 O ILE A 100 1.021 14.839 -1.765 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.453 12.276 -0.010 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.504 11.266 -0.477 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -1.090 13.565 0.513 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -2.235 10.645 0.715 1.00 0.00 C ATOM 0 H ILE A 100 1.525 10.850 -0.430 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.026 12.613 -2.044 1.00 0.00 H new ATOM 0 HB ILE A 100 0.083 11.821 0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.222 11.760 -1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.025 10.482 -1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.802 13.325 1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.314 14.219 0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.609 14.071 -0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.976 9.931 0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.517 10.132 1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.733 11.429 1.285 1.00 0.00 H new ATOM 1545 N GLY A 101 2.094 14.013 0.046 1.00 0.00 N ATOM 1546 CA GLY A 101 2.828 15.239 0.309 1.00 0.00 C ATOM 1547 C GLY A 101 3.787 15.561 -0.839 1.00 0.00 C ATOM 1548 O GLY A 101 4.171 16.714 -1.027 1.00 0.00 O ATOM 0 H GLY A 101 2.284 13.254 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.128 16.064 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.388 15.139 1.239 1.00 0.00 H new ATOM 1552 N ALA A 102 4.145 14.521 -1.578 1.00 0.00 N ATOM 1553 CA ALA A 102 5.052 14.678 -2.702 1.00 0.00 C ATOM 1554 C ALA A 102 4.244 15.001 -3.961 1.00 0.00 C ATOM 1555 O ALA A 102 4.753 15.638 -4.883 1.00 0.00 O ATOM 1556 CB ALA A 102 5.895 13.411 -2.860 1.00 0.00 C ATOM 0 H ALA A 102 3.823 13.566 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 102 5.739 15.506 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.575 13.529 -3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.471 13.241 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.240 12.558 -3.039 1.00 0.00 H new ATOM 1562 N GLY A 103 3.000 14.547 -3.960 1.00 0.00 N ATOM 1563 CA GLY A 103 2.117 14.780 -5.090 1.00 0.00 C ATOM 1564 C GLY A 103 2.526 13.924 -6.291 1.00 0.00 C ATOM 1565 O GLY A 103 2.085 14.170 -7.412 1.00 0.00 O ATOM 0 H GLY A 103 2.582 14.019 -3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.090 14.549 -4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.143 15.834 -5.365 1.00 0.00 H new ATOM 1569 N LYS A 104 3.364 12.936 -6.014 1.00 0.00 N ATOM 1570 CA LYS A 104 3.838 12.042 -7.057 1.00 0.00 C ATOM 1571 C LYS A 104 4.189 10.686 -6.440 1.00 0.00 C ATOM 1572 O LYS A 104 4.058 10.497 -5.232 1.00 0.00 O ATOM 1573 CB LYS A 104 4.992 12.683 -7.830 1.00 0.00 C ATOM 1574 CG LYS A 104 6.329 12.427 -7.132 1.00 0.00 C ATOM 1575 CD LYS A 104 7.421 12.085 -8.148 1.00 0.00 C ATOM 1576 CE LYS A 104 8.784 12.599 -7.682 1.00 0.00 C ATOM 1577 NZ LYS A 104 9.810 11.542 -7.816 1.00 0.00 N ATOM 0 H LYS A 104 3.727 12.735 -5.082 1.00 0.00 H new ATOM 0 HA LYS A 104 3.053 11.865 -7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.024 12.281 -8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.823 13.756 -7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.621 13.309 -6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.221 11.609 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.465 11.005 -8.290 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.174 12.524 -9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.072 13.470 -8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.721 12.923 -6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.729 11.908 -7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.542 10.722 -7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.881 11.252 -8.812 1.00 0.00 H new ATOM 1591 N PRO A 105 4.642 9.754 -7.321 1.00 0.00 N ATOM 1592 CA PRO A 105 5.013 8.422 -6.876 1.00 0.00 C ATOM 1593 C PRO A 105 6.361 8.442 -6.152 1.00 0.00 C ATOM 1594 O PRO A 105 7.365 7.975 -6.688 1.00 0.00 O ATOM 1595 CB PRO A 105 5.029 7.575 -8.138 1.00 0.00 C ATOM 1596 CG PRO A 105 5.123 8.555 -9.296 1.00 0.00 C ATOM 1597 CD PRO A 105 4.810 9.942 -8.759 1.00 0.00 C ATOM 0 HA PRO A 105 4.314 8.012 -6.147 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.876 6.889 -8.137 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.127 6.968 -8.212 1.00 0.00 H new ATOM 0 HG2 PRO A 105 6.120 8.532 -9.736 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.421 8.283 -10.084 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.617 10.642 -8.975 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.906 10.348 -9.213 1.00 0.00 H new ATOM 1605 N VAL A 106 6.340 8.987 -4.945 1.00 0.00 N ATOM 1606 CA VAL A 106 7.548 9.074 -4.142 1.00 0.00 C ATOM 1607 C VAL A 106 8.275 7.728 -4.174 1.00 0.00 C ATOM 1608 O VAL A 106 7.812 6.784 -4.812 1.00 0.00 O ATOM 1609 CB VAL A 106 7.202 9.533 -2.724 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.225 8.357 -1.746 1.00 0.00 C ATOM 1611 CG2 VAL A 106 8.143 10.648 -2.263 1.00 0.00 C ATOM 0 H VAL A 106 5.506 9.373 -4.503 1.00 0.00 H new ATOM 0 HA VAL A 106 8.227 9.820 -4.554 1.00 0.00 H new ATOM 0 HB VAL A 106 6.189 9.935 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.976 8.711 -0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.496 7.609 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 106 8.220 7.912 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.875 10.956 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 106 9.170 10.284 -2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.055 11.500 -2.937 1.00 0.00 H new ATOM 1621 N GLU A 107 9.401 7.683 -3.477 1.00 0.00 N ATOM 1622 CA GLU A 107 10.196 6.468 -3.418 1.00 0.00 C ATOM 1623 C GLU A 107 9.500 5.420 -2.547 1.00 0.00 C ATOM 1624 O GLU A 107 8.643 5.756 -1.731 1.00 0.00 O ATOM 1625 CB GLU A 107 11.606 6.761 -2.902 1.00 0.00 C ATOM 1626 CG GLU A 107 11.650 6.718 -1.373 1.00 0.00 C ATOM 1627 CD GLU A 107 12.793 7.580 -0.833 1.00 0.00 C ATOM 1628 OE1 GLU A 107 12.746 8.804 -1.082 1.00 0.00 O ATOM 1629 OE2 GLU A 107 13.687 6.996 -0.183 1.00 0.00 O ATOM 0 H GLU A 107 9.782 8.468 -2.949 1.00 0.00 H new ATOM 0 HA GLU A 107 10.290 6.068 -4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.305 6.031 -3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 107 11.928 7.742 -3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.701 7.071 -0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 107 11.777 5.688 -1.038 1.00 0.00 H new ATOM 1636 N MET A 108 9.894 4.172 -2.752 1.00 0.00 N ATOM 1637 CA MET A 108 9.318 3.072 -1.995 1.00 0.00 C ATOM 1638 C MET A 108 10.376 2.396 -1.121 1.00 0.00 C ATOM 1639 O MET A 108 10.787 1.270 -1.397 1.00 0.00 O ATOM 1640 CB MET A 108 8.721 2.046 -2.961 1.00 0.00 C ATOM 1641 CG MET A 108 7.326 2.474 -3.421 1.00 0.00 C ATOM 1642 SD MET A 108 6.655 1.260 -4.545 1.00 0.00 S ATOM 1643 CE MET A 108 7.103 2.002 -6.105 1.00 0.00 C ATOM 0 H MET A 108 10.604 3.897 -3.431 1.00 0.00 H new ATOM 0 HA MET A 108 8.538 3.470 -1.346 1.00 0.00 H new ATOM 0 HB2 MET A 108 9.374 1.932 -3.826 1.00 0.00 H new ATOM 0 HB3 MET A 108 8.665 1.072 -2.474 1.00 0.00 H new ATOM 0 HG2 MET A 108 6.668 2.586 -2.559 1.00 0.00 H new ATOM 0 HG3 MET A 108 7.378 3.446 -3.911 1.00 0.00 H new ATOM 0 HE1 MET A 108 6.757 1.369 -6.922 1.00 0.00 H new ATOM 0 HE2 MET A 108 6.640 2.985 -6.187 1.00 0.00 H new ATOM 0 HE3 MET A 108 8.187 2.106 -6.161 1.00 0.00 H new ATOM 1653 N THR A 109 10.785 3.111 -0.083 1.00 0.00 N ATOM 1654 CA THR A 109 11.787 2.593 0.833 1.00 0.00 C ATOM 1655 C THR A 109 11.278 1.323 1.517 1.00 0.00 C ATOM 1656 O THR A 109 10.246 0.776 1.131 1.00 0.00 O ATOM 1657 CB THR A 109 12.149 3.709 1.816 1.00 0.00 C ATOM 1658 OG1 THR A 109 10.898 4.101 2.373 1.00 0.00 O ATOM 1659 CG2 THR A 109 12.655 4.969 1.111 1.00 0.00 C ATOM 0 H THR A 109 10.441 4.044 0.144 1.00 0.00 H new ATOM 0 HA THR A 109 12.693 2.299 0.304 1.00 0.00 H new ATOM 0 HB THR A 109 12.911 3.350 2.508 1.00 0.00 H new ATOM 0 HG1 THR A 109 10.931 5.050 2.617 1.00 0.00 H new ATOM 0 HG21 THR A 109 12.898 5.729 1.854 1.00 0.00 H new ATOM 0 HG22 THR A 109 13.547 4.729 0.533 1.00 0.00 H new ATOM 0 HG23 THR A 109 11.881 5.348 0.443 1.00 0.00 H new ATOM 1667 N GLY A 110 12.026 0.889 2.521 1.00 0.00 N ATOM 1668 CA GLY A 110 11.664 -0.307 3.262 1.00 0.00 C ATOM 1669 C GLY A 110 10.446 -0.052 4.153 1.00 0.00 C ATOM 1670 O GLY A 110 9.586 -0.919 4.296 1.00 0.00 O ATOM 0 H GLY A 110 12.882 1.345 2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.447 -1.118 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.506 -0.629 3.875 1.00 0.00 H new ATOM 1674 N LYS A 111 10.413 1.141 4.728 1.00 0.00 N ATOM 1675 CA LYS A 111 9.315 1.520 5.601 1.00 0.00 C ATOM 1676 C LYS A 111 8.043 1.693 4.768 1.00 0.00 C ATOM 1677 O LYS A 111 6.938 1.697 5.308 1.00 0.00 O ATOM 1678 CB LYS A 111 9.685 2.758 6.421 1.00 0.00 C ATOM 1679 CG LYS A 111 10.040 3.934 5.508 1.00 0.00 C ATOM 1680 CD LYS A 111 11.548 4.194 5.511 1.00 0.00 C ATOM 1681 CE LYS A 111 11.847 5.684 5.334 1.00 0.00 C ATOM 1682 NZ LYS A 111 11.672 6.404 6.615 1.00 0.00 N ATOM 0 H LYS A 111 11.129 1.858 4.607 1.00 0.00 H new ATOM 0 HA LYS A 111 9.117 0.732 6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 111 8.851 3.033 7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 111 10.530 2.529 7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 111 9.705 3.724 4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.512 4.828 5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 111 11.980 3.841 6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 111 12.020 3.627 4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 111 12.867 5.816 4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 111 11.184 6.107 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 11.879 7.414 6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 10.692 6.293 6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 12.322 6.012 7.325 1.00 0.00 H new ATOM 1696 N HIS A 112 8.242 1.830 3.465 1.00 0.00 N ATOM 1697 CA HIS A 112 7.124 2.002 2.552 1.00 0.00 C ATOM 1698 C HIS A 112 6.543 0.635 2.189 1.00 0.00 C ATOM 1699 O HIS A 112 5.326 0.475 2.109 1.00 0.00 O ATOM 1700 CB HIS A 112 7.546 2.812 1.324 1.00 0.00 C ATOM 1701 CG HIS A 112 7.918 4.244 1.631 1.00 0.00 C ATOM 1702 ND1 HIS A 112 8.220 5.167 0.645 1.00 0.00 N ATOM 1703 CD2 HIS A 112 8.032 4.899 2.821 1.00 0.00 C ATOM 1704 CE1 HIS A 112 8.502 6.323 1.228 1.00 0.00 C ATOM 1705 NE2 HIS A 112 8.386 6.155 2.576 1.00 0.00 N ATOM 0 H HIS A 112 9.160 1.825 3.020 1.00 0.00 H new ATOM 0 HA HIS A 112 6.336 2.575 3.040 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.396 2.320 0.851 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.731 2.806 0.600 1.00 0.00 H new ATOM 0 HD1 HIS A 112 8.225 4.988 -0.359 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.863 4.469 3.797 1.00 0.00 H new ATOM 0 HE1 HIS A 112 8.776 7.238 0.724 1.00 0.00 H new ATOM 1713 N GLN A 113 7.440 -0.317 1.979 1.00 0.00 N ATOM 1714 CA GLN A 113 7.032 -1.666 1.626 1.00 0.00 C ATOM 1715 C GLN A 113 6.822 -2.505 2.889 1.00 0.00 C ATOM 1716 O GLN A 113 7.759 -2.724 3.655 1.00 0.00 O ATOM 1717 CB GLN A 113 8.053 -2.323 0.696 1.00 0.00 C ATOM 1718 CG GLN A 113 8.353 -1.428 -0.508 1.00 0.00 C ATOM 1719 CD GLN A 113 7.904 -2.092 -1.811 1.00 0.00 C ATOM 1720 OE1 GLN A 113 7.071 -2.984 -1.829 1.00 0.00 O ATOM 1721 NE2 GLN A 113 8.500 -1.610 -2.898 1.00 0.00 N ATOM 0 H GLN A 113 8.449 -0.181 2.047 1.00 0.00 H new ATOM 0 HA GLN A 113 6.085 -1.609 1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 113 8.974 -2.522 1.244 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.672 -3.285 0.353 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.845 -0.471 -0.390 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.422 -1.218 -0.552 1.00 0.00 H new ATOM 0 HE21 GLN A 113 9.189 -0.862 -2.813 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.268 -1.988 -3.817 1.00 0.00 H new ATOM 1730 N LEU A 114 5.587 -2.951 3.066 1.00 0.00 N ATOM 1731 CA LEU A 114 5.243 -3.760 4.223 1.00 0.00 C ATOM 1732 C LEU A 114 6.352 -4.783 4.473 1.00 0.00 C ATOM 1733 O LEU A 114 7.076 -4.689 5.463 1.00 0.00 O ATOM 1734 CB LEU A 114 3.858 -4.386 4.045 1.00 0.00 C ATOM 1735 CG LEU A 114 2.714 -3.412 3.751 1.00 0.00 C ATOM 1736 CD1 LEU A 114 3.040 -2.011 4.271 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.371 -3.405 2.260 1.00 0.00 C ATOM 0 H LEU A 114 4.813 -2.768 2.428 1.00 0.00 H new ATOM 0 HA LEU A 114 5.175 -3.139 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.910 -5.110 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.613 -4.941 4.951 1.00 0.00 H new ATOM 0 HG LEU A 114 1.827 -3.755 4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.211 -1.339 4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.197 -2.050 5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.945 -1.644 3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.555 -2.705 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.246 -3.100 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.066 -4.405 1.952 1.00 0.00 H new ATOM 1749 N SER A 115 6.452 -5.736 3.558 1.00 0.00 N ATOM 1750 CA SER A 115 7.461 -6.776 3.667 1.00 0.00 C ATOM 1751 C SER A 115 7.126 -7.711 4.830 1.00 0.00 C ATOM 1752 O SER A 115 6.453 -7.311 5.779 1.00 0.00 O ATOM 1753 CB SER A 115 8.854 -6.173 3.855 1.00 0.00 C ATOM 1754 OG SER A 115 9.803 -6.725 2.946 1.00 0.00 O ATOM 0 H SER A 115 5.851 -5.810 2.737 1.00 0.00 H new ATOM 0 HA SER A 115 7.464 -7.348 2.739 1.00 0.00 H new ATOM 0 HB2 SER A 115 8.803 -5.093 3.715 1.00 0.00 H new ATOM 0 HB3 SER A 115 9.189 -6.346 4.878 1.00 0.00 H new ATOM 0 HG SER A 115 10.679 -6.313 3.097 1.00 0.00 H new ATOM 1760 N GLY A 116 7.609 -8.939 4.719 1.00 0.00 N ATOM 1761 CA GLY A 116 7.369 -9.935 5.749 1.00 0.00 C ATOM 1762 C GLY A 116 8.385 -9.803 6.886 1.00 0.00 C ATOM 1763 O GLY A 116 9.076 -8.791 6.992 1.00 0.00 O ATOM 0 H GLY A 116 8.166 -9.268 3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.359 -9.820 6.143 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.430 -10.933 5.316 1.00 0.00 H new ATOM 1767 N PRO A 117 8.445 -10.868 7.730 1.00 0.00 N ATOM 1768 CA PRO A 117 9.364 -10.881 8.855 1.00 0.00 C ATOM 1769 C PRO A 117 10.800 -11.127 8.387 1.00 0.00 C ATOM 1770 O PRO A 117 11.029 -11.462 7.226 1.00 0.00 O ATOM 1771 CB PRO A 117 8.844 -11.973 9.775 1.00 0.00 C ATOM 1772 CG PRO A 117 7.934 -12.840 8.921 1.00 0.00 C ATOM 1773 CD PRO A 117 7.642 -12.084 7.635 1.00 0.00 C ATOM 0 HA PRO A 117 9.404 -9.925 9.377 1.00 0.00 H new ATOM 0 HB2 PRO A 117 9.665 -12.558 10.189 1.00 0.00 H new ATOM 0 HB3 PRO A 117 8.299 -11.547 10.618 1.00 0.00 H new ATOM 0 HG2 PRO A 117 8.412 -13.795 8.702 1.00 0.00 H new ATOM 0 HG3 PRO A 117 7.008 -13.061 9.452 1.00 0.00 H new ATOM 0 HD2 PRO A 117 7.916 -12.672 6.759 1.00 0.00 H new ATOM 0 HD3 PRO A 117 6.581 -11.852 7.544 1.00 0.00 H new ATOM 1781 N SER A 118 11.729 -10.950 9.314 1.00 0.00 N ATOM 1782 CA SER A 118 13.136 -11.149 9.011 1.00 0.00 C ATOM 1783 C SER A 118 13.976 -10.964 10.277 1.00 0.00 C ATOM 1784 O SER A 118 13.661 -10.122 11.117 1.00 0.00 O ATOM 1785 CB SER A 118 13.606 -10.186 7.919 1.00 0.00 C ATOM 1786 OG SER A 118 14.759 -10.673 7.237 1.00 0.00 O ATOM 0 H SER A 118 11.535 -10.671 10.276 1.00 0.00 H new ATOM 0 HA SER A 118 13.265 -12.166 8.642 1.00 0.00 H new ATOM 0 HB2 SER A 118 12.800 -10.030 7.202 1.00 0.00 H new ATOM 0 HB3 SER A 118 13.830 -9.216 8.363 1.00 0.00 H new ATOM 0 HG SER A 118 15.026 -10.031 6.547 1.00 0.00 H new ATOM 1792 N SER A 119 15.027 -11.765 10.374 1.00 0.00 N ATOM 1793 CA SER A 119 15.913 -11.701 11.523 1.00 0.00 C ATOM 1794 C SER A 119 17.369 -11.641 11.058 1.00 0.00 C ATOM 1795 O SER A 119 17.722 -12.223 10.033 1.00 0.00 O ATOM 1796 CB SER A 119 15.701 -12.899 12.451 1.00 0.00 C ATOM 1797 OG SER A 119 15.356 -12.496 13.773 1.00 0.00 O ATOM 0 H SER A 119 15.285 -12.462 9.675 1.00 0.00 H new ATOM 0 HA SER A 119 15.680 -10.796 12.084 1.00 0.00 H new ATOM 0 HB2 SER A 119 14.912 -13.534 12.048 1.00 0.00 H new ATOM 0 HB3 SER A 119 16.610 -13.500 12.481 1.00 0.00 H new ATOM 0 HG SER A 119 15.227 -13.289 14.334 1.00 0.00 H new ATOM 1803 N GLY A 120 18.177 -10.933 11.834 1.00 0.00 N ATOM 1804 CA GLY A 120 19.587 -10.790 11.515 1.00 0.00 C ATOM 1805 C GLY A 120 19.797 -9.743 10.419 1.00 0.00 C ATOM 1806 O GLY A 120 18.976 -9.615 9.512 1.00 0.00 O ATOM 0 H GLY A 120 17.881 -10.452 12.683 1.00 0.00 H new ATOM 0 HA2 GLY A 120 20.139 -10.501 12.410 1.00 0.00 H new ATOM 0 HA3 GLY A 120 19.989 -11.749 11.189 1.00 0.00 H new TER 1810 GLY A 120