USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 643 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 84 GLN : amide:sc= -1.02 K(o=-2,f=-0.62!) USER MOD Set 1.2: A 85 GLN : amide:sc= -0.934 K(o=-2,f=-0.62) USER MOD Set 2.1: A 8 CYS SG : rot 180:sc= 1.1 USER MOD Set 2.2: A 56 THR OG1 : rot -111:sc= 1.34 USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 3 GLN : amide:sc= -0.166 K(o=-0.17,f=-3.2!) USER MOD Set 3.3: A 36 LYS NZ :NH3+ -158:sc= 0 (180deg=0) USER MOD Set 3.4: A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ 129:sc= 0.067 (180deg=-0.00846) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 20:sc= 0.551 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -3.81! C(o=-3.8!,f=-7.7!) USER MOD Single : A 20 ASN : amide:sc= -2.22! K(o=-2.2!,f=-1.2) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.239 X(o=-0.24,f=0.0093) USER MOD Single : A 30 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.55) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.619 K(o=-0.62,f=-4.7!) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.119) USER MOD Single : A 41 THR OG1 : rot -50:sc= 1.17 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -114:sc= 0.0599 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.216 K(o=0.22,f=-1.6!) USER MOD Single : A 72 ASN : amide:sc= -0.409 K(o=-0.41,f=-1.8!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 69:sc= 1.24 USER MOD Single : A 91 GLN : amide:sc= -0.928 X(o=-0.93,f=-0.83) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.948 0.991 0.057 1.00 40.40 N ATOM 2 CA MET A 1 2.063 0.395 -1.269 1.00 4.21 C ATOM 3 C MET A 1 2.936 -0.856 -1.228 1.00 55.34 C ATOM 4 O MET A 1 3.789 -1.002 -0.353 1.00 71.21 O ATOM 5 CB MET A 1 2.647 1.406 -2.257 1.00 44.52 C ATOM 6 CG MET A 1 4.083 1.799 -1.948 1.00 11.11 C ATOM 7 SD MET A 1 4.808 2.844 -3.226 1.00 50.01 S ATOM 8 CE MET A 1 6.310 1.940 -3.591 1.00 23.51 C ATOM 0 H1 MET A 1 2.178 2.004 0.004 1.00 40.40 H new ATOM 0 H2 MET A 1 0.975 0.875 0.407 1.00 40.40 H new ATOM 0 H3 MET A 1 2.608 0.520 0.708 1.00 40.40 H new ATOM 0 HA MET A 1 1.064 0.110 -1.600 1.00 4.21 H new ATOM 0 HB2 MET A 1 2.602 0.987 -3.262 1.00 44.52 H new ATOM 0 HB3 MET A 1 2.026 2.302 -2.257 1.00 44.52 H new ATOM 0 HG2 MET A 1 4.114 2.325 -0.994 1.00 11.11 H new ATOM 0 HG3 MET A 1 4.686 0.898 -1.836 1.00 11.11 H new ATOM 0 HE1 MET A 1 6.870 2.463 -4.366 1.00 23.51 H new ATOM 0 HE2 MET A 1 6.919 1.868 -2.690 1.00 23.51 H new ATOM 0 HE3 MET A 1 6.057 0.939 -3.939 1.00 23.51 H new ATOM 18 N LYS A 2 2.716 -1.756 -2.181 1.00 13.22 N ATOM 19 CA LYS A 2 3.482 -2.994 -2.255 1.00 73.23 C ATOM 20 C LYS A 2 4.520 -2.926 -3.371 1.00 54.30 C ATOM 21 O LYS A 2 4.257 -3.337 -4.501 1.00 15.13 O ATOM 22 CB LYS A 2 2.547 -4.183 -2.486 1.00 74.34 C ATOM 23 CG LYS A 2 1.587 -4.435 -1.336 1.00 51.13 C ATOM 24 CD LYS A 2 2.300 -5.033 -0.135 1.00 63.35 C ATOM 25 CE LYS A 2 2.791 -6.444 -0.424 1.00 51.35 C ATOM 26 NZ LYS A 2 2.764 -7.301 0.793 1.00 13.20 N ATOM 0 H LYS A 2 2.013 -1.651 -2.913 1.00 13.22 H new ATOM 0 HA LYS A 2 4.002 -3.127 -1.306 1.00 73.23 H new ATOM 0 HB2 LYS A 2 1.973 -4.011 -3.396 1.00 74.34 H new ATOM 0 HB3 LYS A 2 3.146 -5.079 -2.651 1.00 74.34 H new ATOM 0 HG2 LYS A 2 1.110 -3.499 -1.048 1.00 51.13 H new ATOM 0 HG3 LYS A 2 0.795 -5.109 -1.663 1.00 51.13 H new ATOM 0 HD2 LYS A 2 3.145 -4.402 0.139 1.00 63.35 H new ATOM 0 HD3 LYS A 2 1.624 -5.050 0.720 1.00 63.35 H new ATOM 0 HE2 LYS A 2 2.169 -6.893 -1.198 1.00 51.35 H new ATOM 0 HE3 LYS A 2 3.807 -6.402 -0.816 1.00 51.35 H new ATOM 0 HZ1 LYS A 2 3.106 -8.254 0.554 1.00 13.20 H new ATOM 0 HZ2 LYS A 2 3.377 -6.886 1.523 1.00 13.20 H new ATOM 0 HZ3 LYS A 2 1.790 -7.363 1.153 1.00 13.20 H new ATOM 40 N GLN A 3 5.698 -2.405 -3.045 1.00 64.44 N ATOM 41 CA GLN A 3 6.775 -2.285 -4.021 1.00 43.30 C ATOM 42 C GLN A 3 7.260 -3.659 -4.470 1.00 30.43 C ATOM 43 O GLN A 3 7.589 -4.513 -3.645 1.00 55.25 O ATOM 44 CB GLN A 3 7.940 -1.488 -3.431 1.00 11.24 C ATOM 45 CG GLN A 3 8.890 -0.931 -4.479 1.00 32.41 C ATOM 46 CD GLN A 3 9.824 0.123 -3.919 1.00 21.10 C ATOM 47 OE1 GLN A 3 9.390 1.063 -3.253 1.00 51.32 O ATOM 48 NE2 GLN A 3 11.116 -0.028 -4.186 1.00 60.43 N ATOM 0 H GLN A 3 5.931 -2.060 -2.114 1.00 64.44 H new ATOM 0 HA GLN A 3 6.385 -1.756 -4.891 1.00 43.30 H new ATOM 0 HB2 GLN A 3 7.542 -0.664 -2.839 1.00 11.24 H new ATOM 0 HB3 GLN A 3 8.500 -2.129 -2.750 1.00 11.24 H new ATOM 0 HG2 GLN A 3 9.479 -1.746 -4.900 1.00 32.41 H new ATOM 0 HG3 GLN A 3 8.311 -0.501 -5.296 1.00 32.41 H new ATOM 0 HE21 GLN A 3 11.432 -0.822 -4.742 1.00 60.43 H new ATOM 0 HE22 GLN A 3 11.792 0.650 -3.835 1.00 60.43 H new ATOM 57 N VAL A 4 7.302 -3.867 -5.782 1.00 32.51 N ATOM 58 CA VAL A 4 7.747 -5.138 -6.341 1.00 20.54 C ATOM 59 C VAL A 4 8.669 -4.921 -7.535 1.00 50.21 C ATOM 60 O VAL A 4 8.430 -4.044 -8.367 1.00 34.23 O ATOM 61 CB VAL A 4 6.553 -6.008 -6.779 1.00 5.20 C ATOM 62 CG1 VAL A 4 7.037 -7.342 -7.326 1.00 40.05 C ATOM 63 CG2 VAL A 4 5.592 -6.215 -5.619 1.00 35.21 C ATOM 0 H VAL A 4 7.033 -3.171 -6.478 1.00 32.51 H new ATOM 0 HA VAL A 4 8.294 -5.656 -5.553 1.00 20.54 H new ATOM 0 HB VAL A 4 6.019 -5.489 -7.575 1.00 5.20 H new ATOM 0 HG11 VAL A 4 6.180 -7.943 -7.630 1.00 40.05 H new ATOM 0 HG12 VAL A 4 7.683 -7.169 -8.187 1.00 40.05 H new ATOM 0 HG13 VAL A 4 7.595 -7.871 -6.554 1.00 40.05 H new ATOM 0 HG21 VAL A 4 4.755 -6.832 -5.946 1.00 35.21 H new ATOM 0 HG22 VAL A 4 6.112 -6.713 -4.800 1.00 35.21 H new ATOM 0 HG23 VAL A 4 5.220 -5.249 -5.278 1.00 35.21 H new ATOM 73 N LEU A 5 9.724 -5.724 -7.615 1.00 71.21 N ATOM 74 CA LEU A 5 10.683 -5.621 -8.709 1.00 43.42 C ATOM 75 C LEU A 5 10.353 -6.614 -9.819 1.00 1.31 C ATOM 76 O LEU A 5 9.451 -7.440 -9.679 1.00 50.41 O ATOM 77 CB LEU A 5 12.102 -5.867 -8.194 1.00 65.12 C ATOM 78 CG LEU A 5 12.713 -4.750 -7.347 1.00 15.10 C ATOM 79 CD1 LEU A 5 14.137 -5.101 -6.946 1.00 33.43 C ATOM 80 CD2 LEU A 5 12.680 -3.429 -8.102 1.00 72.32 C ATOM 0 H LEU A 5 9.937 -6.454 -6.935 1.00 71.21 H new ATOM 0 HA LEU A 5 10.621 -4.613 -9.119 1.00 43.42 H new ATOM 0 HB2 LEU A 5 12.099 -6.783 -7.603 1.00 65.12 H new ATOM 0 HB3 LEU A 5 12.752 -6.043 -9.051 1.00 65.12 H new ATOM 0 HG LEU A 5 12.118 -4.642 -6.440 1.00 15.10 H new ATOM 0 HD11 LEU A 5 14.555 -4.294 -6.344 1.00 33.43 H new ATOM 0 HD12 LEU A 5 14.135 -6.023 -6.365 1.00 33.43 H new ATOM 0 HD13 LEU A 5 14.744 -5.237 -7.841 1.00 33.43 H new ATOM 0 HD21 LEU A 5 13.119 -2.646 -7.484 1.00 72.32 H new ATOM 0 HD22 LEU A 5 13.250 -3.524 -9.026 1.00 72.32 H new ATOM 0 HD23 LEU A 5 11.648 -3.170 -8.337 1.00 72.32 H new ATOM 92 N VAL A 6 11.091 -6.529 -10.921 1.00 44.30 N ATOM 93 CA VAL A 6 10.880 -7.422 -12.054 1.00 14.22 C ATOM 94 C VAL A 6 12.179 -7.664 -12.813 1.00 62.02 C ATOM 95 O VAL A 6 12.689 -6.773 -13.491 1.00 41.42 O ATOM 96 CB VAL A 6 9.828 -6.856 -13.026 1.00 14.40 C ATOM 97 CG1 VAL A 6 9.643 -7.787 -14.214 1.00 55.24 C ATOM 98 CG2 VAL A 6 8.507 -6.627 -12.307 1.00 11.52 C ATOM 0 H VAL A 6 11.841 -5.850 -11.053 1.00 44.30 H new ATOM 0 HA VAL A 6 10.519 -8.367 -11.649 1.00 14.22 H new ATOM 0 HB VAL A 6 10.183 -5.896 -13.399 1.00 14.40 H new ATOM 0 HG11 VAL A 6 8.896 -7.371 -14.890 1.00 55.24 H new ATOM 0 HG12 VAL A 6 10.590 -7.895 -14.742 1.00 55.24 H new ATOM 0 HG13 VAL A 6 9.310 -8.764 -13.863 1.00 55.24 H new ATOM 0 HG21 VAL A 6 7.775 -6.227 -13.009 1.00 11.52 H new ATOM 0 HG22 VAL A 6 8.144 -7.572 -11.904 1.00 11.52 H new ATOM 0 HG23 VAL A 6 8.654 -5.918 -11.493 1.00 11.52 H new ATOM 108 N ALA A 7 12.710 -8.877 -12.695 1.00 50.30 N ATOM 109 CA ALA A 7 13.949 -9.237 -13.372 1.00 61.54 C ATOM 110 C ALA A 7 13.773 -10.507 -14.199 1.00 5.02 C ATOM 111 O ALA A 7 12.689 -11.089 -14.237 1.00 32.24 O ATOM 112 CB ALA A 7 15.071 -9.415 -12.361 1.00 24.15 C ATOM 0 H ALA A 7 12.301 -9.626 -12.137 1.00 50.30 H new ATOM 0 HA ALA A 7 14.212 -8.426 -14.051 1.00 61.54 H new ATOM 0 HB1 ALA A 7 15.990 -9.684 -12.881 1.00 24.15 H new ATOM 0 HB2 ALA A 7 15.221 -8.483 -11.817 1.00 24.15 H new ATOM 0 HB3 ALA A 7 14.807 -10.206 -11.660 1.00 24.15 H new ATOM 118 N CYS A 8 14.845 -10.930 -14.859 1.00 64.23 N ATOM 119 CA CYS A 8 14.809 -12.131 -15.687 1.00 11.21 C ATOM 120 C CYS A 8 16.194 -12.454 -16.237 1.00 61.20 C ATOM 121 O CYS A 8 16.768 -11.677 -16.999 1.00 11.03 O ATOM 122 CB CYS A 8 13.819 -11.952 -16.838 1.00 55.45 C ATOM 123 SG CYS A 8 13.807 -13.319 -18.021 1.00 72.04 S ATOM 0 H CYS A 8 15.750 -10.460 -14.837 1.00 64.23 H new ATOM 0 HA CYS A 8 14.483 -12.963 -15.063 1.00 11.21 H new ATOM 0 HB2 CYS A 8 12.817 -11.834 -16.426 1.00 55.45 H new ATOM 0 HB3 CYS A 8 14.057 -11.029 -17.368 1.00 55.45 H new ATOM 0 HG CYS A 8 12.937 -13.076 -18.956 1.00 72.04 H new ATOM 196 N SER A 15 12.625 -7.974 -19.807 1.00 51.44 N ATOM 197 CA SER A 15 11.778 -7.817 -18.631 1.00 13.10 C ATOM 198 C SER A 15 10.748 -6.712 -18.846 1.00 44.52 C ATOM 199 O SER A 15 10.685 -5.748 -18.082 1.00 14.01 O ATOM 200 CB SER A 15 12.631 -7.503 -17.400 1.00 55.43 C ATOM 201 OG SER A 15 13.905 -8.116 -17.493 1.00 34.14 O ATOM 0 HA SER A 15 11.249 -8.756 -18.467 1.00 13.10 H new ATOM 0 HB2 SER A 15 12.749 -6.424 -17.301 1.00 55.43 H new ATOM 0 HB3 SER A 15 12.121 -7.851 -16.502 1.00 55.43 H new ATOM 0 HG SER A 15 14.095 -8.336 -18.429 1.00 34.14 H new ATOM 207 N THR A 16 9.943 -6.858 -19.894 1.00 14.54 N ATOM 208 CA THR A 16 8.917 -5.873 -20.212 1.00 13.52 C ATOM 209 C THR A 16 7.547 -6.529 -20.346 1.00 3.30 C ATOM 210 O THR A 16 6.545 -6.002 -19.861 1.00 64.53 O ATOM 211 CB THR A 16 9.244 -5.122 -21.517 1.00 32.14 C ATOM 212 OG1 THR A 16 10.663 -5.014 -21.677 1.00 74.43 O ATOM 213 CG2 THR A 16 8.622 -3.734 -21.513 1.00 10.32 C ATOM 0 H THR A 16 9.982 -7.649 -20.537 1.00 14.54 H new ATOM 0 HA THR A 16 8.897 -5.161 -19.387 1.00 13.52 H new ATOM 0 HB THR A 16 8.827 -5.687 -22.350 1.00 32.14 H new ATOM 0 HG1 THR A 16 10.863 -4.537 -22.509 1.00 74.43 H new ATOM 0 HG21 THR A 16 8.867 -3.223 -22.444 1.00 10.32 H new ATOM 0 HG22 THR A 16 7.539 -3.821 -21.420 1.00 10.32 H new ATOM 0 HG23 THR A 16 9.014 -3.162 -20.672 1.00 10.32 H new ATOM 221 N VAL A 17 7.511 -7.682 -21.007 1.00 13.35 N ATOM 222 CA VAL A 17 6.264 -8.411 -21.203 1.00 33.12 C ATOM 223 C VAL A 17 5.564 -8.670 -19.874 1.00 34.34 C ATOM 224 O VAL A 17 4.346 -8.528 -19.763 1.00 33.22 O ATOM 225 CB VAL A 17 6.506 -9.756 -21.914 1.00 11.23 C ATOM 226 CG1 VAL A 17 5.204 -10.531 -22.049 1.00 50.52 C ATOM 227 CG2 VAL A 17 7.146 -9.530 -23.275 1.00 70.42 C ATOM 0 H VAL A 17 8.331 -8.131 -21.415 1.00 13.35 H new ATOM 0 HA VAL A 17 5.627 -7.786 -21.830 1.00 33.12 H new ATOM 0 HB VAL A 17 7.192 -10.349 -21.309 1.00 11.23 H new ATOM 0 HG11 VAL A 17 5.395 -11.478 -22.554 1.00 50.52 H new ATOM 0 HG12 VAL A 17 4.791 -10.724 -21.059 1.00 50.52 H new ATOM 0 HG13 VAL A 17 4.492 -9.947 -22.631 1.00 50.52 H new ATOM 0 HG21 VAL A 17 7.310 -10.490 -23.764 1.00 70.42 H new ATOM 0 HG22 VAL A 17 6.486 -8.918 -23.890 1.00 70.42 H new ATOM 0 HG23 VAL A 17 8.101 -9.020 -23.148 1.00 70.42 H new ATOM 237 N VAL A 18 6.342 -9.051 -18.866 1.00 32.45 N ATOM 238 CA VAL A 18 5.797 -9.329 -17.542 1.00 21.21 C ATOM 239 C VAL A 18 5.108 -8.099 -16.962 1.00 74.31 C ATOM 240 O VAL A 18 3.918 -8.131 -16.651 1.00 72.13 O ATOM 241 CB VAL A 18 6.897 -9.794 -16.569 1.00 33.42 C ATOM 242 CG1 VAL A 18 6.284 -10.280 -15.264 1.00 25.12 C ATOM 243 CG2 VAL A 18 7.746 -10.883 -17.207 1.00 21.34 C ATOM 0 H VAL A 18 7.352 -9.174 -18.941 1.00 32.45 H new ATOM 0 HA VAL A 18 5.066 -10.129 -17.662 1.00 21.21 H new ATOM 0 HB VAL A 18 7.544 -8.945 -16.345 1.00 33.42 H new ATOM 0 HG11 VAL A 18 7.076 -10.605 -14.589 1.00 25.12 H new ATOM 0 HG12 VAL A 18 5.723 -9.468 -14.801 1.00 25.12 H new ATOM 0 HG13 VAL A 18 5.614 -11.116 -15.466 1.00 25.12 H new ATOM 0 HG21 VAL A 18 8.518 -11.200 -16.506 1.00 21.34 H new ATOM 0 HG22 VAL A 18 7.115 -11.735 -17.461 1.00 21.34 H new ATOM 0 HG23 VAL A 18 8.214 -10.496 -18.112 1.00 21.34 H new ATOM 253 N ASN A 19 5.864 -7.016 -16.820 1.00 0.24 N ATOM 254 CA ASN A 19 5.326 -5.774 -16.277 1.00 13.13 C ATOM 255 C ASN A 19 4.139 -5.288 -17.104 1.00 2.13 C ATOM 256 O ASN A 19 3.118 -4.872 -16.558 1.00 3.21 O ATOM 257 CB ASN A 19 6.411 -4.696 -16.240 1.00 22.35 C ATOM 258 CG ASN A 19 5.842 -3.309 -16.011 1.00 73.51 C ATOM 259 OD1 ASN A 19 5.090 -3.083 -15.062 1.00 65.43 O ATOM 260 ND2 ASN A 19 6.198 -2.373 -16.883 1.00 13.14 N ATOM 0 H ASN A 19 6.851 -6.973 -17.073 1.00 0.24 H new ATOM 0 HA ASN A 19 4.983 -5.970 -15.261 1.00 13.13 H new ATOM 0 HB2 ASN A 19 7.123 -4.929 -15.448 1.00 22.35 H new ATOM 0 HB3 ASN A 19 6.963 -4.708 -17.180 1.00 22.35 H new ATOM 0 HD21 ASN A 19 5.846 -1.421 -16.782 1.00 13.14 H new ATOM 0 HD22 ASN A 19 6.824 -2.606 -17.654 1.00 13.14 H new ATOM 267 N ASN A 20 4.282 -5.345 -18.424 1.00 1.22 N ATOM 268 CA ASN A 20 3.222 -4.911 -19.327 1.00 3.43 C ATOM 269 C ASN A 20 1.941 -5.702 -19.082 1.00 11.32 C ATOM 270 O ASN A 20 0.838 -5.185 -19.254 1.00 54.32 O ATOM 271 CB ASN A 20 3.665 -5.073 -20.782 1.00 61.52 C ATOM 272 CG ASN A 20 4.413 -3.859 -21.298 1.00 64.51 C ATOM 273 OD1 ASN A 20 4.013 -3.243 -22.286 1.00 31.14 O ATOM 274 ND2 ASN A 20 5.507 -3.511 -20.630 1.00 52.31 N ATOM 0 H ASN A 20 5.121 -5.687 -18.892 1.00 1.22 H new ATOM 0 HA ASN A 20 3.020 -3.858 -19.131 1.00 3.43 H new ATOM 0 HB2 ASN A 20 4.302 -5.953 -20.869 1.00 61.52 H new ATOM 0 HB3 ASN A 20 2.790 -5.250 -21.408 1.00 61.52 H new ATOM 0 HD21 ASN A 20 6.053 -2.704 -20.931 1.00 52.31 H new ATOM 0 HD22 ASN A 20 5.801 -4.051 -19.816 1.00 52.31 H new ATOM 281 N ALA A 21 2.096 -6.958 -18.678 1.00 70.42 N ATOM 282 CA ALA A 21 0.952 -7.820 -18.407 1.00 22.22 C ATOM 283 C ALA A 21 0.401 -7.576 -17.006 1.00 61.21 C ATOM 284 O ALA A 21 -0.782 -7.279 -16.838 1.00 31.34 O ATOM 285 CB ALA A 21 1.341 -9.282 -18.576 1.00 55.41 C ATOM 0 H ALA A 21 3.003 -7.402 -18.531 1.00 70.42 H new ATOM 0 HA ALA A 21 0.168 -7.579 -19.125 1.00 22.22 H new ATOM 0 HB1 ALA A 21 0.477 -9.914 -18.371 1.00 55.41 H new ATOM 0 HB2 ALA A 21 1.681 -9.452 -19.598 1.00 55.41 H new ATOM 0 HB3 ALA A 21 2.144 -9.528 -17.881 1.00 55.41 H new ATOM 291 N ILE A 22 1.265 -7.704 -16.005 1.00 1.01 N ATOM 292 CA ILE A 22 0.864 -7.497 -14.619 1.00 12.30 C ATOM 293 C ILE A 22 0.241 -6.118 -14.427 1.00 42.03 C ATOM 294 O ILE A 22 -0.833 -5.988 -13.842 1.00 12.11 O ATOM 295 CB ILE A 22 2.059 -7.646 -13.659 1.00 35.14 C ATOM 296 CG1 ILE A 22 2.673 -9.041 -13.788 1.00 24.22 C ATOM 297 CG2 ILE A 22 1.622 -7.385 -12.225 1.00 15.30 C ATOM 298 CD1 ILE A 22 1.691 -10.161 -13.527 1.00 33.21 C ATOM 0 H ILE A 22 2.247 -7.950 -16.128 1.00 1.01 H new ATOM 0 HA ILE A 22 0.124 -8.263 -14.387 1.00 12.30 H new ATOM 0 HB ILE A 22 2.816 -6.909 -13.928 1.00 35.14 H new ATOM 0 HG12 ILE A 22 3.085 -9.156 -14.791 1.00 24.22 H new ATOM 0 HG13 ILE A 22 3.505 -9.129 -13.090 1.00 24.22 H new ATOM 0 HG21 ILE A 22 2.477 -7.494 -11.558 1.00 15.30 H new ATOM 0 HG22 ILE A 22 1.226 -6.373 -12.144 1.00 15.30 H new ATOM 0 HG23 ILE A 22 0.850 -8.101 -11.944 1.00 15.30 H new ATOM 0 HD11 ILE A 22 2.196 -11.121 -13.636 1.00 33.21 H new ATOM 0 HD12 ILE A 22 1.297 -10.071 -12.514 1.00 33.21 H new ATOM 0 HD13 ILE A 22 0.871 -10.099 -14.242 1.00 33.21 H new ATOM 310 N GLU A 23 0.923 -5.092 -14.926 1.00 43.15 N ATOM 311 CA GLU A 23 0.436 -3.723 -14.811 1.00 12.44 C ATOM 312 C GLU A 23 -1.008 -3.616 -15.293 1.00 31.51 C ATOM 313 O GLU A 23 -1.788 -2.816 -14.777 1.00 63.33 O ATOM 314 CB GLU A 23 1.325 -2.771 -15.614 1.00 72.44 C ATOM 315 CG GLU A 23 1.097 -2.847 -17.115 1.00 30.32 C ATOM 316 CD GLU A 23 2.031 -1.941 -17.893 1.00 72.12 C ATOM 317 OE1 GLU A 23 1.808 -1.762 -19.109 1.00 2.03 O ATOM 318 OE2 GLU A 23 2.985 -1.411 -17.286 1.00 14.31 O ATOM 0 H GLU A 23 1.814 -5.183 -15.414 1.00 43.15 H new ATOM 0 HA GLU A 23 0.472 -3.440 -13.759 1.00 12.44 H new ATOM 0 HB2 GLU A 23 1.145 -1.750 -15.279 1.00 72.44 H new ATOM 0 HB3 GLU A 23 2.370 -2.997 -15.402 1.00 72.44 H new ATOM 0 HG2 GLU A 23 1.234 -3.876 -17.448 1.00 30.32 H new ATOM 0 HG3 GLU A 23 0.065 -2.575 -17.336 1.00 30.32 H new ATOM 325 N GLU A 24 -1.355 -4.429 -16.286 1.00 35.42 N ATOM 326 CA GLU A 24 -2.705 -4.426 -16.839 1.00 2.24 C ATOM 327 C GLU A 24 -3.677 -5.140 -15.904 1.00 54.24 C ATOM 328 O GLU A 24 -4.816 -4.706 -15.727 1.00 65.44 O ATOM 329 CB GLU A 24 -2.718 -5.095 -18.215 1.00 1.14 C ATOM 330 CG GLU A 24 -1.984 -4.303 -19.284 1.00 23.05 C ATOM 331 CD GLU A 24 -1.673 -5.133 -20.514 1.00 50.21 C ATOM 332 OE1 GLU A 24 -1.400 -6.342 -20.362 1.00 14.21 O ATOM 333 OE2 GLU A 24 -1.703 -4.572 -21.630 1.00 20.32 O ATOM 0 H GLU A 24 -0.721 -5.097 -16.724 1.00 35.42 H new ATOM 0 HA GLU A 24 -3.025 -3.389 -16.945 1.00 2.24 H new ATOM 0 HB2 GLU A 24 -2.267 -6.084 -18.133 1.00 1.14 H new ATOM 0 HB3 GLU A 24 -3.752 -5.241 -18.529 1.00 1.14 H new ATOM 0 HG2 GLU A 24 -2.589 -3.444 -19.574 1.00 23.05 H new ATOM 0 HG3 GLU A 24 -1.055 -3.914 -18.869 1.00 23.05 H new ATOM 340 N MET A 25 -3.220 -6.237 -15.310 1.00 12.10 N ATOM 341 CA MET A 25 -4.049 -7.011 -14.393 1.00 72.14 C ATOM 342 C MET A 25 -4.311 -6.233 -13.108 1.00 23.03 C ATOM 343 O MET A 25 -5.448 -6.141 -12.648 1.00 13.23 O ATOM 344 CB MET A 25 -3.377 -8.346 -14.068 1.00 21.24 C ATOM 345 CG MET A 25 -3.207 -9.252 -15.276 1.00 73.13 C ATOM 346 SD MET A 25 -4.576 -10.409 -15.475 1.00 54.52 S ATOM 347 CE MET A 25 -3.690 -11.925 -15.827 1.00 14.11 C ATOM 0 H MET A 25 -2.281 -6.610 -15.447 1.00 12.10 H new ATOM 0 HA MET A 25 -5.005 -7.203 -14.881 1.00 72.14 H new ATOM 0 HB2 MET A 25 -2.398 -8.153 -13.629 1.00 21.24 H new ATOM 0 HB3 MET A 25 -3.968 -8.867 -13.314 1.00 21.24 H new ATOM 0 HG2 MET A 25 -3.120 -8.641 -16.174 1.00 73.13 H new ATOM 0 HG3 MET A 25 -2.276 -9.810 -15.178 1.00 73.13 H new ATOM 0 HE1 MET A 25 -4.402 -12.737 -15.975 1.00 14.11 H new ATOM 0 HE2 MET A 25 -3.093 -11.796 -16.730 1.00 14.11 H new ATOM 0 HE3 MET A 25 -3.034 -12.166 -14.990 1.00 14.11 H new ATOM 357 N ALA A 26 -3.250 -5.675 -12.533 1.00 32.43 N ATOM 358 CA ALA A 26 -3.366 -4.904 -11.301 1.00 72.13 C ATOM 359 C ALA A 26 -4.448 -3.837 -11.422 1.00 15.30 C ATOM 360 O ALA A 26 -5.146 -3.533 -10.454 1.00 54.13 O ATOM 361 CB ALA A 26 -2.030 -4.266 -10.950 1.00 71.51 C ATOM 0 H ALA A 26 -2.301 -5.743 -12.901 1.00 32.43 H new ATOM 0 HA ALA A 26 -3.652 -5.586 -10.500 1.00 72.13 H new ATOM 0 HB1 ALA A 26 -2.131 -3.693 -10.028 1.00 71.51 H new ATOM 0 HB2 ALA A 26 -1.280 -5.045 -10.813 1.00 71.51 H new ATOM 0 HB3 ALA A 26 -1.721 -3.602 -11.757 1.00 71.51 H new ATOM 367 N LYS A 27 -4.583 -3.269 -12.616 1.00 21.40 N ATOM 368 CA LYS A 27 -5.581 -2.236 -12.864 1.00 44.54 C ATOM 369 C LYS A 27 -6.992 -2.790 -12.697 1.00 42.14 C ATOM 370 O LYS A 27 -7.881 -2.106 -12.192 1.00 4.34 O ATOM 371 CB LYS A 27 -5.410 -1.661 -14.273 1.00 31.43 C ATOM 372 CG LYS A 27 -4.228 -0.717 -14.406 1.00 11.14 C ATOM 373 CD LYS A 27 -4.578 0.684 -13.933 1.00 40.32 C ATOM 374 CE LYS A 27 -5.328 1.462 -15.004 1.00 2.33 C ATOM 375 NZ LYS A 27 -5.489 2.896 -14.637 1.00 0.54 N ATOM 0 H LYS A 27 -4.013 -3.507 -13.428 1.00 21.40 H new ATOM 0 HA LYS A 27 -5.434 -1.441 -12.133 1.00 44.54 H new ATOM 0 HB2 LYS A 27 -5.289 -2.482 -14.979 1.00 31.43 H new ATOM 0 HB3 LYS A 27 -6.321 -1.131 -14.553 1.00 31.43 H new ATOM 0 HG2 LYS A 27 -3.389 -1.099 -13.825 1.00 11.14 H new ATOM 0 HG3 LYS A 27 -3.905 -0.681 -15.446 1.00 11.14 H new ATOM 0 HD2 LYS A 27 -5.188 0.623 -13.032 1.00 40.32 H new ATOM 0 HD3 LYS A 27 -3.666 1.218 -13.666 1.00 40.32 H new ATOM 0 HE2 LYS A 27 -4.792 1.387 -15.950 1.00 2.33 H new ATOM 0 HE3 LYS A 27 -6.310 1.014 -15.158 1.00 2.33 H new ATOM 0 HZ1 LYS A 27 -6.005 3.392 -15.392 1.00 0.54 H new ATOM 0 HZ2 LYS A 27 -6.023 2.969 -13.747 1.00 0.54 H new ATOM 0 HZ3 LYS A 27 -4.552 3.330 -14.515 1.00 0.54 H new ATOM 389 N GLU A 28 -7.189 -4.033 -13.124 1.00 62.35 N ATOM 390 CA GLU A 28 -8.492 -4.678 -13.021 1.00 34.42 C ATOM 391 C GLU A 28 -8.837 -4.977 -11.565 1.00 33.14 C ATOM 392 O GLU A 28 -9.997 -4.894 -11.160 1.00 14.31 O ATOM 393 CB GLU A 28 -8.512 -5.973 -13.837 1.00 12.51 C ATOM 394 CG GLU A 28 -9.900 -6.572 -13.994 1.00 5.02 C ATOM 395 CD GLU A 28 -10.784 -5.760 -14.920 1.00 34.41 C ATOM 396 OE1 GLU A 28 -10.499 -5.726 -16.135 1.00 4.31 O ATOM 397 OE2 GLU A 28 -11.763 -5.160 -14.429 1.00 33.12 O ATOM 0 H GLU A 28 -6.463 -4.613 -13.544 1.00 62.35 H new ATOM 0 HA GLU A 28 -9.240 -3.993 -13.421 1.00 34.42 H new ATOM 0 HB2 GLU A 28 -8.096 -5.776 -14.825 1.00 12.51 H new ATOM 0 HB3 GLU A 28 -7.862 -6.705 -13.358 1.00 12.51 H new ATOM 0 HG2 GLU A 28 -9.812 -7.588 -14.380 1.00 5.02 H new ATOM 0 HG3 GLU A 28 -10.374 -6.643 -13.015 1.00 5.02 H new ATOM 404 N HIS A 29 -7.821 -5.326 -10.782 1.00 34.44 N ATOM 405 CA HIS A 29 -8.016 -5.638 -9.370 1.00 51.10 C ATOM 406 C HIS A 29 -8.129 -4.361 -8.542 1.00 62.24 C ATOM 407 O HIS A 29 -8.804 -4.334 -7.515 1.00 34.13 O ATOM 408 CB HIS A 29 -6.862 -6.496 -8.851 1.00 45.43 C ATOM 409 CG HIS A 29 -6.699 -7.790 -9.587 1.00 35.11 C ATOM 410 ND1 HIS A 29 -7.541 -8.868 -9.408 1.00 2.11 N ATOM 411 CD2 HIS A 29 -5.787 -8.176 -10.509 1.00 60.12 C ATOM 412 CE1 HIS A 29 -7.152 -9.861 -10.187 1.00 22.41 C ATOM 413 NE2 HIS A 29 -6.090 -9.467 -10.866 1.00 63.10 N ATOM 0 H HIS A 29 -6.855 -5.400 -11.101 1.00 34.44 H new ATOM 0 HA HIS A 29 -8.947 -6.197 -9.272 1.00 51.10 H new ATOM 0 HB2 HIS A 29 -5.935 -5.927 -8.924 1.00 45.43 H new ATOM 0 HB3 HIS A 29 -7.024 -6.707 -7.794 1.00 45.43 H new ATOM 0 HD2 HIS A 29 -4.972 -7.580 -10.893 1.00 60.12 H new ATOM 0 HE1 HIS A 29 -7.622 -10.831 -10.257 1.00 22.41 H new ATOM 0 HE2 HIS A 29 -5.578 -10.030 -11.545 1.00 63.10 H new ATOM 421 N ASN A 30 -7.462 -3.306 -8.998 1.00 4.32 N ATOM 422 CA ASN A 30 -7.486 -2.026 -8.298 1.00 60.14 C ATOM 423 C ASN A 30 -6.819 -2.141 -6.931 1.00 50.30 C ATOM 424 O ASN A 30 -7.324 -1.617 -5.937 1.00 63.14 O ATOM 425 CB ASN A 30 -8.927 -1.537 -8.136 1.00 63.32 C ATOM 426 CG ASN A 30 -9.753 -1.748 -9.390 1.00 74.00 C ATOM 427 OD1 ASN A 30 -9.626 -1.005 -10.363 1.00 50.40 O ATOM 428 ND2 ASN A 30 -10.607 -2.765 -9.372 1.00 22.32 N ATOM 0 H ASN A 30 -6.899 -3.312 -9.848 1.00 4.32 H new ATOM 0 HA ASN A 30 -6.929 -1.303 -8.894 1.00 60.14 H new ATOM 0 HB2 ASN A 30 -9.395 -2.062 -7.303 1.00 63.32 H new ATOM 0 HB3 ASN A 30 -8.922 -0.477 -7.882 1.00 63.32 H new ATOM 0 HD21 ASN A 30 -11.190 -2.956 -10.187 1.00 22.32 H new ATOM 0 HD22 ASN A 30 -10.679 -3.356 -8.544 1.00 22.32 H new ATOM 435 N ILE A 31 -5.683 -2.828 -6.889 1.00 23.00 N ATOM 436 CA ILE A 31 -4.946 -3.010 -5.644 1.00 40.44 C ATOM 437 C ILE A 31 -3.824 -1.985 -5.515 1.00 13.31 C ATOM 438 O ILE A 31 -3.269 -1.526 -6.513 1.00 64.24 O ATOM 439 CB ILE A 31 -4.347 -4.425 -5.546 1.00 43.03 C ATOM 440 CG1 ILE A 31 -5.415 -5.477 -5.852 1.00 43.04 C ATOM 441 CG2 ILE A 31 -3.751 -4.653 -4.165 1.00 61.32 C ATOM 442 CD1 ILE A 31 -4.870 -6.886 -5.928 1.00 74.32 C ATOM 0 H ILE A 31 -5.252 -3.268 -7.702 1.00 23.00 H new ATOM 0 HA ILE A 31 -5.659 -2.869 -4.832 1.00 40.44 H new ATOM 0 HB ILE A 31 -3.550 -4.518 -6.284 1.00 43.03 H new ATOM 0 HG12 ILE A 31 -6.186 -5.435 -5.082 1.00 43.04 H new ATOM 0 HG13 ILE A 31 -5.896 -5.230 -6.799 1.00 43.04 H new ATOM 0 HG21 ILE A 31 -3.331 -5.658 -4.111 1.00 61.32 H new ATOM 0 HG22 ILE A 31 -2.964 -3.921 -3.983 1.00 61.32 H new ATOM 0 HG23 ILE A 31 -4.530 -4.544 -3.410 1.00 61.32 H new ATOM 0 HD11 ILE A 31 -5.682 -7.579 -6.148 1.00 74.32 H new ATOM 0 HD12 ILE A 31 -4.120 -6.944 -6.717 1.00 74.32 H new ATOM 0 HD13 ILE A 31 -4.415 -7.152 -4.974 1.00 74.32 H new ATOM 454 N LYS A 32 -3.494 -1.630 -4.278 1.00 15.03 N ATOM 455 CA LYS A 32 -2.437 -0.661 -4.015 1.00 64.42 C ATOM 456 C LYS A 32 -1.061 -1.292 -4.208 1.00 33.42 C ATOM 457 O LYS A 32 -0.307 -1.465 -3.250 1.00 43.44 O ATOM 458 CB LYS A 32 -2.562 -0.111 -2.593 1.00 13.11 C ATOM 459 CG LYS A 32 -3.976 0.305 -2.224 1.00 60.52 C ATOM 460 CD LYS A 32 -3.984 1.573 -1.388 1.00 11.12 C ATOM 461 CE LYS A 32 -3.655 2.797 -2.228 1.00 43.14 C ATOM 462 NZ LYS A 32 -4.884 3.506 -2.681 1.00 45.11 N ATOM 0 H LYS A 32 -3.944 -2.000 -3.441 1.00 15.03 H new ATOM 0 HA LYS A 32 -2.545 0.159 -4.725 1.00 64.42 H new ATOM 0 HB2 LYS A 32 -2.219 -0.868 -1.888 1.00 13.11 H new ATOM 0 HB3 LYS A 32 -1.900 0.748 -2.485 1.00 13.11 H new ATOM 0 HG2 LYS A 32 -4.558 0.463 -3.132 1.00 60.52 H new ATOM 0 HG3 LYS A 32 -4.460 -0.500 -1.671 1.00 60.52 H new ATOM 0 HD2 LYS A 32 -4.963 1.700 -0.927 1.00 11.12 H new ATOM 0 HD3 LYS A 32 -3.260 1.481 -0.578 1.00 11.12 H new ATOM 0 HE2 LYS A 32 -3.035 3.480 -1.647 1.00 43.14 H new ATOM 0 HE3 LYS A 32 -3.069 2.495 -3.096 1.00 43.14 H new ATOM 0 HZ1 LYS A 32 -4.617 4.334 -3.250 1.00 45.11 H new ATOM 0 HZ2 LYS A 32 -5.464 2.862 -3.257 1.00 45.11 H new ATOM 0 HZ3 LYS A 32 -5.431 3.817 -1.853 1.00 45.11 H new ATOM 476 N VAL A 33 -0.741 -1.634 -5.452 1.00 23.12 N ATOM 477 CA VAL A 33 0.545 -2.243 -5.770 1.00 60.40 C ATOM 478 C VAL A 33 1.345 -1.369 -6.729 1.00 61.21 C ATOM 479 O VAL A 33 0.784 -0.741 -7.627 1.00 3.51 O ATOM 480 CB VAL A 33 0.365 -3.640 -6.394 1.00 41.14 C ATOM 481 CG1 VAL A 33 -0.459 -3.552 -7.670 1.00 64.52 C ATOM 482 CG2 VAL A 33 1.718 -4.280 -6.666 1.00 42.34 C ATOM 0 H VAL A 33 -1.354 -1.500 -6.256 1.00 23.12 H new ATOM 0 HA VAL A 33 1.090 -2.340 -4.831 1.00 60.40 H new ATOM 0 HB VAL A 33 -0.173 -4.270 -5.685 1.00 41.14 H new ATOM 0 HG11 VAL A 33 -0.576 -4.548 -8.097 1.00 64.52 H new ATOM 0 HG12 VAL A 33 -1.441 -3.138 -7.441 1.00 64.52 H new ATOM 0 HG13 VAL A 33 0.049 -2.907 -8.387 1.00 64.52 H new ATOM 0 HG21 VAL A 33 1.572 -5.266 -7.107 1.00 42.34 H new ATOM 0 HG22 VAL A 33 2.284 -3.654 -7.356 1.00 42.34 H new ATOM 0 HG23 VAL A 33 2.269 -4.379 -5.730 1.00 42.34 H new ATOM 492 N ASP A 34 2.658 -1.334 -6.533 1.00 65.42 N ATOM 493 CA ASP A 34 3.537 -0.538 -7.382 1.00 23.21 C ATOM 494 C ASP A 34 4.575 -1.420 -8.069 1.00 22.54 C ATOM 495 O ASP A 34 5.293 -2.177 -7.413 1.00 15.30 O ATOM 496 CB ASP A 34 4.235 0.544 -6.557 1.00 24.03 C ATOM 497 CG ASP A 34 4.294 1.875 -7.279 1.00 41.43 C ATOM 498 OD1 ASP A 34 5.322 2.574 -7.154 1.00 50.02 O ATOM 499 OD2 ASP A 34 3.313 2.219 -7.971 1.00 34.54 O ATOM 0 H ASP A 34 3.138 -1.848 -5.794 1.00 65.42 H new ATOM 0 HA ASP A 34 2.926 -0.062 -8.149 1.00 23.21 H new ATOM 0 HB2 ASP A 34 3.710 0.671 -5.610 1.00 24.03 H new ATOM 0 HB3 ASP A 34 5.247 0.218 -6.318 1.00 24.03 H new ATOM 504 N ILE A 35 4.648 -1.319 -9.391 1.00 43.04 N ATOM 505 CA ILE A 35 5.598 -2.108 -10.166 1.00 42.32 C ATOM 506 C ILE A 35 6.912 -1.357 -10.354 1.00 2.13 C ATOM 507 O ILE A 35 6.927 -0.133 -10.489 1.00 64.32 O ATOM 508 CB ILE A 35 5.029 -2.476 -11.549 1.00 15.11 C ATOM 509 CG1 ILE A 35 3.704 -3.226 -11.396 1.00 30.34 C ATOM 510 CG2 ILE A 35 6.031 -3.313 -12.329 1.00 31.52 C ATOM 511 CD1 ILE A 35 2.911 -3.322 -12.680 1.00 42.44 C ATOM 0 H ILE A 35 4.061 -0.699 -9.949 1.00 43.04 H new ATOM 0 HA ILE A 35 5.782 -3.023 -9.602 1.00 42.32 H new ATOM 0 HB ILE A 35 4.843 -1.557 -12.105 1.00 15.11 H new ATOM 0 HG12 ILE A 35 3.906 -4.232 -11.027 1.00 30.34 H new ATOM 0 HG13 ILE A 35 3.098 -2.725 -10.641 1.00 30.34 H new ATOM 0 HG21 ILE A 35 5.614 -3.565 -13.304 1.00 31.52 H new ATOM 0 HG22 ILE A 35 6.952 -2.746 -12.464 1.00 31.52 H new ATOM 0 HG23 ILE A 35 6.246 -4.229 -11.779 1.00 31.52 H new ATOM 0 HD11 ILE A 35 1.985 -3.866 -12.496 1.00 42.44 H new ATOM 0 HD12 ILE A 35 2.678 -2.320 -13.039 1.00 42.44 H new ATOM 0 HD13 ILE A 35 3.498 -3.849 -13.432 1.00 42.44 H new ATOM 523 N LYS A 36 8.015 -2.098 -10.362 1.00 73.44 N ATOM 524 CA LYS A 36 9.335 -1.505 -10.537 1.00 1.23 C ATOM 525 C LYS A 36 10.213 -2.382 -11.424 1.00 51.51 C ATOM 526 O LYS A 36 10.238 -3.603 -11.274 1.00 1.30 O ATOM 527 CB LYS A 36 10.008 -1.301 -9.178 1.00 5.43 C ATOM 528 CG LYS A 36 10.227 0.159 -8.820 1.00 54.43 C ATOM 529 CD LYS A 36 11.221 0.312 -7.682 1.00 4.22 C ATOM 530 CE LYS A 36 11.654 1.760 -7.510 1.00 53.31 C ATOM 531 NZ LYS A 36 11.014 2.393 -6.324 1.00 12.32 N ATOM 0 H LYS A 36 8.020 -3.112 -10.249 1.00 73.44 H new ATOM 0 HA LYS A 36 9.210 -0.538 -11.023 1.00 1.23 H new ATOM 0 HB2 LYS A 36 9.397 -1.768 -8.406 1.00 5.43 H new ATOM 0 HB3 LYS A 36 10.969 -1.815 -9.177 1.00 5.43 H new ATOM 0 HG2 LYS A 36 10.589 0.699 -9.695 1.00 54.43 H new ATOM 0 HG3 LYS A 36 9.277 0.611 -8.537 1.00 54.43 H new ATOM 0 HD2 LYS A 36 10.773 -0.047 -6.756 1.00 4.22 H new ATOM 0 HD3 LYS A 36 12.095 -0.310 -7.875 1.00 4.22 H new ATOM 0 HE2 LYS A 36 12.738 1.805 -7.405 1.00 53.31 H new ATOM 0 HE3 LYS A 36 11.397 2.325 -8.406 1.00 53.31 H new ATOM 0 HZ1 LYS A 36 11.019 3.427 -6.437 1.00 12.32 H new ATOM 0 HZ2 LYS A 36 10.033 2.059 -6.239 1.00 12.32 H new ATOM 0 HZ3 LYS A 36 11.542 2.136 -5.466 1.00 12.32 H new ATOM 545 N GLN A 37 10.932 -1.750 -12.347 1.00 14.14 N ATOM 546 CA GLN A 37 11.811 -2.474 -13.257 1.00 0.30 C ATOM 547 C GLN A 37 13.273 -2.136 -12.985 1.00 42.31 C ATOM 548 O GLN A 37 13.649 -0.964 -12.926 1.00 73.41 O ATOM 549 CB GLN A 37 11.460 -2.144 -14.709 1.00 4.52 C ATOM 550 CG GLN A 37 9.968 -2.168 -14.995 1.00 15.42 C ATOM 551 CD GLN A 37 9.363 -3.547 -14.823 1.00 73.13 C ATOM 552 OE1 GLN A 37 8.688 -3.823 -13.831 1.00 25.04 O ATOM 553 NE2 GLN A 37 9.601 -4.423 -15.793 1.00 11.23 N ATOM 0 H GLN A 37 10.923 -0.739 -12.484 1.00 14.14 H new ATOM 0 HA GLN A 37 11.667 -3.541 -13.090 1.00 0.30 H new ATOM 0 HB2 GLN A 37 11.852 -1.157 -14.953 1.00 4.52 H new ATOM 0 HB3 GLN A 37 11.959 -2.857 -15.366 1.00 4.52 H new ATOM 0 HG2 GLN A 37 9.463 -1.468 -14.329 1.00 15.42 H new ATOM 0 HG3 GLN A 37 9.792 -1.822 -16.014 1.00 15.42 H new ATOM 0 HE21 GLN A 37 10.166 -4.152 -16.598 1.00 11.23 H new ATOM 0 HE22 GLN A 37 9.219 -5.367 -15.733 1.00 11.23 H new ATOM 562 N ILE A 38 14.093 -3.168 -12.820 1.00 21.10 N ATOM 563 CA ILE A 38 15.514 -2.980 -12.555 1.00 50.21 C ATOM 564 C ILE A 38 16.348 -4.061 -13.233 1.00 73.54 C ATOM 565 O ILE A 38 15.809 -5.016 -13.794 1.00 62.21 O ATOM 566 CB ILE A 38 15.811 -2.990 -11.044 1.00 22.51 C ATOM 567 CG1 ILE A 38 15.821 -4.426 -10.514 1.00 43.22 C ATOM 568 CG2 ILE A 38 14.786 -2.151 -10.297 1.00 35.45 C ATOM 569 CD1 ILE A 38 14.517 -5.160 -10.734 1.00 23.30 C ATOM 0 H ILE A 38 13.798 -4.143 -12.865 1.00 21.10 H new ATOM 0 HA ILE A 38 15.785 -2.006 -12.964 1.00 50.21 H new ATOM 0 HB ILE A 38 16.797 -2.555 -10.879 1.00 22.51 H new ATOM 0 HG12 ILE A 38 16.626 -4.978 -10.999 1.00 43.22 H new ATOM 0 HG13 ILE A 38 16.044 -4.409 -9.447 1.00 43.22 H new ATOM 0 HG21 ILE A 38 15.010 -2.168 -9.230 1.00 35.45 H new ATOM 0 HG22 ILE A 38 14.823 -1.124 -10.659 1.00 35.45 H new ATOM 0 HG23 ILE A 38 13.789 -2.559 -10.465 1.00 35.45 H new ATOM 0 HD11 ILE A 38 14.596 -6.171 -10.334 1.00 23.30 H new ATOM 0 HD12 ILE A 38 13.711 -4.631 -10.225 1.00 23.30 H new ATOM 0 HD13 ILE A 38 14.302 -5.208 -11.802 1.00 23.30 H new ATOM 581 N LYS A 39 17.666 -3.907 -13.177 1.00 42.22 N ATOM 582 CA LYS A 39 18.577 -4.871 -13.783 1.00 33.11 C ATOM 583 C LYS A 39 18.816 -6.054 -12.850 1.00 32.00 C ATOM 584 O LYS A 39 18.557 -5.971 -11.649 1.00 22.11 O ATOM 585 CB LYS A 39 19.909 -4.200 -14.125 1.00 20.40 C ATOM 586 CG LYS A 39 20.007 -3.745 -15.571 1.00 24.42 C ATOM 587 CD LYS A 39 21.110 -2.716 -15.758 1.00 34.32 C ATOM 588 CE LYS A 39 20.698 -1.632 -16.742 1.00 3.45 C ATOM 589 NZ LYS A 39 20.279 -2.201 -18.052 1.00 20.20 N ATOM 0 H LYS A 39 18.128 -3.122 -12.717 1.00 42.22 H new ATOM 0 HA LYS A 39 18.118 -5.241 -14.700 1.00 33.11 H new ATOM 0 HB2 LYS A 39 20.051 -3.339 -13.472 1.00 20.40 H new ATOM 0 HB3 LYS A 39 20.721 -4.896 -13.916 1.00 20.40 H new ATOM 0 HG2 LYS A 39 20.198 -4.606 -16.212 1.00 24.42 H new ATOM 0 HG3 LYS A 39 19.054 -3.319 -15.885 1.00 24.42 H new ATOM 0 HD2 LYS A 39 21.354 -2.263 -14.797 1.00 34.32 H new ATOM 0 HD3 LYS A 39 22.013 -3.210 -16.116 1.00 34.32 H new ATOM 0 HE2 LYS A 39 19.878 -1.051 -16.320 1.00 3.45 H new ATOM 0 HE3 LYS A 39 21.530 -0.945 -16.894 1.00 3.45 H new ATOM 0 HZ1 LYS A 39 20.169 -1.433 -18.745 1.00 20.20 H new ATOM 0 HZ2 LYS A 39 21.002 -2.869 -18.387 1.00 20.20 H new ATOM 0 HZ3 LYS A 39 19.373 -2.699 -17.940 1.00 20.20 H new ATOM 603 N ILE A 40 19.312 -7.152 -13.410 1.00 33.33 N ATOM 604 CA ILE A 40 19.588 -8.350 -12.627 1.00 32.34 C ATOM 605 C ILE A 40 20.491 -8.035 -11.439 1.00 50.22 C ATOM 606 O ILE A 40 20.321 -8.586 -10.351 1.00 14.40 O ATOM 607 CB ILE A 40 20.251 -9.444 -13.485 1.00 54.32 C ATOM 608 CG1 ILE A 40 20.523 -10.690 -12.641 1.00 72.40 C ATOM 609 CG2 ILE A 40 21.540 -8.923 -14.102 1.00 61.45 C ATOM 610 CD1 ILE A 40 19.275 -11.295 -12.036 1.00 1.43 C ATOM 0 H ILE A 40 19.531 -7.237 -14.403 1.00 33.33 H new ATOM 0 HA ILE A 40 18.628 -8.717 -12.264 1.00 32.34 H new ATOM 0 HB ILE A 40 19.569 -9.717 -14.291 1.00 54.32 H new ATOM 0 HG12 ILE A 40 21.016 -11.439 -13.261 1.00 72.40 H new ATOM 0 HG13 ILE A 40 21.217 -10.432 -11.841 1.00 72.40 H new ATOM 0 HG21 ILE A 40 21.997 -9.707 -14.706 1.00 61.45 H new ATOM 0 HG22 ILE A 40 21.319 -8.062 -14.733 1.00 61.45 H new ATOM 0 HG23 ILE A 40 22.228 -8.626 -13.311 1.00 61.45 H new ATOM 0 HD11 ILE A 40 19.544 -12.175 -11.451 1.00 1.43 H new ATOM 0 HD12 ILE A 40 18.792 -10.563 -11.389 1.00 1.43 H new ATOM 0 HD13 ILE A 40 18.588 -11.584 -12.832 1.00 1.43 H new ATOM 622 N THR A 41 21.453 -7.143 -11.655 1.00 13.53 N ATOM 623 CA THR A 41 22.383 -6.752 -10.603 1.00 31.32 C ATOM 624 C THR A 41 21.915 -5.484 -9.898 1.00 21.44 C ATOM 625 O THR A 41 22.727 -4.704 -9.402 1.00 21.23 O ATOM 626 CB THR A 41 23.799 -6.522 -11.163 1.00 4.15 C ATOM 627 OG1 THR A 41 24.698 -6.185 -10.099 1.00 75.33 O ATOM 628 CG2 THR A 41 23.797 -5.411 -12.202 1.00 15.03 C ATOM 0 H THR A 41 21.608 -6.678 -12.549 1.00 13.53 H new ATOM 0 HA THR A 41 22.412 -7.572 -9.886 1.00 31.32 H new ATOM 0 HB THR A 41 24.131 -7.444 -11.641 1.00 4.15 H new ATOM 0 HG1 THR A 41 24.309 -5.467 -9.558 1.00 75.33 H new ATOM 0 HG21 THR A 41 24.808 -5.267 -12.583 1.00 15.03 H new ATOM 0 HG22 THR A 41 23.135 -5.683 -13.024 1.00 15.03 H new ATOM 0 HG23 THR A 41 23.447 -4.486 -11.745 1.00 15.03 H new ATOM 636 N GLU A 42 20.601 -5.286 -9.856 1.00 62.14 N ATOM 637 CA GLU A 42 20.027 -4.112 -9.211 1.00 54.51 C ATOM 638 C GLU A 42 19.094 -4.517 -8.073 1.00 63.32 C ATOM 639 O GLU A 42 18.821 -3.729 -7.168 1.00 43.20 O ATOM 640 CB GLU A 42 19.265 -3.263 -10.231 1.00 74.13 C ATOM 641 CG GLU A 42 19.008 -1.839 -9.768 1.00 52.02 C ATOM 642 CD GLU A 42 18.816 -0.876 -10.923 1.00 54.52 C ATOM 643 OE1 GLU A 42 18.162 0.169 -10.723 1.00 14.02 O ATOM 644 OE2 GLU A 42 19.320 -1.167 -12.028 1.00 41.20 O ATOM 0 H GLU A 42 19.915 -5.923 -10.261 1.00 62.14 H new ATOM 0 HA GLU A 42 20.844 -3.522 -8.796 1.00 54.51 H new ATOM 0 HB2 GLU A 42 19.830 -3.237 -11.163 1.00 74.13 H new ATOM 0 HB3 GLU A 42 18.311 -3.743 -10.450 1.00 74.13 H new ATOM 0 HG2 GLU A 42 18.122 -1.821 -9.134 1.00 52.02 H new ATOM 0 HG3 GLU A 42 19.845 -1.503 -9.155 1.00 52.02 H new ATOM 651 N VAL A 43 18.608 -5.753 -8.127 1.00 21.44 N ATOM 652 CA VAL A 43 17.707 -6.265 -7.101 1.00 71.42 C ATOM 653 C VAL A 43 18.428 -6.429 -5.768 1.00 13.53 C ATOM 654 O VAL A 43 17.804 -6.416 -4.707 1.00 41.23 O ATOM 655 CB VAL A 43 17.100 -7.620 -7.513 1.00 55.40 C ATOM 656 CG1 VAL A 43 18.198 -8.620 -7.841 1.00 54.33 C ATOM 657 CG2 VAL A 43 16.193 -8.153 -6.414 1.00 53.41 C ATOM 0 H VAL A 43 18.823 -6.418 -8.870 1.00 21.44 H new ATOM 0 HA VAL A 43 16.906 -5.534 -6.990 1.00 71.42 H new ATOM 0 HB VAL A 43 16.498 -7.471 -8.410 1.00 55.40 H new ATOM 0 HG11 VAL A 43 17.750 -9.571 -8.130 1.00 54.33 H new ATOM 0 HG12 VAL A 43 18.803 -8.239 -8.664 1.00 54.33 H new ATOM 0 HG13 VAL A 43 18.829 -8.768 -6.965 1.00 54.33 H new ATOM 0 HG21 VAL A 43 15.773 -9.111 -6.722 1.00 53.41 H new ATOM 0 HG22 VAL A 43 16.770 -8.287 -5.499 1.00 53.41 H new ATOM 0 HG23 VAL A 43 15.385 -7.444 -6.233 1.00 53.41 H new ATOM 667 N GLY A 44 19.747 -6.582 -5.829 1.00 41.41 N ATOM 668 CA GLY A 44 20.532 -6.745 -4.619 1.00 40.25 C ATOM 669 C GLY A 44 20.157 -5.743 -3.546 1.00 2.15 C ATOM 670 O GLY A 44 19.617 -6.097 -2.497 1.00 71.14 O ATOM 0 H GLY A 44 20.286 -6.596 -6.695 1.00 41.41 H new ATOM 0 HA2 GLY A 44 20.394 -7.755 -4.233 1.00 40.25 H new ATOM 0 HA3 GLY A 44 21.590 -6.637 -4.859 1.00 40.25 H new ATOM 674 N PRO A 45 20.448 -4.459 -3.801 1.00 53.34 N ATOM 675 CA PRO A 45 20.147 -3.376 -2.860 1.00 23.23 C ATOM 676 C PRO A 45 18.650 -3.115 -2.736 1.00 2.34 C ATOM 677 O PRO A 45 18.189 -2.546 -1.745 1.00 65.05 O ATOM 678 CB PRO A 45 20.853 -2.165 -3.475 1.00 14.12 C ATOM 679 CG PRO A 45 20.933 -2.472 -4.930 1.00 64.43 C ATOM 680 CD PRO A 45 21.091 -3.964 -5.030 1.00 65.51 C ATOM 0 HA PRO A 45 20.478 -3.611 -1.849 1.00 23.23 H new ATOM 0 HB2 PRO A 45 20.294 -1.247 -3.294 1.00 14.12 H new ATOM 0 HB3 PRO A 45 21.845 -2.024 -3.045 1.00 14.12 H new ATOM 0 HG2 PRO A 45 20.034 -2.139 -5.449 1.00 64.43 H new ATOM 0 HG3 PRO A 45 21.776 -1.958 -5.391 1.00 64.43 H new ATOM 0 HD2 PRO A 45 20.608 -4.360 -5.923 1.00 65.51 H new ATOM 0 HD3 PRO A 45 22.140 -4.254 -5.079 1.00 65.51 H new ATOM 688 N TYR A 46 17.896 -3.533 -3.746 1.00 34.35 N ATOM 689 CA TYR A 46 16.450 -3.342 -3.750 1.00 21.30 C ATOM 690 C TYR A 46 15.739 -4.552 -3.152 1.00 31.15 C ATOM 691 O TYR A 46 14.676 -4.955 -3.622 1.00 34.24 O ATOM 692 CB TYR A 46 15.951 -3.097 -5.175 1.00 45.10 C ATOM 693 CG TYR A 46 16.236 -1.702 -5.684 1.00 51.13 C ATOM 694 CD1 TYR A 46 15.942 -0.586 -4.911 1.00 3.44 C ATOM 695 CD2 TYR A 46 16.797 -1.500 -6.939 1.00 40.11 C ATOM 696 CE1 TYR A 46 16.200 0.691 -5.372 1.00 33.11 C ATOM 697 CE2 TYR A 46 17.059 -0.227 -7.408 1.00 22.22 C ATOM 698 CZ TYR A 46 16.759 0.865 -6.621 1.00 34.12 C ATOM 699 OH TYR A 46 17.017 2.134 -7.085 1.00 11.42 O ATOM 0 H TYR A 46 18.261 -4.006 -4.572 1.00 34.35 H new ATOM 0 HA TYR A 46 16.223 -2.470 -3.137 1.00 21.30 H new ATOM 0 HB2 TYR A 46 16.417 -3.821 -5.844 1.00 45.10 H new ATOM 0 HB3 TYR A 46 14.876 -3.275 -5.211 1.00 45.10 H new ATOM 0 HD1 TYR A 46 15.504 -0.719 -3.933 1.00 3.44 H new ATOM 0 HD2 TYR A 46 17.032 -2.353 -7.559 1.00 40.11 H new ATOM 0 HE1 TYR A 46 15.965 1.548 -4.758 1.00 33.11 H new ATOM 0 HE2 TYR A 46 17.496 -0.088 -8.386 1.00 22.22 H new ATOM 0 HH TYR A 46 17.412 2.081 -7.980 1.00 11.42 H new ATOM 709 N GLU A 47 16.335 -5.126 -2.111 1.00 12.42 N ATOM 710 CA GLU A 47 15.759 -6.290 -1.448 1.00 12.55 C ATOM 711 C GLU A 47 14.933 -5.871 -0.234 1.00 64.21 C ATOM 712 O GLU A 47 13.908 -6.480 0.072 1.00 12.40 O ATOM 713 CB GLU A 47 16.863 -7.258 -1.018 1.00 11.22 C ATOM 714 CG GLU A 47 17.193 -8.308 -2.065 1.00 45.43 C ATOM 715 CD GLU A 47 18.641 -8.756 -2.005 1.00 73.21 C ATOM 716 OE1 GLU A 47 19.086 -9.454 -2.940 1.00 54.12 O ATOM 717 OE2 GLU A 47 19.328 -8.409 -1.022 1.00 44.11 O ATOM 0 H GLU A 47 17.216 -4.804 -1.709 1.00 12.42 H new ATOM 0 HA GLU A 47 15.102 -6.792 -2.158 1.00 12.55 H new ATOM 0 HB2 GLU A 47 17.764 -6.689 -0.789 1.00 11.22 H new ATOM 0 HB3 GLU A 47 16.559 -7.757 -0.098 1.00 11.22 H new ATOM 0 HG2 GLU A 47 16.543 -9.172 -1.925 1.00 45.43 H new ATOM 0 HG3 GLU A 47 16.981 -7.907 -3.056 1.00 45.43 H new ATOM 724 N ASP A 48 15.389 -4.829 0.453 1.00 73.32 N ATOM 725 CA ASP A 48 14.693 -4.328 1.633 1.00 62.44 C ATOM 726 C ASP A 48 13.445 -3.547 1.236 1.00 14.43 C ATOM 727 O ASP A 48 12.322 -3.956 1.534 1.00 53.33 O ATOM 728 CB ASP A 48 15.624 -3.441 2.461 1.00 32.43 C ATOM 729 CG ASP A 48 14.937 -2.866 3.684 1.00 5.24 C ATOM 730 OD1 ASP A 48 13.873 -3.392 4.071 1.00 73.24 O ATOM 731 OD2 ASP A 48 15.466 -1.889 4.256 1.00 34.40 O ATOM 0 H ASP A 48 16.237 -4.315 0.213 1.00 73.32 H new ATOM 0 HA ASP A 48 14.388 -5.183 2.236 1.00 62.44 H new ATOM 0 HB2 ASP A 48 16.491 -4.022 2.774 1.00 32.43 H new ATOM 0 HB3 ASP A 48 15.994 -2.626 1.839 1.00 32.43 H new ATOM 736 N THR A 49 13.648 -2.418 0.564 1.00 52.12 N ATOM 737 CA THR A 49 12.539 -1.577 0.129 1.00 65.43 C ATOM 738 C THR A 49 11.497 -2.391 -0.630 1.00 64.02 C ATOM 739 O THR A 49 10.296 -2.228 -0.420 1.00 32.50 O ATOM 740 CB THR A 49 13.027 -0.425 -0.769 1.00 4.42 C ATOM 741 OG1 THR A 49 11.906 0.289 -1.303 1.00 24.33 O ATOM 742 CG2 THR A 49 13.888 -0.952 -1.907 1.00 2.21 C ATOM 0 H THR A 49 14.570 -2.065 0.309 1.00 52.12 H new ATOM 0 HA THR A 49 12.086 -1.160 1.029 1.00 65.43 H new ATOM 0 HB THR A 49 13.630 0.249 -0.161 1.00 4.42 H new ATOM 0 HG1 THR A 49 12.225 1.020 -1.872 1.00 24.33 H new ATOM 0 HG21 THR A 49 14.221 -0.120 -2.527 1.00 2.21 H new ATOM 0 HG22 THR A 49 14.756 -1.469 -1.497 1.00 2.21 H new ATOM 0 HG23 THR A 49 13.305 -1.646 -2.513 1.00 2.21 H new ATOM 750 N ALA A 50 11.966 -3.267 -1.513 1.00 35.42 N ATOM 751 CA ALA A 50 11.073 -4.109 -2.301 1.00 4.41 C ATOM 752 C ALA A 50 10.514 -5.253 -1.462 1.00 42.22 C ATOM 753 O ALA A 50 11.184 -5.760 -0.562 1.00 71.45 O ATOM 754 CB ALA A 50 11.802 -4.653 -3.521 1.00 11.22 C ATOM 0 H ALA A 50 12.958 -3.412 -1.701 1.00 35.42 H new ATOM 0 HA ALA A 50 10.236 -3.496 -2.635 1.00 4.41 H new ATOM 0 HB1 ALA A 50 11.124 -5.280 -4.100 1.00 11.22 H new ATOM 0 HB2 ALA A 50 12.147 -3.824 -4.139 1.00 11.22 H new ATOM 0 HB3 ALA A 50 12.658 -5.246 -3.199 1.00 11.22 H new ATOM 760 N ASP A 51 9.284 -5.653 -1.762 1.00 72.52 N ATOM 761 CA ASP A 51 8.635 -6.739 -1.036 1.00 15.53 C ATOM 762 C ASP A 51 8.715 -8.043 -1.822 1.00 23.53 C ATOM 763 O ASP A 51 9.260 -9.038 -1.340 1.00 74.12 O ATOM 764 CB ASP A 51 7.173 -6.389 -0.753 1.00 13.40 C ATOM 765 CG ASP A 51 7.029 -5.316 0.309 1.00 60.11 C ATOM 766 OD1 ASP A 51 7.509 -4.187 0.079 1.00 1.53 O ATOM 767 OD2 ASP A 51 6.437 -5.607 1.370 1.00 43.52 O ATOM 0 H ASP A 51 8.716 -5.242 -2.503 1.00 72.52 H new ATOM 0 HA ASP A 51 9.159 -6.874 -0.090 1.00 15.53 H new ATOM 0 HB2 ASP A 51 6.699 -6.050 -1.674 1.00 13.40 H new ATOM 0 HB3 ASP A 51 6.643 -7.286 -0.433 1.00 13.40 H new ATOM 772 N LEU A 52 8.170 -8.033 -3.033 1.00 35.33 N ATOM 773 CA LEU A 52 8.179 -9.217 -3.886 1.00 54.50 C ATOM 774 C LEU A 52 9.185 -9.061 -5.022 1.00 32.12 C ATOM 775 O LEU A 52 9.533 -7.945 -5.409 1.00 54.31 O ATOM 776 CB LEU A 52 6.782 -9.468 -4.457 1.00 62.14 C ATOM 777 CG LEU A 52 5.831 -10.276 -3.574 1.00 12.54 C ATOM 778 CD1 LEU A 52 6.376 -11.676 -3.343 1.00 21.33 C ATOM 779 CD2 LEU A 52 5.602 -9.565 -2.248 1.00 3.24 C ATOM 0 H LEU A 52 7.716 -7.219 -3.447 1.00 35.33 H new ATOM 0 HA LEU A 52 8.475 -10.072 -3.278 1.00 54.50 H new ATOM 0 HB2 LEU A 52 6.319 -8.504 -4.668 1.00 62.14 H new ATOM 0 HB3 LEU A 52 6.889 -9.986 -5.410 1.00 62.14 H new ATOM 0 HG LEU A 52 4.874 -10.362 -4.088 1.00 12.54 H new ATOM 0 HD11 LEU A 52 5.685 -12.236 -2.712 1.00 21.33 H new ATOM 0 HD12 LEU A 52 6.488 -12.185 -4.300 1.00 21.33 H new ATOM 0 HD13 LEU A 52 7.346 -11.612 -2.851 1.00 21.33 H new ATOM 0 HD21 LEU A 52 4.923 -10.154 -1.632 1.00 3.24 H new ATOM 0 HD22 LEU A 52 6.553 -9.448 -1.729 1.00 3.24 H new ATOM 0 HD23 LEU A 52 5.166 -8.583 -2.432 1.00 3.24 H new ATOM 791 N LEU A 53 9.648 -10.187 -5.553 1.00 73.22 N ATOM 792 CA LEU A 53 10.613 -10.177 -6.647 1.00 52.21 C ATOM 793 C LEU A 53 10.334 -11.310 -7.630 1.00 4.14 C ATOM 794 O LEU A 53 10.079 -12.445 -7.228 1.00 31.20 O ATOM 795 CB LEU A 53 12.036 -10.300 -6.099 1.00 53.53 C ATOM 796 CG LEU A 53 13.117 -10.668 -7.116 1.00 32.22 C ATOM 797 CD1 LEU A 53 13.280 -9.562 -8.147 1.00 10.05 C ATOM 798 CD2 LEU A 53 14.438 -10.944 -6.413 1.00 1.22 C ATOM 0 H LEU A 53 9.371 -11.119 -5.244 1.00 73.22 H new ATOM 0 HA LEU A 53 10.515 -9.229 -7.177 1.00 52.21 H new ATOM 0 HB2 LEU A 53 12.309 -9.352 -5.636 1.00 53.53 H new ATOM 0 HB3 LEU A 53 12.036 -11.052 -5.310 1.00 53.53 H new ATOM 0 HG LEU A 53 12.807 -11.576 -7.634 1.00 32.22 H new ATOM 0 HD11 LEU A 53 14.054 -9.842 -8.862 1.00 10.05 H new ATOM 0 HD12 LEU A 53 12.337 -9.413 -8.673 1.00 10.05 H new ATOM 0 HD13 LEU A 53 13.567 -8.637 -7.646 1.00 10.05 H new ATOM 0 HD21 LEU A 53 15.196 -11.204 -7.152 1.00 1.22 H new ATOM 0 HD22 LEU A 53 14.753 -10.054 -5.868 1.00 1.22 H new ATOM 0 HD23 LEU A 53 14.313 -11.772 -5.715 1.00 1.22 H new ATOM 810 N VAL A 54 10.388 -10.994 -8.920 1.00 32.23 N ATOM 811 CA VAL A 54 10.145 -11.986 -9.960 1.00 72.22 C ATOM 812 C VAL A 54 11.360 -12.138 -10.869 1.00 35.42 C ATOM 813 O VAL A 54 11.873 -11.157 -11.408 1.00 22.42 O ATOM 814 CB VAL A 54 8.920 -11.613 -10.817 1.00 3.23 C ATOM 815 CG1 VAL A 54 8.583 -12.737 -11.784 1.00 54.23 C ATOM 816 CG2 VAL A 54 7.729 -11.287 -9.929 1.00 1.43 C ATOM 0 H VAL A 54 10.598 -10.059 -9.270 1.00 32.23 H new ATOM 0 HA VAL A 54 9.951 -12.933 -9.455 1.00 72.22 H new ATOM 0 HB VAL A 54 9.163 -10.725 -11.401 1.00 3.23 H new ATOM 0 HG11 VAL A 54 7.715 -12.456 -12.381 1.00 54.23 H new ATOM 0 HG12 VAL A 54 9.433 -12.918 -12.442 1.00 54.23 H new ATOM 0 HG13 VAL A 54 8.359 -13.644 -11.223 1.00 54.23 H new ATOM 0 HG21 VAL A 54 6.873 -11.026 -10.550 1.00 1.43 H new ATOM 0 HG22 VAL A 54 7.482 -12.155 -9.318 1.00 1.43 H new ATOM 0 HG23 VAL A 54 7.977 -10.446 -9.281 1.00 1.43 H new ATOM 826 N THR A 55 11.816 -13.376 -11.036 1.00 14.02 N ATOM 827 CA THR A 55 12.971 -13.658 -11.879 1.00 14.42 C ATOM 828 C THR A 55 12.952 -15.099 -12.374 1.00 34.33 C ATOM 829 O THR A 55 12.581 -16.015 -11.638 1.00 41.01 O ATOM 830 CB THR A 55 14.291 -13.402 -11.127 1.00 35.31 C ATOM 831 OG1 THR A 55 15.399 -13.848 -11.917 1.00 55.41 O ATOM 832 CG2 THR A 55 14.297 -14.120 -9.786 1.00 13.14 C ATOM 0 H THR A 55 11.403 -14.199 -10.598 1.00 14.02 H new ATOM 0 HA THR A 55 12.911 -12.983 -12.733 1.00 14.42 H new ATOM 0 HB THR A 55 14.380 -12.330 -10.948 1.00 35.31 H new ATOM 0 HG1 THR A 55 15.833 -14.606 -11.473 1.00 55.41 H new ATOM 0 HG21 THR A 55 15.239 -13.925 -9.273 1.00 13.14 H new ATOM 0 HG22 THR A 55 13.470 -13.758 -9.176 1.00 13.14 H new ATOM 0 HG23 THR A 55 14.187 -15.192 -9.947 1.00 13.14 H new ATOM 840 N THR A 56 13.354 -15.296 -13.625 1.00 41.04 N ATOM 841 CA THR A 56 13.383 -16.627 -14.219 1.00 12.31 C ATOM 842 C THR A 56 14.759 -17.265 -14.071 1.00 43.14 C ATOM 843 O THR A 56 15.255 -17.914 -14.992 1.00 51.22 O ATOM 844 CB THR A 56 13.007 -16.584 -15.712 1.00 35.20 C ATOM 845 OG1 THR A 56 14.081 -16.021 -16.472 1.00 42.52 O ATOM 846 CG2 THR A 56 11.742 -15.767 -15.928 1.00 41.53 C ATOM 0 H THR A 56 13.664 -14.550 -14.247 1.00 41.04 H new ATOM 0 HA THR A 56 12.648 -17.228 -13.684 1.00 12.31 H new ATOM 0 HB THR A 56 12.823 -17.605 -16.047 1.00 35.20 H new ATOM 0 HG1 THR A 56 13.816 -15.141 -16.811 1.00 42.52 H new ATOM 0 HG21 THR A 56 11.496 -15.751 -16.990 1.00 41.53 H new ATOM 0 HG22 THR A 56 10.919 -16.216 -15.372 1.00 41.53 H new ATOM 0 HG23 THR A 56 11.903 -14.748 -15.577 1.00 41.53 H new ATOM 854 N ALA A 57 15.372 -17.077 -12.907 1.00 51.11 N ATOM 855 CA ALA A 57 16.691 -17.637 -12.639 1.00 14.05 C ATOM 856 C ALA A 57 17.073 -17.462 -11.173 1.00 20.33 C ATOM 857 O ALA A 57 16.982 -16.364 -10.625 1.00 22.34 O ATOM 858 CB ALA A 57 17.732 -16.989 -13.539 1.00 24.34 C ATOM 0 H ALA A 57 14.976 -16.541 -12.135 1.00 51.11 H new ATOM 0 HA ALA A 57 16.656 -18.705 -12.854 1.00 14.05 H new ATOM 0 HB1 ALA A 57 18.712 -17.417 -13.328 1.00 24.34 H new ATOM 0 HB2 ALA A 57 17.474 -17.170 -14.582 1.00 24.34 H new ATOM 0 HB3 ALA A 57 17.757 -15.915 -13.352 1.00 24.34 H new ATOM 954 N TYR A 63 17.785 -14.697 -0.274 1.00 72.31 N ATOM 955 CA TYR A 63 16.734 -13.701 -0.448 1.00 21.41 C ATOM 956 C TYR A 63 15.876 -13.590 0.809 1.00 42.42 C ATOM 957 O TYR A 63 15.696 -14.563 1.541 1.00 10.21 O ATOM 958 CB TYR A 63 15.856 -14.060 -1.648 1.00 20.01 C ATOM 959 CG TYR A 63 16.520 -13.805 -2.982 1.00 65.30 C ATOM 960 CD1 TYR A 63 16.763 -14.847 -3.869 1.00 41.23 C ATOM 961 CD2 TYR A 63 16.907 -12.524 -3.355 1.00 15.21 C ATOM 962 CE1 TYR A 63 17.371 -14.619 -5.089 1.00 74.11 C ATOM 963 CE2 TYR A 63 17.513 -12.287 -4.573 1.00 41.41 C ATOM 964 CZ TYR A 63 17.743 -13.337 -5.437 1.00 22.35 C ATOM 965 OH TYR A 63 18.349 -13.105 -6.650 1.00 75.34 O ATOM 0 HA TYR A 63 17.208 -12.737 -0.629 1.00 21.41 H new ATOM 0 HB2 TYR A 63 15.581 -15.113 -1.584 1.00 20.01 H new ATOM 0 HB3 TYR A 63 14.931 -13.485 -1.596 1.00 20.01 H new ATOM 0 HD1 TYR A 63 16.472 -15.852 -3.600 1.00 41.23 H new ATOM 0 HD2 TYR A 63 16.731 -11.699 -2.681 1.00 15.21 H new ATOM 0 HE1 TYR A 63 17.554 -15.440 -5.766 1.00 74.11 H new ATOM 0 HE2 TYR A 63 17.805 -11.284 -4.848 1.00 41.41 H new ATOM 0 HH TYR A 63 18.546 -12.149 -6.740 1.00 75.34 H new ATOM 975 N LYS A 64 15.348 -12.395 1.052 1.00 3.22 N ATOM 976 CA LYS A 64 14.507 -12.153 2.218 1.00 1.33 C ATOM 977 C LYS A 64 13.038 -12.062 1.820 1.00 54.43 C ATOM 978 O LYS A 64 12.276 -11.282 2.392 1.00 0.31 O ATOM 979 CB LYS A 64 14.936 -10.864 2.923 1.00 1.05 C ATOM 980 CG LYS A 64 16.286 -10.968 3.612 1.00 42.44 C ATOM 981 CD LYS A 64 16.657 -9.670 4.310 1.00 30.34 C ATOM 982 CE LYS A 64 15.989 -9.560 5.673 1.00 64.54 C ATOM 983 NZ LYS A 64 15.988 -8.160 6.179 1.00 43.15 N ATOM 0 H LYS A 64 15.488 -11.579 0.457 1.00 3.22 H new ATOM 0 HA LYS A 64 14.628 -12.992 2.903 1.00 1.33 H new ATOM 0 HB2 LYS A 64 14.971 -10.055 2.193 1.00 1.05 H new ATOM 0 HB3 LYS A 64 14.181 -10.595 3.661 1.00 1.05 H new ATOM 0 HG2 LYS A 64 16.263 -11.780 4.339 1.00 42.44 H new ATOM 0 HG3 LYS A 64 17.052 -11.219 2.878 1.00 42.44 H new ATOM 0 HD2 LYS A 64 17.739 -9.616 4.428 1.00 30.34 H new ATOM 0 HD3 LYS A 64 16.361 -8.824 3.689 1.00 30.34 H new ATOM 0 HE2 LYS A 64 14.963 -9.922 5.605 1.00 64.54 H new ATOM 0 HE3 LYS A 64 16.507 -10.203 6.384 1.00 64.54 H new ATOM 0 HZ1 LYS A 64 15.524 -8.127 7.109 1.00 43.15 H new ATOM 0 HZ2 LYS A 64 16.968 -7.822 6.268 1.00 43.15 H new ATOM 0 HZ3 LYS A 64 15.471 -7.551 5.513 1.00 43.15 H new ATOM 997 N PHE A 65 12.645 -12.864 0.836 1.00 22.30 N ATOM 998 CA PHE A 65 11.266 -12.874 0.362 1.00 63.35 C ATOM 999 C PHE A 65 11.001 -14.096 -0.514 1.00 3.30 C ATOM 1000 O PHE A 65 11.916 -14.696 -1.079 1.00 33.21 O ATOM 1001 CB PHE A 65 10.965 -11.596 -0.423 1.00 2.52 C ATOM 1002 CG PHE A 65 12.078 -11.180 -1.342 1.00 2.12 C ATOM 1003 CD1 PHE A 65 12.735 -9.975 -1.155 1.00 3.54 C ATOM 1004 CD2 PHE A 65 12.467 -11.994 -2.393 1.00 72.32 C ATOM 1005 CE1 PHE A 65 13.760 -9.589 -1.998 1.00 62.12 C ATOM 1006 CE2 PHE A 65 13.491 -11.614 -3.240 1.00 22.53 C ATOM 1007 CZ PHE A 65 14.138 -10.410 -3.043 1.00 12.12 C ATOM 0 H PHE A 65 13.262 -13.516 0.351 1.00 22.30 H new ATOM 0 HA PHE A 65 10.610 -12.922 1.231 1.00 63.35 H new ATOM 0 HB2 PHE A 65 10.058 -11.744 -1.008 1.00 2.52 H new ATOM 0 HB3 PHE A 65 10.763 -10.787 0.279 1.00 2.52 H new ATOM 0 HD1 PHE A 65 12.443 -9.329 -0.340 1.00 3.54 H new ATOM 0 HD2 PHE A 65 11.964 -12.937 -2.553 1.00 72.32 H new ATOM 0 HE1 PHE A 65 14.265 -8.647 -1.840 1.00 62.12 H new ATOM 0 HE2 PHE A 65 13.785 -12.258 -4.055 1.00 22.53 H new ATOM 0 HZ PHE A 65 14.938 -10.111 -3.704 1.00 12.12 H new ATOM 1017 N PRO A 66 9.719 -14.473 -0.629 1.00 65.35 N ATOM 1018 CA PRO A 66 9.303 -15.626 -1.434 1.00 42.20 C ATOM 1019 C PRO A 66 9.467 -15.378 -2.930 1.00 21.23 C ATOM 1020 O PRO A 66 8.503 -15.057 -3.625 1.00 64.54 O ATOM 1021 CB PRO A 66 7.824 -15.791 -1.078 1.00 55.23 C ATOM 1022 CG PRO A 66 7.384 -14.434 -0.647 1.00 22.45 C ATOM 1023 CD PRO A 66 8.578 -13.804 0.016 1.00 13.11 C ATOM 0 HA PRO A 66 9.907 -16.509 -1.225 1.00 42.20 H new ATOM 0 HB2 PRO A 66 7.247 -16.141 -1.934 1.00 55.23 H new ATOM 0 HB3 PRO A 66 7.688 -16.523 -0.282 1.00 55.23 H new ATOM 0 HG2 PRO A 66 7.053 -13.842 -1.500 1.00 22.45 H new ATOM 0 HG3 PRO A 66 6.542 -14.497 0.043 1.00 22.45 H new ATOM 0 HD2 PRO A 66 8.603 -12.726 -0.142 1.00 13.11 H new ATOM 0 HD3 PRO A 66 8.573 -13.968 1.094 1.00 13.11 H new ATOM 1031 N VAL A 67 10.694 -15.530 -3.419 1.00 53.40 N ATOM 1032 CA VAL A 67 10.983 -15.324 -4.833 1.00 45.11 C ATOM 1033 C VAL A 67 10.034 -16.131 -5.712 1.00 1.24 C ATOM 1034 O VAL A 67 9.602 -17.221 -5.337 1.00 61.54 O ATOM 1035 CB VAL A 67 12.435 -15.714 -5.171 1.00 53.12 C ATOM 1036 CG1 VAL A 67 12.745 -15.404 -6.628 1.00 24.53 C ATOM 1037 CG2 VAL A 67 13.408 -14.998 -4.246 1.00 75.32 C ATOM 0 H VAL A 67 11.503 -15.795 -2.857 1.00 53.40 H new ATOM 0 HA VAL A 67 10.843 -14.262 -5.033 1.00 45.11 H new ATOM 0 HB VAL A 67 12.550 -16.787 -5.020 1.00 53.12 H new ATOM 0 HG11 VAL A 67 13.775 -15.686 -6.849 1.00 24.53 H new ATOM 0 HG12 VAL A 67 12.069 -15.967 -7.272 1.00 24.53 H new ATOM 0 HG13 VAL A 67 12.614 -14.337 -6.809 1.00 24.53 H new ATOM 0 HG21 VAL A 67 14.429 -15.285 -4.499 1.00 75.32 H new ATOM 0 HG22 VAL A 67 13.295 -13.920 -4.363 1.00 75.32 H new ATOM 0 HG23 VAL A 67 13.199 -15.275 -3.213 1.00 75.32 H new ATOM 1047 N ILE A 68 9.714 -15.588 -6.881 1.00 53.32 N ATOM 1048 CA ILE A 68 8.817 -16.258 -7.814 1.00 35.20 C ATOM 1049 C ILE A 68 9.460 -16.400 -9.189 1.00 75.24 C ATOM 1050 O ILE A 68 10.186 -15.516 -9.640 1.00 65.11 O ATOM 1051 CB ILE A 68 7.484 -15.499 -7.958 1.00 45.34 C ATOM 1052 CG1 ILE A 68 6.817 -15.331 -6.592 1.00 21.12 C ATOM 1053 CG2 ILE A 68 6.559 -16.230 -8.920 1.00 23.14 C ATOM 1054 CD1 ILE A 68 6.458 -16.643 -5.930 1.00 13.11 C ATOM 0 H ILE A 68 10.063 -14.686 -7.205 1.00 53.32 H new ATOM 0 HA ILE A 68 8.619 -17.249 -7.405 1.00 35.20 H new ATOM 0 HB ILE A 68 7.689 -14.509 -8.365 1.00 45.34 H new ATOM 0 HG12 ILE A 68 7.486 -14.773 -5.936 1.00 21.12 H new ATOM 0 HG13 ILE A 68 5.913 -14.733 -6.709 1.00 21.12 H new ATOM 0 HG21 ILE A 68 5.622 -15.681 -9.011 1.00 23.14 H new ATOM 0 HG22 ILE A 68 7.034 -16.301 -9.898 1.00 23.14 H new ATOM 0 HG23 ILE A 68 6.358 -17.232 -8.541 1.00 23.14 H new ATOM 0 HD11 ILE A 68 5.989 -16.448 -4.966 1.00 13.11 H new ATOM 0 HD12 ILE A 68 5.765 -17.194 -6.566 1.00 13.11 H new ATOM 0 HD13 ILE A 68 7.361 -17.235 -5.781 1.00 13.11 H new ATOM 1066 N ASN A 69 9.185 -17.519 -9.852 1.00 53.13 N ATOM 1067 CA ASN A 69 9.735 -17.777 -11.178 1.00 4.31 C ATOM 1068 C ASN A 69 8.775 -17.308 -12.267 1.00 32.23 C ATOM 1069 O ASN A 69 7.574 -17.571 -12.205 1.00 23.34 O ATOM 1070 CB ASN A 69 10.030 -19.268 -11.349 1.00 70.34 C ATOM 1071 CG ASN A 69 8.837 -20.137 -10.999 1.00 63.15 C ATOM 1072 OD1 ASN A 69 8.513 -20.322 -9.826 1.00 55.44 O ATOM 1073 ND2 ASN A 69 8.179 -20.676 -12.019 1.00 14.11 N ATOM 0 H ASN A 69 8.585 -18.261 -9.493 1.00 53.13 H new ATOM 0 HA ASN A 69 10.665 -17.216 -11.273 1.00 4.31 H new ATOM 0 HB2 ASN A 69 10.327 -19.461 -12.380 1.00 70.34 H new ATOM 0 HB3 ASN A 69 10.875 -19.543 -10.717 1.00 70.34 H new ATOM 0 HD21 ASN A 69 7.369 -21.271 -11.846 1.00 14.11 H new ATOM 0 HD22 ASN A 69 8.484 -20.495 -12.975 1.00 14.11 H new ATOM 1080 N ALA A 70 9.313 -16.613 -13.263 1.00 55.24 N ATOM 1081 CA ALA A 70 8.504 -16.110 -14.367 1.00 42.12 C ATOM 1082 C ALA A 70 8.667 -16.981 -15.608 1.00 41.23 C ATOM 1083 O ALA A 70 8.652 -16.483 -16.734 1.00 41.30 O ATOM 1084 CB ALA A 70 8.876 -14.668 -14.679 1.00 50.14 C ATOM 0 H ALA A 70 10.305 -16.385 -13.329 1.00 55.24 H new ATOM 0 HA ALA A 70 7.457 -16.146 -14.065 1.00 42.12 H new ATOM 0 HB1 ALA A 70 8.264 -14.305 -15.505 1.00 50.14 H new ATOM 0 HB2 ALA A 70 8.702 -14.049 -13.799 1.00 50.14 H new ATOM 0 HB3 ALA A 70 9.929 -14.616 -14.957 1.00 50.14 H new ATOM 1090 N ARG A 71 8.823 -18.283 -15.395 1.00 64.32 N ATOM 1091 CA ARG A 71 8.991 -19.223 -16.497 1.00 61.01 C ATOM 1092 C ARG A 71 7.822 -19.130 -17.474 1.00 23.13 C ATOM 1093 O ARG A 71 7.998 -19.274 -18.683 1.00 1.23 O ATOM 1094 CB ARG A 71 9.111 -20.652 -15.963 1.00 43.43 C ATOM 1095 CG ARG A 71 10.394 -20.906 -15.188 1.00 73.43 C ATOM 1096 CD ARG A 71 11.194 -22.049 -15.795 1.00 14.33 C ATOM 1097 NE ARG A 71 11.435 -21.851 -17.221 1.00 45.43 N ATOM 1098 CZ ARG A 71 11.746 -22.835 -18.058 1.00 14.23 C ATOM 1099 NH1 ARG A 71 11.851 -24.079 -17.613 1.00 35.35 N ATOM 1100 NH2 ARG A 71 11.951 -22.575 -19.343 1.00 20.13 N ATOM 0 H ARG A 71 8.837 -18.711 -14.469 1.00 64.32 H new ATOM 0 HA ARG A 71 9.907 -18.962 -17.027 1.00 61.01 H new ATOM 0 HB2 ARG A 71 8.259 -20.862 -15.317 1.00 43.43 H new ATOM 0 HB3 ARG A 71 9.057 -21.349 -16.799 1.00 43.43 H new ATOM 0 HG2 ARG A 71 11.000 -20.000 -15.179 1.00 73.43 H new ATOM 0 HG3 ARG A 71 10.154 -21.139 -14.151 1.00 73.43 H new ATOM 0 HD2 ARG A 71 12.148 -22.140 -15.275 1.00 14.33 H new ATOM 0 HD3 ARG A 71 10.658 -22.986 -15.645 1.00 14.33 H new ATOM 0 HE ARG A 71 11.361 -20.905 -17.596 1.00 45.43 H new ATOM 0 HH11 ARG A 71 11.693 -24.283 -16.626 1.00 35.35 H new ATOM 0 HH12 ARG A 71 12.090 -24.833 -18.257 1.00 35.35 H new ATOM 0 HH21 ARG A 71 11.870 -21.619 -19.689 1.00 20.13 H new ATOM 0 HH22 ARG A 71 12.190 -23.331 -19.985 1.00 20.13 H new ATOM 1114 N ASN A 72 6.629 -18.889 -16.939 1.00 64.35 N ATOM 1115 CA ASN A 72 5.431 -18.778 -17.764 1.00 22.44 C ATOM 1116 C ASN A 72 5.410 -17.452 -18.517 1.00 12.45 C ATOM 1117 O ASN A 72 4.920 -17.373 -19.644 1.00 5.25 O ATOM 1118 CB ASN A 72 4.177 -18.906 -16.897 1.00 0.14 C ATOM 1119 CG ASN A 72 3.826 -20.350 -16.597 1.00 75.42 C ATOM 1120 OD1 ASN A 72 4.492 -21.273 -17.066 1.00 61.12 O ATOM 1121 ND2 ASN A 72 2.773 -20.553 -15.813 1.00 4.33 N ATOM 0 H ASN A 72 6.466 -18.767 -15.939 1.00 64.35 H new ATOM 0 HA ASN A 72 5.445 -19.588 -18.493 1.00 22.44 H new ATOM 0 HB2 ASN A 72 4.330 -18.370 -15.960 1.00 0.14 H new ATOM 0 HB3 ASN A 72 3.338 -18.429 -17.404 1.00 0.14 H new ATOM 0 HD21 ASN A 72 2.488 -21.504 -15.578 1.00 4.33 H new ATOM 0 HD22 ASN A 72 2.250 -19.758 -15.446 1.00 4.33 H new ATOM 1128 N PHE A 73 5.944 -16.411 -17.886 1.00 64.10 N ATOM 1129 CA PHE A 73 5.987 -15.087 -18.496 1.00 33.04 C ATOM 1130 C PHE A 73 6.845 -15.096 -19.757 1.00 60.32 C ATOM 1131 O PHE A 73 6.630 -14.303 -20.674 1.00 52.43 O ATOM 1132 CB PHE A 73 6.534 -14.061 -17.501 1.00 34.44 C ATOM 1133 CG PHE A 73 5.518 -13.602 -16.494 1.00 31.22 C ATOM 1134 CD1 PHE A 73 5.431 -14.209 -15.251 1.00 72.45 C ATOM 1135 CD2 PHE A 73 4.650 -12.564 -16.790 1.00 51.31 C ATOM 1136 CE1 PHE A 73 4.498 -13.789 -14.323 1.00 35.14 C ATOM 1137 CE2 PHE A 73 3.715 -12.139 -15.865 1.00 50.22 C ATOM 1138 CZ PHE A 73 3.638 -12.753 -14.630 1.00 72.04 C ATOM 0 H PHE A 73 6.353 -16.459 -16.953 1.00 64.10 H new ATOM 0 HA PHE A 73 4.970 -14.809 -18.772 1.00 33.04 H new ATOM 0 HB2 PHE A 73 7.385 -14.494 -16.975 1.00 34.44 H new ATOM 0 HB3 PHE A 73 6.906 -13.196 -18.050 1.00 34.44 H new ATOM 0 HD1 PHE A 73 6.101 -15.020 -15.005 1.00 72.45 H new ATOM 0 HD2 PHE A 73 4.704 -12.081 -17.755 1.00 51.31 H new ATOM 0 HE1 PHE A 73 4.441 -14.271 -13.358 1.00 35.14 H new ATOM 0 HE2 PHE A 73 3.045 -11.327 -16.108 1.00 50.22 H new ATOM 0 HZ PHE A 73 2.907 -12.424 -13.906 1.00 72.04 H new ATOM 1148 N LEU A 74 7.819 -15.999 -19.796 1.00 72.01 N ATOM 1149 CA LEU A 74 8.711 -16.113 -20.944 1.00 43.45 C ATOM 1150 C LEU A 74 7.918 -16.179 -22.246 1.00 24.31 C ATOM 1151 O LEU A 74 8.348 -15.658 -23.275 1.00 40.44 O ATOM 1152 CB LEU A 74 9.595 -17.354 -20.808 1.00 13.11 C ATOM 1153 CG LEU A 74 11.100 -17.125 -20.947 1.00 2.24 C ATOM 1154 CD1 LEU A 74 11.410 -16.372 -22.231 1.00 74.55 C ATOM 1155 CD2 LEU A 74 11.638 -16.368 -19.741 1.00 32.23 C ATOM 0 H LEU A 74 8.011 -16.663 -19.046 1.00 72.01 H new ATOM 0 HA LEU A 74 9.344 -15.226 -20.970 1.00 43.45 H new ATOM 0 HB2 LEU A 74 9.405 -17.806 -19.834 1.00 13.11 H new ATOM 0 HB3 LEU A 74 9.287 -18.079 -21.561 1.00 13.11 H new ATOM 0 HG LEU A 74 11.592 -18.096 -20.992 1.00 2.24 H new ATOM 0 HD11 LEU A 74 12.486 -16.219 -22.312 1.00 74.55 H new ATOM 0 HD12 LEU A 74 11.061 -16.951 -23.086 1.00 74.55 H new ATOM 0 HD13 LEU A 74 10.906 -15.406 -22.217 1.00 74.55 H new ATOM 0 HD21 LEU A 74 12.711 -16.214 -19.857 1.00 32.23 H new ATOM 0 HD22 LEU A 74 11.139 -15.402 -19.665 1.00 32.23 H new ATOM 0 HD23 LEU A 74 11.450 -16.945 -18.836 1.00 32.23 H new ATOM 1207 N GLY A 78 0.998 -17.923 -19.117 1.00 74.32 N ATOM 1208 CA GLY A 78 0.770 -18.396 -17.764 1.00 4.31 C ATOM 1209 C GLY A 78 0.914 -17.293 -16.733 1.00 62.53 C ATOM 1210 O GLY A 78 1.962 -17.160 -16.100 1.00 13.12 O ATOM 0 HA2 GLY A 78 -0.230 -18.825 -17.696 1.00 4.31 H new ATOM 0 HA3 GLY A 78 1.476 -19.195 -17.538 1.00 4.31 H new ATOM 1214 N ILE A 79 -0.139 -16.501 -16.566 1.00 32.21 N ATOM 1215 CA ILE A 79 -0.125 -15.405 -15.605 1.00 41.24 C ATOM 1216 C ILE A 79 -1.304 -15.501 -14.643 1.00 70.53 C ATOM 1217 O ILE A 79 -1.769 -14.493 -14.114 1.00 13.12 O ATOM 1218 CB ILE A 79 -0.164 -14.037 -16.312 1.00 11.11 C ATOM 1219 CG1 ILE A 79 0.736 -14.051 -17.549 1.00 22.30 C ATOM 1220 CG2 ILE A 79 0.260 -12.934 -15.354 1.00 42.31 C ATOM 1221 CD1 ILE A 79 0.760 -12.735 -18.294 1.00 71.35 C ATOM 0 H ILE A 79 -1.013 -16.597 -17.083 1.00 32.21 H new ATOM 0 HA ILE A 79 0.806 -15.489 -15.044 1.00 41.24 H new ATOM 0 HB ILE A 79 -1.187 -13.840 -16.633 1.00 11.11 H new ATOM 0 HG12 ILE A 79 1.752 -14.306 -17.247 1.00 22.30 H new ATOM 0 HG13 ILE A 79 0.398 -14.836 -18.225 1.00 22.30 H new ATOM 0 HG21 ILE A 79 0.227 -11.973 -15.868 1.00 42.31 H new ATOM 0 HG22 ILE A 79 -0.418 -12.912 -14.501 1.00 42.31 H new ATOM 0 HG23 ILE A 79 1.275 -13.125 -15.006 1.00 42.31 H new ATOM 0 HD11 ILE A 79 1.418 -12.818 -19.159 1.00 71.35 H new ATOM 0 HD12 ILE A 79 -0.248 -12.487 -18.627 1.00 71.35 H new ATOM 0 HD13 ILE A 79 1.127 -11.950 -17.633 1.00 71.35 H new ATOM 1233 N GLU A 80 -1.781 -16.722 -14.421 1.00 21.30 N ATOM 1234 CA GLU A 80 -2.905 -16.950 -13.521 1.00 75.21 C ATOM 1235 C GLU A 80 -2.527 -17.931 -12.415 1.00 0.43 C ATOM 1236 O GLU A 80 -2.972 -17.798 -11.275 1.00 74.04 O ATOM 1237 CB GLU A 80 -4.110 -17.483 -14.299 1.00 53.15 C ATOM 1238 CG GLU A 80 -4.722 -16.464 -15.247 1.00 22.33 C ATOM 1239 CD GLU A 80 -6.033 -16.937 -15.845 1.00 24.12 C ATOM 1240 OE1 GLU A 80 -6.333 -18.144 -15.737 1.00 74.10 O ATOM 1241 OE2 GLU A 80 -6.758 -16.099 -16.421 1.00 3.15 O ATOM 0 H GLU A 80 -1.407 -17.567 -14.852 1.00 21.30 H new ATOM 0 HA GLU A 80 -3.169 -15.997 -13.063 1.00 75.21 H new ATOM 0 HB2 GLU A 80 -3.804 -18.360 -14.870 1.00 53.15 H new ATOM 0 HB3 GLU A 80 -4.872 -17.812 -13.592 1.00 53.15 H new ATOM 0 HG2 GLU A 80 -4.888 -15.529 -14.712 1.00 22.33 H new ATOM 0 HG3 GLU A 80 -4.017 -16.251 -16.050 1.00 22.33 H new ATOM 1248 N GLU A 81 -1.703 -18.915 -12.760 1.00 44.45 N ATOM 1249 CA GLU A 81 -1.265 -19.918 -11.797 1.00 74.00 C ATOM 1250 C GLU A 81 -0.203 -19.348 -10.862 1.00 1.12 C ATOM 1251 O GLU A 81 -0.136 -19.707 -9.686 1.00 32.33 O ATOM 1252 CB GLU A 81 -0.715 -21.148 -12.522 1.00 53.02 C ATOM 1253 CG GLU A 81 -1.795 -22.055 -13.087 1.00 34.43 C ATOM 1254 CD GLU A 81 -2.415 -21.505 -14.356 1.00 50.15 C ATOM 1255 OE1 GLU A 81 -3.615 -21.159 -14.329 1.00 20.42 O ATOM 1256 OE2 GLU A 81 -1.701 -21.420 -15.377 1.00 40.42 O ATOM 0 H GLU A 81 -1.325 -19.039 -13.699 1.00 44.45 H new ATOM 0 HA GLU A 81 -2.129 -20.213 -11.201 1.00 74.00 H new ATOM 0 HB2 GLU A 81 -0.066 -20.821 -13.334 1.00 53.02 H new ATOM 0 HB3 GLU A 81 -0.097 -21.720 -11.831 1.00 53.02 H new ATOM 0 HG2 GLU A 81 -1.369 -23.037 -13.292 1.00 34.43 H new ATOM 0 HG3 GLU A 81 -2.574 -22.196 -12.338 1.00 34.43 H new ATOM 1263 N THR A 82 0.628 -18.456 -11.393 1.00 70.31 N ATOM 1264 CA THR A 82 1.689 -17.837 -10.608 1.00 75.33 C ATOM 1265 C THR A 82 1.194 -16.572 -9.917 1.00 51.21 C ATOM 1266 O THR A 82 1.492 -16.334 -8.746 1.00 73.33 O ATOM 1267 CB THR A 82 2.905 -17.487 -11.485 1.00 64.34 C ATOM 1268 OG1 THR A 82 3.020 -18.426 -12.561 1.00 3.12 O ATOM 1269 CG2 THR A 82 4.185 -17.492 -10.663 1.00 31.04 C ATOM 0 H THR A 82 0.586 -18.146 -12.364 1.00 70.31 H new ATOM 0 HA THR A 82 1.991 -18.565 -9.855 1.00 75.33 H new ATOM 0 HB THR A 82 2.756 -16.486 -11.890 1.00 64.34 H new ATOM 0 HG1 THR A 82 3.795 -18.195 -13.115 1.00 3.12 H new ATOM 0 HG21 THR A 82 5.030 -17.242 -11.304 1.00 31.04 H new ATOM 0 HG22 THR A 82 4.106 -16.756 -9.863 1.00 31.04 H new ATOM 0 HG23 THR A 82 4.337 -18.482 -10.232 1.00 31.04 H new ATOM 1277 N LYS A 83 0.436 -15.762 -10.648 1.00 40.43 N ATOM 1278 CA LYS A 83 -0.103 -14.520 -10.106 1.00 23.14 C ATOM 1279 C LYS A 83 -0.816 -14.770 -8.780 1.00 43.25 C ATOM 1280 O LYS A 83 -0.579 -14.069 -7.797 1.00 24.31 O ATOM 1281 CB LYS A 83 -1.069 -13.880 -11.104 1.00 53.14 C ATOM 1282 CG LYS A 83 -0.457 -12.738 -11.897 1.00 62.22 C ATOM 1283 CD LYS A 83 -0.056 -11.584 -10.994 1.00 15.20 C ATOM 1284 CE LYS A 83 -1.046 -10.433 -11.089 1.00 50.30 C ATOM 1285 NZ LYS A 83 -2.033 -10.456 -9.974 1.00 3.11 N ATOM 0 H LYS A 83 0.181 -15.944 -11.619 1.00 40.43 H new ATOM 0 HA LYS A 83 0.729 -13.839 -9.929 1.00 23.14 H new ATOM 0 HB2 LYS A 83 -1.421 -14.644 -11.797 1.00 53.14 H new ATOM 0 HB3 LYS A 83 -1.942 -13.511 -10.566 1.00 53.14 H new ATOM 0 HG2 LYS A 83 0.418 -13.098 -12.439 1.00 62.22 H new ATOM 0 HG3 LYS A 83 -1.171 -12.387 -12.642 1.00 62.22 H new ATOM 0 HD2 LYS A 83 0.002 -11.931 -9.962 1.00 15.20 H new ATOM 0 HD3 LYS A 83 0.939 -11.234 -11.269 1.00 15.20 H new ATOM 0 HE2 LYS A 83 -0.505 -9.487 -11.075 1.00 50.30 H new ATOM 0 HE3 LYS A 83 -1.573 -10.485 -12.042 1.00 50.30 H new ATOM 0 HZ1 LYS A 83 -2.690 -9.656 -10.075 1.00 3.11 H new ATOM 0 HZ2 LYS A 83 -2.567 -11.348 -10.002 1.00 3.11 H new ATOM 0 HZ3 LYS A 83 -1.532 -10.380 -9.066 1.00 3.11 H new ATOM 1299 N GLN A 84 -1.688 -15.772 -8.763 1.00 30.52 N ATOM 1300 CA GLN A 84 -2.434 -16.114 -7.558 1.00 13.14 C ATOM 1301 C GLN A 84 -1.496 -16.293 -6.369 1.00 1.34 C ATOM 1302 O GLN A 84 -1.758 -15.785 -5.279 1.00 5.14 O ATOM 1303 CB GLN A 84 -3.245 -17.392 -7.779 1.00 60.02 C ATOM 1304 CG GLN A 84 -2.428 -18.540 -8.350 1.00 4.31 C ATOM 1305 CD GLN A 84 -3.274 -19.755 -8.673 1.00 32.12 C ATOM 1306 OE1 GLN A 84 -3.862 -19.848 -9.751 1.00 11.13 O ATOM 1307 NE2 GLN A 84 -3.341 -20.696 -7.738 1.00 3.20 N ATOM 0 H GLN A 84 -1.895 -16.361 -9.569 1.00 30.52 H new ATOM 0 HA GLN A 84 -3.116 -15.293 -7.339 1.00 13.14 H new ATOM 0 HB2 GLN A 84 -3.681 -17.704 -6.830 1.00 60.02 H new ATOM 0 HB3 GLN A 84 -4.073 -17.175 -8.454 1.00 60.02 H new ATOM 0 HG2 GLN A 84 -1.920 -18.205 -9.254 1.00 4.31 H new ATOM 0 HG3 GLN A 84 -1.654 -18.821 -7.636 1.00 4.31 H new ATOM 0 HE21 GLN A 84 -2.838 -20.578 -6.859 1.00 3.20 H new ATOM 0 HE22 GLN A 84 -3.896 -21.537 -7.899 1.00 3.20 H new ATOM 1316 N GLN A 85 -0.403 -17.017 -6.587 1.00 75.50 N ATOM 1317 CA GLN A 85 0.573 -17.264 -5.532 1.00 52.43 C ATOM 1318 C GLN A 85 1.018 -15.956 -4.887 1.00 1.43 C ATOM 1319 O GLN A 85 1.055 -15.838 -3.661 1.00 72.15 O ATOM 1320 CB GLN A 85 1.786 -18.007 -6.094 1.00 75.43 C ATOM 1321 CG GLN A 85 1.423 -19.265 -6.868 1.00 41.55 C ATOM 1322 CD GLN A 85 0.575 -20.225 -6.058 1.00 54.42 C ATOM 1323 OE1 GLN A 85 0.847 -20.472 -4.883 1.00 51.11 O ATOM 1324 NE2 GLN A 85 -0.461 -20.772 -6.683 1.00 54.33 N ATOM 0 H GLN A 85 -0.171 -17.443 -7.484 1.00 75.50 H new ATOM 0 HA GLN A 85 0.099 -17.882 -4.770 1.00 52.43 H new ATOM 0 HB2 GLN A 85 2.342 -17.336 -6.748 1.00 75.43 H new ATOM 0 HB3 GLN A 85 2.451 -18.275 -5.273 1.00 75.43 H new ATOM 0 HG2 GLN A 85 0.885 -18.987 -7.774 1.00 41.55 H new ATOM 0 HG3 GLN A 85 2.337 -19.770 -7.182 1.00 41.55 H new ATOM 0 HE21 GLN A 85 -0.650 -20.539 -7.658 1.00 54.33 H new ATOM 0 HE22 GLN A 85 -1.068 -21.425 -6.188 1.00 54.33 H new ATOM 1333 N ILE A 86 1.356 -14.976 -5.718 1.00 53.14 N ATOM 1334 CA ILE A 86 1.798 -13.676 -5.228 1.00 32.51 C ATOM 1335 C ILE A 86 0.635 -12.887 -4.637 1.00 34.22 C ATOM 1336 O ILE A 86 0.703 -12.416 -3.501 1.00 30.43 O ATOM 1337 CB ILE A 86 2.452 -12.845 -6.347 1.00 55.13 C ATOM 1338 CG1 ILE A 86 3.579 -13.639 -7.011 1.00 33.14 C ATOM 1339 CG2 ILE A 86 2.978 -11.530 -5.792 1.00 24.34 C ATOM 1340 CD1 ILE A 86 3.265 -14.064 -8.428 1.00 22.30 C ATOM 0 H ILE A 86 1.332 -15.058 -6.734 1.00 53.14 H new ATOM 0 HA ILE A 86 2.537 -13.867 -4.450 1.00 32.51 H new ATOM 0 HB ILE A 86 1.698 -12.622 -7.102 1.00 55.13 H new ATOM 0 HG12 ILE A 86 4.486 -13.034 -7.014 1.00 33.14 H new ATOM 0 HG13 ILE A 86 3.789 -14.525 -6.413 1.00 33.14 H new ATOM 0 HG21 ILE A 86 3.437 -10.954 -6.595 1.00 24.34 H new ATOM 0 HG22 ILE A 86 2.154 -10.961 -5.363 1.00 24.34 H new ATOM 0 HG23 ILE A 86 3.720 -11.732 -5.020 1.00 24.34 H new ATOM 0 HD11 ILE A 86 4.108 -14.622 -8.836 1.00 22.30 H new ATOM 0 HD12 ILE A 86 2.377 -14.696 -8.430 1.00 22.30 H new ATOM 0 HD13 ILE A 86 3.084 -13.181 -9.041 1.00 22.30 H new ATOM 1352 N LEU A 87 -0.434 -12.748 -5.414 1.00 3.40 N ATOM 1353 CA LEU A 87 -1.615 -12.017 -4.967 1.00 44.32 C ATOM 1354 C LEU A 87 -2.083 -12.520 -3.606 1.00 14.44 C ATOM 1355 O LEU A 87 -2.696 -11.780 -2.835 1.00 3.52 O ATOM 1356 CB LEU A 87 -2.742 -12.156 -5.991 1.00 75.01 C ATOM 1357 CG LEU A 87 -4.041 -11.417 -5.664 1.00 45.25 C ATOM 1358 CD1 LEU A 87 -3.854 -9.916 -5.823 1.00 13.24 C ATOM 1359 CD2 LEU A 87 -5.174 -11.912 -6.551 1.00 42.22 C ATOM 0 H LEU A 87 -0.507 -13.132 -6.356 1.00 3.40 H new ATOM 0 HA LEU A 87 -1.347 -10.965 -4.872 1.00 44.32 H new ATOM 0 HB2 LEU A 87 -2.377 -11.799 -6.954 1.00 75.01 H new ATOM 0 HB3 LEU A 87 -2.970 -13.215 -6.109 1.00 75.01 H new ATOM 0 HG LEU A 87 -4.303 -11.623 -4.626 1.00 45.25 H new ATOM 0 HD11 LEU A 87 -4.788 -9.406 -5.586 1.00 13.24 H new ATOM 0 HD12 LEU A 87 -3.072 -9.573 -5.146 1.00 13.24 H new ATOM 0 HD13 LEU A 87 -3.568 -9.692 -6.851 1.00 13.24 H new ATOM 0 HD21 LEU A 87 -6.090 -11.375 -6.304 1.00 42.22 H new ATOM 0 HD22 LEU A 87 -4.921 -11.736 -7.597 1.00 42.22 H new ATOM 0 HD23 LEU A 87 -5.324 -12.979 -6.388 1.00 42.22 H new ATOM 1371 N THR A 88 -1.790 -13.783 -3.314 1.00 31.11 N ATOM 1372 CA THR A 88 -2.180 -14.385 -2.045 1.00 73.03 C ATOM 1373 C THR A 88 -1.805 -13.487 -0.872 1.00 64.11 C ATOM 1374 O THR A 88 -2.517 -13.430 0.130 1.00 41.45 O ATOM 1375 CB THR A 88 -1.523 -15.765 -1.852 1.00 41.43 C ATOM 1376 OG1 THR A 88 -1.985 -16.673 -2.858 1.00 52.33 O ATOM 1377 CG2 THR A 88 -1.836 -16.325 -0.473 1.00 72.23 C ATOM 0 H THR A 88 -1.283 -14.409 -3.940 1.00 31.11 H new ATOM 0 HA THR A 88 -3.263 -14.508 -2.073 1.00 73.03 H new ATOM 0 HB THR A 88 -0.443 -15.644 -1.941 1.00 41.43 H new ATOM 0 HG1 THR A 88 -1.631 -16.402 -3.731 1.00 52.33 H new ATOM 0 HG21 THR A 88 -1.362 -17.300 -0.360 1.00 72.23 H new ATOM 0 HG22 THR A 88 -1.456 -15.646 0.290 1.00 72.23 H new ATOM 0 HG23 THR A 88 -2.915 -16.431 -0.360 1.00 72.23 H new ATOM 1385 N GLU A 89 -0.682 -12.788 -1.004 1.00 1.40 N ATOM 1386 CA GLU A 89 -0.213 -11.892 0.047 1.00 64.21 C ATOM 1387 C GLU A 89 -0.558 -10.442 -0.280 1.00 23.04 C ATOM 1388 O GLU A 89 -0.846 -9.644 0.614 1.00 62.15 O ATOM 1389 CB GLU A 89 1.299 -12.038 0.235 1.00 72.41 C ATOM 1390 CG GLU A 89 2.088 -11.916 -1.058 1.00 13.11 C ATOM 1391 CD GLU A 89 3.569 -11.696 -0.819 1.00 12.31 C ATOM 1392 OE1 GLU A 89 3.915 -10.764 -0.063 1.00 10.03 O ATOM 1393 OE2 GLU A 89 4.381 -12.454 -1.388 1.00 23.23 O ATOM 0 H GLU A 89 -0.081 -12.825 -1.827 1.00 1.40 H new ATOM 0 HA GLU A 89 -0.716 -12.167 0.974 1.00 64.21 H new ATOM 0 HB2 GLU A 89 1.645 -11.277 0.935 1.00 72.41 H new ATOM 0 HB3 GLU A 89 1.508 -13.007 0.688 1.00 72.41 H new ATOM 0 HG2 GLU A 89 1.950 -12.821 -1.650 1.00 13.11 H new ATOM 0 HG3 GLU A 89 1.691 -11.087 -1.644 1.00 13.11 H new ATOM 1400 N LEU A 90 -0.526 -10.108 -1.565 1.00 2.31 N ATOM 1401 CA LEU A 90 -0.834 -8.753 -2.011 1.00 75.50 C ATOM 1402 C LEU A 90 -2.170 -8.284 -1.442 1.00 43.15 C ATOM 1403 O LEU A 90 -2.275 -7.177 -0.914 1.00 62.33 O ATOM 1404 CB LEU A 90 -0.869 -8.694 -3.539 1.00 63.22 C ATOM 1405 CG LEU A 90 0.400 -9.155 -4.257 1.00 61.04 C ATOM 1406 CD1 LEU A 90 0.257 -8.977 -5.761 1.00 31.31 C ATOM 1407 CD2 LEU A 90 1.612 -8.393 -3.741 1.00 52.44 C ATOM 0 H LEU A 90 -0.290 -10.756 -2.317 1.00 2.31 H new ATOM 0 HA LEU A 90 -0.051 -8.089 -1.646 1.00 75.50 H new ATOM 0 HB2 LEU A 90 -1.702 -9.305 -3.887 1.00 63.22 H new ATOM 0 HB3 LEU A 90 -1.079 -7.667 -3.838 1.00 63.22 H new ATOM 0 HG LEU A 90 0.547 -10.215 -4.049 1.00 61.04 H new ATOM 0 HD11 LEU A 90 1.170 -9.310 -6.255 1.00 31.31 H new ATOM 0 HD12 LEU A 90 -0.586 -9.568 -6.119 1.00 31.31 H new ATOM 0 HD13 LEU A 90 0.085 -7.925 -5.988 1.00 31.31 H new ATOM 0 HD21 LEU A 90 2.506 -8.734 -4.263 1.00 52.44 H new ATOM 0 HD22 LEU A 90 1.473 -7.326 -3.918 1.00 52.44 H new ATOM 0 HD23 LEU A 90 1.726 -8.572 -2.672 1.00 52.44 H new ATOM 1419 N GLN A 91 -3.186 -9.134 -1.553 1.00 3.41 N ATOM 1420 CA GLN A 91 -4.514 -8.805 -1.048 1.00 63.41 C ATOM 1421 C GLN A 91 -4.973 -9.831 -0.017 1.00 71.34 C ATOM 1422 O GLN A 91 -6.162 -10.134 0.086 1.00 60.54 O ATOM 1423 CB GLN A 91 -5.518 -8.737 -2.200 1.00 62.41 C ATOM 1424 CG GLN A 91 -5.595 -10.017 -3.017 1.00 23.45 C ATOM 1425 CD GLN A 91 -6.726 -10.925 -2.575 1.00 10.55 C ATOM 1426 OE1 GLN A 91 -7.901 -10.611 -2.770 1.00 22.15 O ATOM 1427 NE2 GLN A 91 -6.377 -12.057 -1.975 1.00 75.13 N ATOM 0 H GLN A 91 -3.115 -10.054 -1.987 1.00 3.41 H new ATOM 0 HA GLN A 91 -4.461 -7.830 -0.564 1.00 63.41 H new ATOM 0 HB2 GLN A 91 -6.506 -8.513 -1.797 1.00 62.41 H new ATOM 0 HB3 GLN A 91 -5.248 -7.911 -2.858 1.00 62.41 H new ATOM 0 HG2 GLN A 91 -5.727 -9.764 -4.069 1.00 23.45 H new ATOM 0 HG3 GLN A 91 -4.650 -10.554 -2.934 1.00 23.45 H new ATOM 0 HE21 GLN A 91 -5.391 -12.277 -1.834 1.00 75.13 H new ATOM 0 HE22 GLN A 91 -7.095 -12.707 -1.655 1.00 75.13 H new ATOM 1436 N LYS A 92 -4.023 -10.364 0.744 1.00 14.42 N ATOM 1437 CA LYS A 92 -4.329 -11.355 1.768 1.00 34.34 C ATOM 1438 C LYS A 92 -5.481 -10.887 2.652 1.00 73.30 C ATOM 1439 O LYS A 92 -6.576 -11.449 2.610 1.00 32.04 O ATOM 1440 CB LYS A 92 -3.093 -11.630 2.627 1.00 2.12 C ATOM 1441 CG LYS A 92 -3.387 -12.447 3.874 1.00 51.54 C ATOM 1442 CD LYS A 92 -2.117 -13.029 4.471 1.00 33.12 C ATOM 1443 CE LYS A 92 -1.759 -14.361 3.829 1.00 12.25 C ATOM 1444 NZ LYS A 92 -0.299 -14.640 3.909 1.00 44.21 N ATOM 0 H LYS A 92 -3.034 -10.126 0.670 1.00 14.42 H new ATOM 0 HA LYS A 92 -4.629 -12.276 1.268 1.00 34.34 H new ATOM 0 HB2 LYS A 92 -2.352 -12.156 2.025 1.00 2.12 H new ATOM 0 HB3 LYS A 92 -2.648 -10.680 2.922 1.00 2.12 H new ATOM 0 HG2 LYS A 92 -3.883 -11.818 4.614 1.00 51.54 H new ATOM 0 HG3 LYS A 92 -4.077 -13.254 3.627 1.00 51.54 H new ATOM 0 HD2 LYS A 92 -1.295 -12.326 4.336 1.00 33.12 H new ATOM 0 HD3 LYS A 92 -2.247 -13.165 5.545 1.00 33.12 H new ATOM 0 HE2 LYS A 92 -2.309 -15.162 4.323 1.00 12.25 H new ATOM 0 HE3 LYS A 92 -2.071 -14.356 2.785 1.00 12.25 H new ATOM 0 HZ1 LYS A 92 -0.096 -15.556 3.461 1.00 44.21 H new ATOM 0 HZ2 LYS A 92 0.225 -13.889 3.416 1.00 44.21 H new ATOM 0 HZ3 LYS A 92 -0.005 -14.670 4.906 1.00 44.21 H new