USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ -118:sc= -0.152 (180deg=-5.01!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.986 USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 155:sc= -0.036 (180deg=-0.332) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.2) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot -62:sc= 0.926 USER MOD Single : A 17 SER OG : rot -70:sc= 0.702 USER MOD Single : A 19 THR OG1 : rot 174:sc= 0.868 USER MOD Single : A 22 ASN : amide:sc= -0.0289 X(o=-0.029,f=-0.071) USER MOD Single : A 23 THR OG1 : rot 156:sc= 1.2 USER MOD Single : A 28 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.303) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.64) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 84:sc= 0.635 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 62 MET CE :methyl -152:sc= 0 (180deg=-0.494) USER MOD Single : A 67 THR OG1 : rot 52:sc= 0.27 USER MOD Single : A 69 HIS : no HE2:sc= -1.71 K(o=-1.7,f=-3.1) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.175 0.006 0.125 1.00 40.32 N ATOM 2 CA MET A 1 1.954 -0.021 -1.108 1.00 34.30 C ATOM 3 C MET A 1 1.302 -0.934 -2.142 1.00 62.01 C ATOM 4 O MET A 1 0.803 -0.470 -3.168 1.00 42.21 O ATOM 5 CB MET A 1 3.382 -0.491 -0.824 1.00 12.40 C ATOM 6 CG MET A 1 4.380 -0.081 -1.894 1.00 43.14 C ATOM 7 SD MET A 1 6.068 -0.574 -1.495 1.00 41.40 S ATOM 8 CE MET A 1 6.790 1.008 -1.064 1.00 15.11 C ATOM 0 H1 MET A 1 0.837 0.974 0.301 1.00 40.32 H new ATOM 0 H2 MET A 1 0.361 -0.635 0.035 1.00 40.32 H new ATOM 0 H3 MET A 1 1.772 -0.302 0.919 1.00 40.32 H new ATOM 0 HA MET A 1 1.986 0.991 -1.511 1.00 34.30 H new ATOM 0 HB2 MET A 1 3.704 -0.088 0.136 1.00 12.40 H new ATOM 0 HB3 MET A 1 3.387 -1.577 -0.731 1.00 12.40 H new ATOM 0 HG2 MET A 1 4.091 -0.527 -2.845 1.00 43.14 H new ATOM 0 HG3 MET A 1 4.343 1.000 -2.025 1.00 43.14 H new ATOM 0 HE1 MET A 1 7.836 0.869 -0.793 1.00 15.11 H new ATOM 0 HE2 MET A 1 6.723 1.683 -1.917 1.00 15.11 H new ATOM 0 HE3 MET A 1 6.250 1.436 -0.220 1.00 15.11 H new ATOM 18 N LEU A 2 1.310 -2.233 -1.866 1.00 64.53 N ATOM 19 CA LEU A 2 0.720 -3.212 -2.773 1.00 43.13 C ATOM 20 C LEU A 2 -0.591 -3.753 -2.212 1.00 51.44 C ATOM 21 O LEU A 2 -0.642 -4.238 -1.082 1.00 21.15 O ATOM 22 CB LEU A 2 1.697 -4.363 -3.018 1.00 72.53 C ATOM 23 CG LEU A 2 1.108 -5.615 -3.670 1.00 23.54 C ATOM 24 CD1 LEU A 2 2.138 -6.285 -4.566 1.00 41.14 C ATOM 25 CD2 LEU A 2 0.612 -6.586 -2.608 1.00 11.12 C ATOM 0 H LEU A 2 1.718 -2.633 -1.021 1.00 64.53 H new ATOM 0 HA LEU A 2 0.510 -2.714 -3.720 1.00 43.13 H new ATOM 0 HB2 LEU A 2 2.508 -3.997 -3.647 1.00 72.53 H new ATOM 0 HB3 LEU A 2 2.138 -4.648 -2.063 1.00 72.53 H new ATOM 0 HG LEU A 2 0.260 -5.316 -4.286 1.00 23.54 H new ATOM 0 HD11 LEU A 2 1.701 -7.174 -5.021 1.00 41.14 H new ATOM 0 HD12 LEU A 2 2.446 -5.591 -5.348 1.00 41.14 H new ATOM 0 HD13 LEU A 2 3.006 -6.571 -3.972 1.00 41.14 H new ATOM 0 HD21 LEU A 2 0.196 -7.471 -3.090 1.00 11.12 H new ATOM 0 HD22 LEU A 2 1.443 -6.879 -1.966 1.00 11.12 H new ATOM 0 HD23 LEU A 2 -0.159 -6.105 -2.006 1.00 11.12 H new ATOM 37 N LEU A 3 -1.650 -3.668 -3.011 1.00 5.43 N ATOM 38 CA LEU A 3 -2.962 -4.151 -2.595 1.00 41.43 C ATOM 39 C LEU A 3 -3.666 -4.869 -3.742 1.00 40.42 C ATOM 40 O LEU A 3 -3.478 -4.529 -4.911 1.00 0.14 O ATOM 41 CB LEU A 3 -3.823 -2.987 -2.102 1.00 40.50 C ATOM 42 CG LEU A 3 -4.459 -2.116 -3.186 1.00 51.21 C ATOM 43 CD1 LEU A 3 -5.469 -1.156 -2.576 1.00 5.13 C ATOM 44 CD2 LEU A 3 -3.389 -1.351 -3.952 1.00 73.53 C ATOM 0 H LEU A 3 -1.625 -3.269 -3.950 1.00 5.43 H new ATOM 0 HA LEU A 3 -2.819 -4.860 -1.779 1.00 41.43 H new ATOM 0 HB2 LEU A 3 -4.618 -3.390 -1.475 1.00 40.50 H new ATOM 0 HB3 LEU A 3 -3.208 -2.350 -1.467 1.00 40.50 H new ATOM 0 HG LEU A 3 -4.984 -2.767 -3.886 1.00 51.21 H new ATOM 0 HD11 LEU A 3 -5.911 -0.545 -3.363 1.00 5.13 H new ATOM 0 HD12 LEU A 3 -6.253 -1.723 -2.074 1.00 5.13 H new ATOM 0 HD13 LEU A 3 -4.968 -0.511 -1.854 1.00 5.13 H new ATOM 0 HD21 LEU A 3 -3.860 -0.737 -4.719 1.00 73.53 H new ATOM 0 HD22 LEU A 3 -2.836 -0.712 -3.264 1.00 73.53 H new ATOM 0 HD23 LEU A 3 -2.704 -2.056 -4.422 1.00 73.53 H new ATOM 56 N LYS A 4 -4.479 -5.862 -3.401 1.00 34.12 N ATOM 57 CA LYS A 4 -5.216 -6.627 -4.400 1.00 45.24 C ATOM 58 C LYS A 4 -6.710 -6.330 -4.321 1.00 44.11 C ATOM 59 O LYS A 4 -7.372 -6.685 -3.346 1.00 75.45 O ATOM 60 CB LYS A 4 -4.972 -8.125 -4.208 1.00 23.34 C ATOM 61 CG LYS A 4 -5.882 -9.003 -5.049 1.00 14.04 C ATOM 62 CD LYS A 4 -5.618 -10.479 -4.802 1.00 12.24 C ATOM 63 CE LYS A 4 -4.566 -11.024 -5.756 1.00 35.05 C ATOM 64 NZ LYS A 4 -3.924 -12.259 -5.226 1.00 53.11 N ATOM 0 H LYS A 4 -4.645 -6.157 -2.439 1.00 34.12 H new ATOM 0 HA LYS A 4 -4.857 -6.330 -5.385 1.00 45.24 H new ATOM 0 HB2 LYS A 4 -3.934 -8.350 -4.455 1.00 23.34 H new ATOM 0 HB3 LYS A 4 -5.111 -8.375 -3.156 1.00 23.34 H new ATOM 0 HG2 LYS A 4 -6.923 -8.775 -4.819 1.00 14.04 H new ATOM 0 HG3 LYS A 4 -5.732 -8.778 -6.105 1.00 14.04 H new ATOM 0 HD2 LYS A 4 -5.288 -10.624 -3.773 1.00 12.24 H new ATOM 0 HD3 LYS A 4 -6.545 -11.040 -4.921 1.00 12.24 H new ATOM 0 HE2 LYS A 4 -5.027 -11.239 -6.720 1.00 35.05 H new ATOM 0 HE3 LYS A 4 -3.804 -10.264 -5.929 1.00 35.05 H new ATOM 0 HZ1 LYS A 4 -3.213 -12.599 -5.905 1.00 53.11 H new ATOM 0 HZ2 LYS A 4 -3.463 -12.048 -4.318 1.00 53.11 H new ATOM 0 HZ3 LYS A 4 -4.647 -12.993 -5.085 1.00 53.11 H new ATOM 78 N VAL A 5 -7.234 -5.677 -5.353 1.00 74.24 N ATOM 79 CA VAL A 5 -8.651 -5.335 -5.401 1.00 62.04 C ATOM 80 C VAL A 5 -9.411 -6.272 -6.333 1.00 34.34 C ATOM 81 O VAL A 5 -9.040 -6.449 -7.493 1.00 23.40 O ATOM 82 CB VAL A 5 -8.862 -3.883 -5.869 1.00 2.55 C ATOM 83 CG1 VAL A 5 -8.260 -2.907 -4.868 1.00 74.13 C ATOM 84 CG2 VAL A 5 -8.264 -3.676 -7.252 1.00 73.22 C ATOM 0 H VAL A 5 -6.699 -5.374 -6.167 1.00 74.24 H new ATOM 0 HA VAL A 5 -9.037 -5.443 -4.387 1.00 62.04 H new ATOM 0 HB VAL A 5 -9.933 -3.691 -5.929 1.00 2.55 H new ATOM 0 HG11 VAL A 5 -8.418 -1.886 -5.215 1.00 74.13 H new ATOM 0 HG12 VAL A 5 -8.739 -3.039 -3.898 1.00 74.13 H new ATOM 0 HG13 VAL A 5 -7.191 -3.096 -4.773 1.00 74.13 H new ATOM 0 HG21 VAL A 5 -8.423 -2.644 -7.566 1.00 73.22 H new ATOM 0 HG22 VAL A 5 -7.195 -3.886 -7.221 1.00 73.22 H new ATOM 0 HG23 VAL A 5 -8.745 -4.349 -7.961 1.00 73.22 H new ATOM 94 N LYS A 6 -10.480 -6.871 -5.817 1.00 24.20 N ATOM 95 CA LYS A 6 -11.296 -7.790 -6.602 1.00 4.03 C ATOM 96 C LYS A 6 -12.766 -7.387 -6.555 1.00 31.52 C ATOM 97 O LYS A 6 -13.359 -7.286 -5.480 1.00 74.43 O ATOM 98 CB LYS A 6 -11.131 -9.221 -6.084 1.00 3.42 C ATOM 99 CG LYS A 6 -11.366 -9.358 -4.590 1.00 15.54 C ATOM 100 CD LYS A 6 -10.248 -10.136 -3.918 1.00 4.55 C ATOM 101 CE LYS A 6 -10.786 -11.077 -2.851 1.00 60.12 C ATOM 102 NZ LYS A 6 -11.610 -12.169 -3.440 1.00 14.51 N ATOM 0 H LYS A 6 -10.801 -6.736 -4.858 1.00 24.20 H new ATOM 0 HA LYS A 6 -10.958 -7.744 -7.637 1.00 4.03 H new ATOM 0 HB2 LYS A 6 -11.826 -9.873 -6.614 1.00 3.42 H new ATOM 0 HB3 LYS A 6 -10.125 -9.570 -6.319 1.00 3.42 H new ATOM 0 HG2 LYS A 6 -11.442 -8.368 -4.141 1.00 15.54 H new ATOM 0 HG3 LYS A 6 -12.317 -9.862 -4.415 1.00 15.54 H new ATOM 0 HD2 LYS A 6 -9.701 -10.709 -4.667 1.00 4.55 H new ATOM 0 HD3 LYS A 6 -9.539 -9.441 -3.468 1.00 4.55 H new ATOM 0 HE2 LYS A 6 -9.954 -11.509 -2.295 1.00 60.12 H new ATOM 0 HE3 LYS A 6 -11.387 -10.512 -2.138 1.00 60.12 H new ATOM 0 HZ1 LYS A 6 -11.605 -12.990 -2.802 1.00 14.51 H new ATOM 0 HZ2 LYS A 6 -12.587 -11.836 -3.568 1.00 14.51 H new ATOM 0 HZ3 LYS A 6 -11.214 -12.444 -4.362 1.00 14.51 H new ATOM 116 N THR A 7 -13.351 -7.160 -7.727 1.00 44.10 N ATOM 117 CA THR A 7 -14.752 -6.769 -7.819 1.00 45.05 C ATOM 118 C THR A 7 -15.663 -7.991 -7.838 1.00 11.40 C ATOM 119 O THR A 7 -15.200 -9.121 -7.989 1.00 21.23 O ATOM 120 CB THR A 7 -15.017 -5.925 -9.080 1.00 73.14 C ATOM 121 OG1 THR A 7 -13.784 -5.645 -9.752 1.00 23.53 O ATOM 122 CG2 THR A 7 -15.712 -4.620 -8.722 1.00 34.43 C ATOM 0 H THR A 7 -12.876 -7.240 -8.626 1.00 44.10 H new ATOM 0 HA THR A 7 -14.972 -6.169 -6.936 1.00 45.05 H new ATOM 0 HB THR A 7 -15.669 -6.496 -9.741 1.00 73.14 H new ATOM 0 HG1 THR A 7 -13.962 -5.110 -10.553 1.00 23.53 H new ATOM 0 HG21 THR A 7 -15.889 -4.041 -9.629 1.00 34.43 H new ATOM 0 HG22 THR A 7 -16.665 -4.836 -8.238 1.00 34.43 H new ATOM 0 HG23 THR A 7 -15.082 -4.047 -8.042 1.00 34.43 H new ATOM 130 N VAL A 8 -16.963 -7.756 -7.684 1.00 65.15 N ATOM 131 CA VAL A 8 -17.940 -8.838 -7.685 1.00 50.15 C ATOM 132 C VAL A 8 -18.022 -9.503 -9.055 1.00 15.31 C ATOM 133 O VAL A 8 -18.623 -10.567 -9.205 1.00 11.23 O ATOM 134 CB VAL A 8 -19.339 -8.331 -7.288 1.00 50.42 C ATOM 135 CG1 VAL A 8 -19.880 -7.376 -8.342 1.00 33.42 C ATOM 136 CG2 VAL A 8 -20.289 -9.500 -7.077 1.00 52.24 C ATOM 0 H VAL A 8 -17.363 -6.826 -7.557 1.00 65.15 H new ATOM 0 HA VAL A 8 -17.604 -9.569 -6.949 1.00 50.15 H new ATOM 0 HB VAL A 8 -19.256 -7.786 -6.348 1.00 50.42 H new ATOM 0 HG11 VAL A 8 -20.869 -7.028 -8.044 1.00 33.42 H new ATOM 0 HG12 VAL A 8 -19.209 -6.522 -8.438 1.00 33.42 H new ATOM 0 HG13 VAL A 8 -19.950 -7.892 -9.299 1.00 33.42 H new ATOM 0 HG21 VAL A 8 -21.273 -9.123 -6.797 1.00 52.24 H new ATOM 0 HG22 VAL A 8 -20.370 -10.075 -8.000 1.00 52.24 H new ATOM 0 HG23 VAL A 8 -19.906 -10.141 -6.283 1.00 52.24 H new ATOM 146 N SER A 9 -17.414 -8.868 -10.052 1.00 75.43 N ATOM 147 CA SER A 9 -17.422 -9.397 -11.411 1.00 43.44 C ATOM 148 C SER A 9 -16.248 -10.346 -11.631 1.00 60.24 C ATOM 149 O SER A 9 -15.938 -10.715 -12.763 1.00 43.02 O ATOM 150 CB SER A 9 -17.364 -8.253 -12.426 1.00 11.10 C ATOM 151 OG SER A 9 -18.659 -7.928 -12.902 1.00 43.01 O ATOM 0 H SER A 9 -16.910 -7.988 -9.944 1.00 75.43 H new ATOM 0 HA SER A 9 -18.349 -9.953 -11.553 1.00 43.44 H new ATOM 0 HB2 SER A 9 -16.912 -7.375 -11.964 1.00 11.10 H new ATOM 0 HB3 SER A 9 -16.726 -8.537 -13.263 1.00 11.10 H new ATOM 0 HG SER A 9 -18.595 -7.193 -13.548 1.00 43.01 H new ATOM 157 N ASN A 10 -15.599 -10.738 -10.539 1.00 52.15 N ATOM 158 CA ASN A 10 -14.459 -11.644 -10.612 1.00 21.23 C ATOM 159 C ASN A 10 -13.266 -10.966 -11.279 1.00 13.32 C ATOM 160 O ASN A 10 -12.494 -11.605 -11.994 1.00 10.41 O ATOM 161 CB ASN A 10 -14.836 -12.911 -11.382 1.00 61.13 C ATOM 162 CG ASN A 10 -14.413 -14.175 -10.659 1.00 64.11 C ATOM 163 OD1 ASN A 10 -14.434 -14.237 -9.430 1.00 32.02 O ATOM 164 ND2 ASN A 10 -14.024 -15.191 -11.421 1.00 54.24 N ATOM 0 H ASN A 10 -15.843 -10.442 -9.594 1.00 52.15 H new ATOM 0 HA ASN A 10 -14.177 -11.915 -9.595 1.00 21.23 H new ATOM 0 HB2 ASN A 10 -15.914 -12.930 -11.540 1.00 61.13 H new ATOM 0 HB3 ASN A 10 -14.370 -12.886 -12.367 1.00 61.13 H new ATOM 0 HD21 ASN A 10 -13.727 -16.067 -10.991 1.00 54.24 H new ATOM 0 HD22 ASN A 10 -14.022 -15.095 -12.437 1.00 54.24 H new ATOM 171 N LYS A 11 -13.122 -9.667 -11.040 1.00 4.24 N ATOM 172 CA LYS A 11 -12.023 -8.900 -11.615 1.00 23.15 C ATOM 173 C LYS A 11 -10.984 -8.557 -10.551 1.00 52.44 C ATOM 174 O LYS A 11 -11.061 -7.508 -9.910 1.00 63.43 O ATOM 175 CB LYS A 11 -12.551 -7.617 -12.260 1.00 34.04 C ATOM 176 CG LYS A 11 -13.315 -7.855 -13.551 1.00 33.44 C ATOM 177 CD LYS A 11 -13.596 -6.553 -14.281 1.00 42.11 C ATOM 178 CE LYS A 11 -14.645 -6.738 -15.367 1.00 1.42 C ATOM 179 NZ LYS A 11 -14.037 -7.155 -16.660 1.00 62.44 N ATOM 0 H LYS A 11 -13.753 -9.123 -10.452 1.00 4.24 H new ATOM 0 HA LYS A 11 -11.546 -9.513 -12.380 1.00 23.15 H new ATOM 0 HB2 LYS A 11 -13.202 -7.105 -11.551 1.00 34.04 H new ATOM 0 HB3 LYS A 11 -11.713 -6.950 -12.461 1.00 34.04 H new ATOM 0 HG2 LYS A 11 -12.741 -8.519 -14.197 1.00 33.44 H new ATOM 0 HG3 LYS A 11 -14.256 -8.360 -13.330 1.00 33.44 H new ATOM 0 HD2 LYS A 11 -13.937 -5.802 -13.569 1.00 42.11 H new ATOM 0 HD3 LYS A 11 -12.674 -6.177 -14.724 1.00 42.11 H new ATOM 0 HE2 LYS A 11 -15.370 -7.487 -15.048 1.00 1.42 H new ATOM 0 HE3 LYS A 11 -15.191 -5.805 -15.507 1.00 1.42 H new ATOM 0 HZ1 LYS A 11 -14.784 -7.270 -17.374 1.00 62.44 H new ATOM 0 HZ2 LYS A 11 -13.364 -6.428 -16.978 1.00 62.44 H new ATOM 0 HZ3 LYS A 11 -13.537 -8.058 -16.533 1.00 62.44 H new ATOM 193 N VAL A 12 -10.013 -9.446 -10.370 1.00 42.23 N ATOM 194 CA VAL A 12 -8.957 -9.235 -9.387 1.00 33.23 C ATOM 195 C VAL A 12 -7.739 -8.573 -10.021 1.00 33.11 C ATOM 196 O VAL A 12 -7.275 -8.991 -11.082 1.00 20.41 O ATOM 197 CB VAL A 12 -8.525 -10.562 -8.734 1.00 53.13 C ATOM 198 CG1 VAL A 12 -7.540 -10.305 -7.604 1.00 63.44 C ATOM 199 CG2 VAL A 12 -9.739 -11.327 -8.230 1.00 74.43 C ATOM 0 H VAL A 12 -9.936 -10.319 -10.891 1.00 42.23 H new ATOM 0 HA VAL A 12 -9.366 -8.577 -8.620 1.00 33.23 H new ATOM 0 HB VAL A 12 -8.026 -11.172 -9.487 1.00 53.13 H new ATOM 0 HG11 VAL A 12 -7.246 -11.254 -7.155 1.00 63.44 H new ATOM 0 HG12 VAL A 12 -6.657 -9.801 -7.998 1.00 63.44 H new ATOM 0 HG13 VAL A 12 -8.010 -9.676 -6.848 1.00 63.44 H new ATOM 0 HG21 VAL A 12 -9.416 -12.262 -7.772 1.00 74.43 H new ATOM 0 HG22 VAL A 12 -10.268 -10.725 -7.491 1.00 74.43 H new ATOM 0 HG23 VAL A 12 -10.405 -11.544 -9.065 1.00 74.43 H new ATOM 209 N ILE A 13 -7.226 -7.538 -9.364 1.00 71.41 N ATOM 210 CA ILE A 13 -6.061 -6.819 -9.863 1.00 65.31 C ATOM 211 C ILE A 13 -5.058 -6.554 -8.745 1.00 51.01 C ATOM 212 O ILE A 13 -5.394 -5.947 -7.729 1.00 12.32 O ATOM 213 CB ILE A 13 -6.460 -5.479 -10.508 1.00 64.03 C ATOM 214 CG1 ILE A 13 -7.453 -5.713 -11.649 1.00 2.34 C ATOM 215 CG2 ILE A 13 -5.226 -4.747 -11.015 1.00 1.12 C ATOM 216 CD1 ILE A 13 -6.892 -6.551 -12.776 1.00 51.10 C ATOM 0 H ILE A 13 -7.599 -7.179 -8.485 1.00 71.41 H new ATOM 0 HA ILE A 13 -5.599 -7.453 -10.619 1.00 65.31 H new ATOM 0 HB ILE A 13 -6.942 -4.858 -9.753 1.00 64.03 H new ATOM 0 HG12 ILE A 13 -8.342 -6.202 -11.251 1.00 2.34 H new ATOM 0 HG13 ILE A 13 -7.770 -4.749 -12.047 1.00 2.34 H new ATOM 0 HG21 ILE A 13 -5.524 -3.802 -11.468 1.00 1.12 H new ATOM 0 HG22 ILE A 13 -4.550 -4.553 -10.182 1.00 1.12 H new ATOM 0 HG23 ILE A 13 -4.718 -5.362 -11.758 1.00 1.12 H new ATOM 0 HD11 ILE A 13 -7.650 -6.676 -13.549 1.00 51.10 H new ATOM 0 HD12 ILE A 13 -6.020 -6.053 -13.200 1.00 51.10 H new ATOM 0 HD13 ILE A 13 -6.601 -7.529 -12.392 1.00 51.10 H new ATOM 228 N GLN A 14 -3.826 -7.012 -8.942 1.00 1.25 N ATOM 229 CA GLN A 14 -2.774 -6.823 -7.950 1.00 0.43 C ATOM 230 C GLN A 14 -1.752 -5.798 -8.429 1.00 44.44 C ATOM 231 O GLN A 14 -1.067 -6.012 -9.430 1.00 43.42 O ATOM 232 CB GLN A 14 -2.079 -8.153 -7.652 1.00 14.51 C ATOM 233 CG GLN A 14 -1.487 -8.819 -8.883 1.00 41.42 C ATOM 234 CD GLN A 14 -1.049 -10.246 -8.621 1.00 1.02 C ATOM 235 OE1 GLN A 14 -1.864 -11.169 -8.626 1.00 52.32 O ATOM 236 NE2 GLN A 14 0.245 -10.435 -8.389 1.00 71.44 N ATOM 0 H GLN A 14 -3.532 -7.516 -9.779 1.00 1.25 H new ATOM 0 HA GLN A 14 -3.235 -6.450 -7.036 1.00 0.43 H new ATOM 0 HB2 GLN A 14 -1.286 -7.984 -6.924 1.00 14.51 H new ATOM 0 HB3 GLN A 14 -2.796 -8.833 -7.191 1.00 14.51 H new ATOM 0 HG2 GLN A 14 -2.224 -8.811 -9.686 1.00 41.42 H new ATOM 0 HG3 GLN A 14 -0.632 -8.238 -9.230 1.00 41.42 H new ATOM 0 HE21 GLN A 14 0.885 -9.641 -8.394 1.00 71.44 H new ATOM 0 HE22 GLN A 14 0.598 -11.374 -8.205 1.00 71.44 H new ATOM 245 N ILE A 15 -1.654 -4.685 -7.710 1.00 13.12 N ATOM 246 CA ILE A 15 -0.715 -3.628 -8.062 1.00 42.42 C ATOM 247 C ILE A 15 0.270 -3.366 -6.927 1.00 72.54 C ATOM 248 O ILE A 15 -0.039 -3.595 -5.757 1.00 44.32 O ATOM 249 CB ILE A 15 -1.446 -2.316 -8.404 1.00 41.05 C ATOM 250 CG1 ILE A 15 -2.291 -1.853 -7.216 1.00 52.32 C ATOM 251 CG2 ILE A 15 -2.315 -2.501 -9.640 1.00 3.34 C ATOM 252 CD1 ILE A 15 -3.684 -2.442 -7.200 1.00 13.05 C ATOM 0 H ILE A 15 -2.214 -4.492 -6.880 1.00 13.12 H new ATOM 0 HA ILE A 15 -0.170 -3.971 -8.941 1.00 42.42 H new ATOM 0 HB ILE A 15 -0.703 -1.548 -8.618 1.00 41.05 H new ATOM 0 HG12 ILE A 15 -1.781 -2.122 -6.291 1.00 52.32 H new ATOM 0 HG13 ILE A 15 -2.365 -0.766 -7.235 1.00 52.32 H new ATOM 0 HG21 ILE A 15 -2.825 -1.566 -9.869 1.00 3.34 H new ATOM 0 HG22 ILE A 15 -1.689 -2.790 -10.485 1.00 3.34 H new ATOM 0 HG23 ILE A 15 -3.053 -3.280 -9.452 1.00 3.34 H new ATOM 0 HD11 ILE A 15 -4.226 -2.070 -6.331 1.00 13.05 H new ATOM 0 HD12 ILE A 15 -4.212 -2.152 -8.108 1.00 13.05 H new ATOM 0 HD13 ILE A 15 -3.619 -3.529 -7.150 1.00 13.05 H new ATOM 264 N THR A 16 1.457 -2.884 -7.281 1.00 24.33 N ATOM 265 CA THR A 16 2.488 -2.591 -6.293 1.00 12.12 C ATOM 266 C THR A 16 3.026 -1.175 -6.463 1.00 53.24 C ATOM 267 O THR A 16 4.229 -0.973 -6.630 1.00 74.42 O ATOM 268 CB THR A 16 3.658 -3.588 -6.389 1.00 4.51 C ATOM 269 OG1 THR A 16 4.684 -3.230 -5.456 1.00 31.24 O ATOM 270 CG2 THR A 16 4.233 -3.613 -7.797 1.00 44.41 C ATOM 0 H THR A 16 1.728 -2.688 -8.245 1.00 24.33 H new ATOM 0 HA THR A 16 2.021 -2.684 -5.312 1.00 12.12 H new ATOM 0 HB THR A 16 3.280 -4.582 -6.150 1.00 4.51 H new ATOM 0 HG1 THR A 16 5.036 -2.344 -5.681 1.00 31.24 H new ATOM 0 HG21 THR A 16 5.058 -4.324 -7.841 1.00 44.41 H new ATOM 0 HG22 THR A 16 3.457 -3.913 -8.501 1.00 44.41 H new ATOM 0 HG23 THR A 16 4.596 -2.619 -8.059 1.00 44.41 H new ATOM 278 N SER A 17 2.127 -0.196 -6.420 1.00 23.22 N ATOM 279 CA SER A 17 2.512 1.202 -6.573 1.00 10.03 C ATOM 280 C SER A 17 1.341 2.126 -6.252 1.00 30.23 C ATOM 281 O SER A 17 0.749 2.731 -7.146 1.00 40.15 O ATOM 282 CB SER A 17 3.008 1.464 -7.996 1.00 75.22 C ATOM 283 OG SER A 17 3.090 2.854 -8.260 1.00 71.31 O ATOM 0 H SER A 17 1.128 -0.346 -6.281 1.00 23.22 H new ATOM 0 HA SER A 17 3.319 1.410 -5.871 1.00 10.03 H new ATOM 0 HB2 SER A 17 3.988 1.006 -8.133 1.00 75.22 H new ATOM 0 HB3 SER A 17 2.334 0.994 -8.712 1.00 75.22 H new ATOM 0 HG SER A 17 2.187 3.230 -8.319 1.00 71.31 H new ATOM 289 N LEU A 18 1.012 2.229 -4.969 1.00 11.31 N ATOM 290 CA LEU A 18 -0.089 3.079 -4.528 1.00 4.35 C ATOM 291 C LEU A 18 0.436 4.335 -3.839 1.00 12.20 C ATOM 292 O LEU A 18 1.531 4.337 -3.276 1.00 10.04 O ATOM 293 CB LEU A 18 -1.005 2.308 -3.577 1.00 33.43 C ATOM 294 CG LEU A 18 -2.341 1.845 -4.160 1.00 63.42 C ATOM 295 CD1 LEU A 18 -3.288 3.023 -4.325 1.00 72.43 C ATOM 296 CD2 LEU A 18 -2.125 1.140 -5.492 1.00 13.32 C ATOM 0 H LEU A 18 1.491 1.735 -4.216 1.00 11.31 H new ATOM 0 HA LEU A 18 -0.659 3.379 -5.407 1.00 4.35 H new ATOM 0 HB2 LEU A 18 -0.466 1.432 -3.216 1.00 33.43 H new ATOM 0 HB3 LEU A 18 -1.208 2.937 -2.710 1.00 33.43 H new ATOM 0 HG LEU A 18 -2.793 1.137 -3.466 1.00 63.42 H new ATOM 0 HD11 LEU A 18 -4.233 2.674 -4.741 1.00 72.43 H new ATOM 0 HD12 LEU A 18 -3.467 3.485 -3.354 1.00 72.43 H new ATOM 0 HD13 LEU A 18 -2.843 3.756 -4.999 1.00 72.43 H new ATOM 0 HD21 LEU A 18 -3.086 0.817 -5.893 1.00 13.32 H new ATOM 0 HD22 LEU A 18 -1.651 1.826 -6.194 1.00 13.32 H new ATOM 0 HD23 LEU A 18 -1.483 0.271 -5.344 1.00 13.32 H new ATOM 308 N THR A 19 -0.354 5.404 -3.886 1.00 32.50 N ATOM 309 CA THR A 19 0.029 6.666 -3.266 1.00 62.42 C ATOM 310 C THR A 19 -0.233 6.643 -1.765 1.00 22.23 C ATOM 311 O THR A 19 -0.745 5.660 -1.229 1.00 63.51 O ATOM 312 CB THR A 19 -0.730 7.852 -3.890 1.00 71.54 C ATOM 313 OG1 THR A 19 -1.244 7.482 -5.175 1.00 14.52 O ATOM 314 CG2 THR A 19 0.180 9.063 -4.032 1.00 34.53 C ATOM 0 H THR A 19 -1.263 5.420 -4.348 1.00 32.50 H new ATOM 0 HA THR A 19 1.097 6.794 -3.444 1.00 62.42 H new ATOM 0 HB THR A 19 -1.556 8.114 -3.229 1.00 71.54 H new ATOM 0 HG1 THR A 19 -1.812 8.202 -5.520 1.00 14.52 H new ATOM 0 HG21 THR A 19 -0.378 9.888 -4.475 1.00 34.53 H new ATOM 0 HG22 THR A 19 0.547 9.360 -3.049 1.00 34.53 H new ATOM 0 HG23 THR A 19 1.024 8.810 -4.674 1.00 34.53 H new ATOM 322 N ASP A 20 0.120 7.732 -1.091 1.00 24.32 N ATOM 323 CA ASP A 20 -0.079 7.837 0.350 1.00 5.21 C ATOM 324 C ASP A 20 -0.957 9.037 0.691 1.00 44.21 C ATOM 325 O ASP A 20 -1.114 9.392 1.859 1.00 33.44 O ATOM 326 CB ASP A 20 1.268 7.956 1.065 1.00 24.40 C ATOM 327 CG ASP A 20 2.313 8.658 0.220 1.00 71.43 C ATOM 328 OD1 ASP A 20 2.040 9.784 -0.245 1.00 62.11 O ATOM 329 OD2 ASP A 20 3.403 8.080 0.022 1.00 13.32 O ATOM 0 H ASP A 20 0.545 8.554 -1.519 1.00 24.32 H new ATOM 0 HA ASP A 20 -0.583 6.932 0.689 1.00 5.21 H new ATOM 0 HB2 ASP A 20 1.133 8.502 1.999 1.00 24.40 H new ATOM 0 HB3 ASP A 20 1.626 6.960 1.327 1.00 24.40 H new ATOM 334 N ASP A 21 -1.525 9.659 -0.336 1.00 63.25 N ATOM 335 CA ASP A 21 -2.387 10.819 -0.146 1.00 41.41 C ATOM 336 C ASP A 21 -3.856 10.408 -0.130 1.00 1.13 C ATOM 337 O ASP A 21 -4.609 10.795 0.763 1.00 23.42 O ATOM 338 CB ASP A 21 -2.145 11.848 -1.252 1.00 2.23 C ATOM 339 CG ASP A 21 -1.522 13.127 -0.726 1.00 72.24 C ATOM 340 OD1 ASP A 21 -2.227 13.887 -0.030 1.00 41.04 O ATOM 341 OD2 ASP A 21 -0.330 13.368 -1.012 1.00 73.31 O ATOM 0 H ASP A 21 -1.404 9.379 -1.309 1.00 63.25 H new ATOM 0 HA ASP A 21 -2.143 11.268 0.817 1.00 41.41 H new ATOM 0 HB2 ASP A 21 -1.493 11.415 -2.011 1.00 2.23 H new ATOM 0 HB3 ASP A 21 -3.091 12.082 -1.740 1.00 2.23 H new ATOM 346 N ASN A 22 -4.256 9.623 -1.124 1.00 74.33 N ATOM 347 CA ASN A 22 -5.636 9.160 -1.225 1.00 41.31 C ATOM 348 C ASN A 22 -5.710 7.641 -1.106 1.00 54.21 C ATOM 349 O ASN A 22 -6.581 7.102 -0.422 1.00 53.21 O ATOM 350 CB ASN A 22 -6.251 9.610 -2.552 1.00 2.00 C ATOM 351 CG ASN A 22 -6.684 11.063 -2.525 1.00 51.14 C ATOM 352 OD1 ASN A 22 -7.479 11.470 -1.678 1.00 72.11 O ATOM 353 ND2 ASN A 22 -6.162 11.853 -3.456 1.00 43.22 N ATOM 0 H ASN A 22 -3.645 9.294 -1.871 1.00 74.33 H new ATOM 0 HA ASN A 22 -6.202 9.599 -0.403 1.00 41.31 H new ATOM 0 HB2 ASN A 22 -5.526 9.464 -3.353 1.00 2.00 H new ATOM 0 HB3 ASN A 22 -7.111 8.982 -2.782 1.00 2.00 H new ATOM 0 HD21 ASN A 22 -6.417 12.840 -3.489 1.00 43.22 H new ATOM 0 HD22 ASN A 22 -5.506 11.473 -4.139 1.00 43.22 H new ATOM 360 N THR A 23 -4.790 6.955 -1.777 1.00 33.54 N ATOM 361 CA THR A 23 -4.751 5.498 -1.747 1.00 74.10 C ATOM 362 C THR A 23 -6.041 4.902 -2.301 1.00 3.13 C ATOM 363 O THR A 23 -6.106 4.518 -3.469 1.00 31.53 O ATOM 364 CB THR A 23 -4.528 4.971 -0.317 1.00 34.20 C ATOM 365 OG1 THR A 23 -3.237 5.369 0.156 1.00 10.53 O ATOM 366 CG2 THR A 23 -4.644 3.455 -0.275 1.00 64.51 C ATOM 0 H THR A 23 -4.062 7.385 -2.348 1.00 33.54 H new ATOM 0 HA THR A 23 -3.914 5.191 -2.374 1.00 74.10 H new ATOM 0 HB THR A 23 -5.297 5.396 0.327 1.00 34.20 H new ATOM 0 HG1 THR A 23 -3.240 5.390 1.136 1.00 10.53 H new ATOM 0 HG21 THR A 23 -4.483 3.106 0.745 1.00 64.51 H new ATOM 0 HG22 THR A 23 -5.638 3.157 -0.608 1.00 64.51 H new ATOM 0 HG23 THR A 23 -3.894 3.014 -0.932 1.00 64.51 H new ATOM 374 N ILE A 24 -7.064 4.829 -1.456 1.00 42.31 N ATOM 375 CA ILE A 24 -8.352 4.282 -1.863 1.00 21.33 C ATOM 376 C ILE A 24 -9.102 5.254 -2.767 1.00 22.00 C ATOM 377 O ILE A 24 -9.618 4.870 -3.816 1.00 63.21 O ATOM 378 CB ILE A 24 -9.232 3.949 -0.644 1.00 33.23 C ATOM 379 CG1 ILE A 24 -8.475 3.041 0.327 1.00 22.22 C ATOM 380 CG2 ILE A 24 -10.529 3.291 -1.091 1.00 30.42 C ATOM 381 CD1 ILE A 24 -7.790 3.792 1.447 1.00 23.14 C ATOM 0 H ILE A 24 -7.026 5.142 -0.486 1.00 42.31 H new ATOM 0 HA ILE A 24 -8.145 3.364 -2.414 1.00 21.33 H new ATOM 0 HB ILE A 24 -9.477 4.877 -0.127 1.00 33.23 H new ATOM 0 HG12 ILE A 24 -9.172 2.321 0.756 1.00 22.22 H new ATOM 0 HG13 ILE A 24 -7.729 2.472 -0.227 1.00 22.22 H new ATOM 0 HG21 ILE A 24 -11.140 3.062 -0.218 1.00 30.42 H new ATOM 0 HG22 ILE A 24 -11.074 3.970 -1.747 1.00 30.42 H new ATOM 0 HG23 ILE A 24 -10.303 2.370 -1.628 1.00 30.42 H new ATOM 0 HD11 ILE A 24 -7.273 3.085 2.096 1.00 23.14 H new ATOM 0 HD12 ILE A 24 -7.069 4.493 1.027 1.00 23.14 H new ATOM 0 HD13 ILE A 24 -8.534 4.340 2.026 1.00 23.14 H new ATOM 393 N ALA A 25 -9.156 6.516 -2.353 1.00 75.24 N ATOM 394 CA ALA A 25 -9.840 7.545 -3.128 1.00 23.42 C ATOM 395 C ALA A 25 -9.247 7.662 -4.528 1.00 75.41 C ATOM 396 O ALA A 25 -9.971 7.862 -5.503 1.00 14.23 O ATOM 397 CB ALA A 25 -9.766 8.883 -2.408 1.00 11.00 C ATOM 0 H ALA A 25 -8.735 6.850 -1.486 1.00 75.24 H new ATOM 0 HA ALA A 25 -10.886 7.256 -3.228 1.00 23.42 H new ATOM 0 HB1 ALA A 25 -10.280 9.642 -2.997 1.00 11.00 H new ATOM 0 HB2 ALA A 25 -10.242 8.797 -1.431 1.00 11.00 H new ATOM 0 HB3 ALA A 25 -8.722 9.169 -2.279 1.00 11.00 H new ATOM 403 N GLU A 26 -7.927 7.536 -4.620 1.00 32.32 N ATOM 404 CA GLU A 26 -7.239 7.629 -5.902 1.00 1.21 C ATOM 405 C GLU A 26 -7.570 6.430 -6.786 1.00 4.12 C ATOM 406 O GLU A 26 -7.762 6.569 -7.994 1.00 52.44 O ATOM 407 CB GLU A 26 -5.726 7.718 -5.689 1.00 33.34 C ATOM 408 CG GLU A 26 -4.929 7.732 -6.982 1.00 10.20 C ATOM 409 CD GLU A 26 -4.114 9.000 -7.151 1.00 14.01 C ATOM 410 OE1 GLU A 26 -4.692 10.023 -7.574 1.00 42.44 O ATOM 411 OE2 GLU A 26 -2.900 8.969 -6.860 1.00 55.14 O ATOM 0 H GLU A 26 -7.313 7.369 -3.823 1.00 32.32 H new ATOM 0 HA GLU A 26 -7.582 8.534 -6.404 1.00 1.21 H new ATOM 0 HB2 GLU A 26 -5.500 8.622 -5.123 1.00 33.34 H new ATOM 0 HB3 GLU A 26 -5.403 6.872 -5.082 1.00 33.34 H new ATOM 0 HG2 GLU A 26 -4.262 6.870 -7.003 1.00 10.20 H new ATOM 0 HG3 GLU A 26 -5.611 7.628 -7.826 1.00 10.20 H new ATOM 418 N LEU A 27 -7.633 5.252 -6.175 1.00 13.21 N ATOM 419 CA LEU A 27 -7.940 4.027 -6.905 1.00 52.11 C ATOM 420 C LEU A 27 -9.370 4.054 -7.437 1.00 25.20 C ATOM 421 O LEU A 27 -9.611 3.783 -8.613 1.00 71.44 O ATOM 422 CB LEU A 27 -7.743 2.809 -6.002 1.00 24.51 C ATOM 423 CG LEU A 27 -6.673 1.810 -6.446 1.00 4.53 C ATOM 424 CD1 LEU A 27 -7.131 1.051 -7.681 1.00 21.42 C ATOM 425 CD2 LEU A 27 -5.356 2.525 -6.715 1.00 21.43 C ATOM 0 H LEU A 27 -7.476 5.119 -5.176 1.00 13.21 H new ATOM 0 HA LEU A 27 -7.258 3.958 -7.752 1.00 52.11 H new ATOM 0 HB2 LEU A 27 -7.491 3.160 -5.002 1.00 24.51 H new ATOM 0 HB3 LEU A 27 -8.694 2.282 -5.924 1.00 24.51 H new ATOM 0 HG LEU A 27 -6.517 1.092 -5.641 1.00 4.53 H new ATOM 0 HD11 LEU A 27 -6.357 0.345 -7.982 1.00 21.42 H new ATOM 0 HD12 LEU A 27 -8.049 0.508 -7.455 1.00 21.42 H new ATOM 0 HD13 LEU A 27 -7.316 1.755 -8.493 1.00 21.42 H new ATOM 0 HD21 LEU A 27 -4.606 1.800 -7.030 1.00 21.43 H new ATOM 0 HD22 LEU A 27 -5.498 3.265 -7.502 1.00 21.43 H new ATOM 0 HD23 LEU A 27 -5.020 3.023 -5.805 1.00 21.43 H new ATOM 437 N LYS A 28 -10.314 4.384 -6.563 1.00 53.52 N ATOM 438 CA LYS A 28 -11.720 4.451 -6.944 1.00 71.32 C ATOM 439 C LYS A 28 -11.957 5.564 -7.960 1.00 2.14 C ATOM 440 O LYS A 28 -12.724 5.400 -8.907 1.00 52.51 O ATOM 441 CB LYS A 28 -12.594 4.678 -5.709 1.00 14.21 C ATOM 442 CG LYS A 28 -12.346 6.012 -5.025 1.00 72.43 C ATOM 443 CD LYS A 28 -13.150 6.138 -3.742 1.00 2.50 C ATOM 444 CE LYS A 28 -14.645 6.158 -4.020 1.00 70.22 C ATOM 445 NZ LYS A 28 -15.262 4.816 -3.828 1.00 53.32 N ATOM 0 H LYS A 28 -10.131 4.609 -5.585 1.00 53.52 H new ATOM 0 HA LYS A 28 -11.991 3.501 -7.404 1.00 71.32 H new ATOM 0 HB2 LYS A 28 -13.643 4.618 -6.000 1.00 14.21 H new ATOM 0 HB3 LYS A 28 -12.415 3.874 -4.995 1.00 14.21 H new ATOM 0 HG2 LYS A 28 -11.284 6.116 -4.802 1.00 72.43 H new ATOM 0 HG3 LYS A 28 -12.610 6.824 -5.702 1.00 72.43 H new ATOM 0 HD2 LYS A 28 -12.913 5.305 -3.080 1.00 2.50 H new ATOM 0 HD3 LYS A 28 -12.864 7.051 -3.220 1.00 2.50 H new ATOM 0 HE2 LYS A 28 -15.128 6.878 -3.359 1.00 70.22 H new ATOM 0 HE3 LYS A 28 -14.820 6.496 -5.041 1.00 70.22 H new ATOM 0 HZ1 LYS A 28 -16.001 4.668 -4.544 1.00 53.32 H new ATOM 0 HZ2 LYS A 28 -14.533 4.081 -3.927 1.00 53.32 H new ATOM 0 HZ3 LYS A 28 -15.683 4.760 -2.879 1.00 53.32 H new ATOM 459 N GLY A 29 -11.291 6.697 -7.755 1.00 61.23 N ATOM 460 CA GLY A 29 -11.442 7.820 -8.662 1.00 62.21 C ATOM 461 C GLY A 29 -10.867 7.537 -10.036 1.00 3.23 C ATOM 462 O GLY A 29 -11.378 8.025 -11.044 1.00 31.10 O ATOM 0 H GLY A 29 -10.650 6.857 -6.978 1.00 61.23 H new ATOM 0 HA2 GLY A 29 -12.500 8.066 -8.758 1.00 62.21 H new ATOM 0 HA3 GLY A 29 -10.948 8.694 -8.238 1.00 62.21 H new ATOM 466 N LYS A 30 -9.798 6.748 -10.077 1.00 54.22 N ATOM 467 CA LYS A 30 -9.152 6.401 -11.337 1.00 24.10 C ATOM 468 C LYS A 30 -9.966 5.360 -12.098 1.00 31.52 C ATOM 469 O LYS A 30 -10.048 5.397 -13.326 1.00 53.03 O ATOM 470 CB LYS A 30 -7.739 5.871 -11.080 1.00 32.33 C ATOM 471 CG LYS A 30 -6.726 6.961 -10.778 1.00 42.22 C ATOM 472 CD LYS A 30 -6.206 7.607 -12.052 1.00 21.14 C ATOM 473 CE LYS A 30 -4.893 8.336 -11.811 1.00 63.40 C ATOM 474 NZ LYS A 30 -4.419 9.043 -13.033 1.00 11.23 N ATOM 0 H LYS A 30 -9.361 6.337 -9.252 1.00 54.22 H new ATOM 0 HA LYS A 30 -9.090 7.303 -11.945 1.00 24.10 H new ATOM 0 HB2 LYS A 30 -7.769 5.172 -10.244 1.00 32.33 H new ATOM 0 HB3 LYS A 30 -7.406 5.309 -11.953 1.00 32.33 H new ATOM 0 HG2 LYS A 30 -7.185 7.720 -10.145 1.00 42.22 H new ATOM 0 HG3 LYS A 30 -5.893 6.539 -10.216 1.00 42.22 H new ATOM 0 HD2 LYS A 30 -6.064 6.843 -12.817 1.00 21.14 H new ATOM 0 HD3 LYS A 30 -6.948 8.308 -12.435 1.00 21.14 H new ATOM 0 HE2 LYS A 30 -5.020 9.055 -11.002 1.00 63.40 H new ATOM 0 HE3 LYS A 30 -4.135 7.622 -11.487 1.00 63.40 H new ATOM 0 HZ1 LYS A 30 -3.522 9.527 -12.828 1.00 11.23 H new ATOM 0 HZ2 LYS A 30 -4.273 8.354 -13.798 1.00 11.23 H new ATOM 0 HZ3 LYS A 30 -5.130 9.742 -13.328 1.00 11.23 H new ATOM 488 N LEU A 31 -10.568 4.432 -11.361 1.00 43.12 N ATOM 489 CA LEU A 31 -11.378 3.381 -11.967 1.00 22.33 C ATOM 490 C LEU A 31 -12.666 3.953 -12.550 1.00 4.41 C ATOM 491 O LEU A 31 -13.061 3.608 -13.663 1.00 2.12 O ATOM 492 CB LEU A 31 -11.708 2.304 -10.931 1.00 41.05 C ATOM 493 CG LEU A 31 -11.976 0.903 -11.482 1.00 53.13 C ATOM 494 CD1 LEU A 31 -13.208 0.907 -12.374 1.00 52.10 C ATOM 495 CD2 LEU A 31 -10.765 0.389 -12.246 1.00 45.21 C ATOM 0 H LEU A 31 -10.510 4.386 -10.344 1.00 43.12 H new ATOM 0 HA LEU A 31 -10.802 2.934 -12.777 1.00 22.33 H new ATOM 0 HB2 LEU A 31 -10.881 2.243 -10.224 1.00 41.05 H new ATOM 0 HB3 LEU A 31 -12.585 2.625 -10.369 1.00 41.05 H new ATOM 0 HG LEU A 31 -12.162 0.233 -10.642 1.00 53.13 H new ATOM 0 HD11 LEU A 31 -13.383 -0.098 -12.757 1.00 52.10 H new ATOM 0 HD12 LEU A 31 -14.074 1.231 -11.797 1.00 52.10 H new ATOM 0 HD13 LEU A 31 -13.051 1.591 -13.208 1.00 52.10 H new ATOM 0 HD21 LEU A 31 -10.974 -0.609 -12.631 1.00 45.21 H new ATOM 0 HD22 LEU A 31 -10.547 1.060 -13.077 1.00 45.21 H new ATOM 0 HD23 LEU A 31 -9.904 0.347 -11.578 1.00 45.21 H new ATOM 507 N GLU A 32 -13.314 4.832 -11.791 1.00 22.40 N ATOM 508 CA GLU A 32 -14.556 5.453 -12.234 1.00 73.13 C ATOM 509 C GLU A 32 -14.304 6.402 -13.402 1.00 65.23 C ATOM 510 O GLU A 32 -15.092 6.466 -14.344 1.00 74.25 O ATOM 511 CB GLU A 32 -15.213 6.212 -11.079 1.00 73.34 C ATOM 512 CG GLU A 32 -14.313 7.261 -10.450 1.00 44.32 C ATOM 513 CD GLU A 32 -14.441 8.617 -11.118 1.00 70.52 C ATOM 514 OE1 GLU A 32 -15.217 8.728 -12.090 1.00 45.34 O ATOM 515 OE2 GLU A 32 -13.765 9.566 -10.668 1.00 34.51 O ATOM 0 H GLU A 32 -12.999 5.129 -10.867 1.00 22.40 H new ATOM 0 HA GLU A 32 -15.228 4.663 -12.569 1.00 73.13 H new ATOM 0 HB2 GLU A 32 -16.120 6.695 -11.442 1.00 73.34 H new ATOM 0 HB3 GLU A 32 -15.516 5.499 -10.313 1.00 73.34 H new ATOM 0 HG2 GLU A 32 -14.558 7.357 -9.392 1.00 44.32 H new ATOM 0 HG3 GLU A 32 -13.277 6.928 -10.509 1.00 44.32 H new ATOM 522 N GLU A 33 -13.198 7.137 -13.331 1.00 52.04 N ATOM 523 CA GLU A 33 -12.842 8.083 -14.382 1.00 55.51 C ATOM 524 C GLU A 33 -12.471 7.353 -15.669 1.00 52.15 C ATOM 525 O GLU A 33 -12.759 7.826 -16.769 1.00 65.01 O ATOM 526 CB GLU A 33 -11.678 8.967 -13.930 1.00 40.32 C ATOM 527 CG GLU A 33 -11.494 10.213 -14.780 1.00 40.22 C ATOM 528 CD GLU A 33 -12.110 11.446 -14.149 1.00 13.42 C ATOM 529 OE1 GLU A 33 -13.299 11.389 -13.772 1.00 12.44 O ATOM 530 OE2 GLU A 33 -11.403 12.469 -14.032 1.00 24.11 O ATOM 0 H GLU A 33 -12.534 7.095 -12.558 1.00 52.04 H new ATOM 0 HA GLU A 33 -13.711 8.711 -14.579 1.00 55.51 H new ATOM 0 HB2 GLU A 33 -11.840 9.265 -12.894 1.00 40.32 H new ATOM 0 HB3 GLU A 33 -10.758 8.382 -13.954 1.00 40.32 H new ATOM 0 HG2 GLU A 33 -10.430 10.385 -14.940 1.00 40.22 H new ATOM 0 HG3 GLU A 33 -11.942 10.049 -15.760 1.00 40.22 H new ATOM 537 N SER A 34 -11.830 6.198 -15.524 1.00 32.23 N ATOM 538 CA SER A 34 -11.415 5.403 -16.674 1.00 12.41 C ATOM 539 C SER A 34 -12.626 4.921 -17.467 1.00 13.52 C ATOM 540 O SER A 34 -12.647 4.998 -18.695 1.00 33.13 O ATOM 541 CB SER A 34 -10.580 4.205 -16.218 1.00 41.33 C ATOM 542 OG SER A 34 -10.126 3.449 -17.327 1.00 61.03 O ATOM 0 H SER A 34 -11.586 5.791 -14.621 1.00 32.23 H new ATOM 0 HA SER A 34 -10.807 6.035 -17.321 1.00 12.41 H new ATOM 0 HB2 SER A 34 -9.726 4.553 -15.637 1.00 41.33 H new ATOM 0 HB3 SER A 34 -11.176 3.571 -15.561 1.00 41.33 H new ATOM 0 HG SER A 34 -9.594 2.690 -17.010 1.00 61.03 H new ATOM 548 N GLU A 35 -13.633 4.425 -16.754 1.00 42.03 N ATOM 549 CA GLU A 35 -14.847 3.930 -17.391 1.00 74.43 C ATOM 550 C GLU A 35 -15.815 5.073 -17.680 1.00 55.22 C ATOM 551 O GLU A 35 -16.855 4.877 -18.308 1.00 12.31 O ATOM 552 CB GLU A 35 -15.526 2.885 -16.503 1.00 62.41 C ATOM 553 CG GLU A 35 -14.921 1.496 -16.626 1.00 1.20 C ATOM 554 CD GLU A 35 -15.547 0.684 -17.743 1.00 32.34 C ATOM 555 OE1 GLU A 35 -15.045 0.756 -18.883 1.00 63.24 O ATOM 556 OE2 GLU A 35 -16.540 -0.025 -17.475 1.00 13.22 O ATOM 0 H GLU A 35 -13.632 4.356 -15.736 1.00 42.03 H new ATOM 0 HA GLU A 35 -14.567 3.466 -18.337 1.00 74.43 H new ATOM 0 HB2 GLU A 35 -15.464 3.208 -15.464 1.00 62.41 H new ATOM 0 HB3 GLU A 35 -16.584 2.835 -16.759 1.00 62.41 H new ATOM 0 HG2 GLU A 35 -13.849 1.585 -16.803 1.00 1.20 H new ATOM 0 HG3 GLU A 35 -15.045 0.965 -15.682 1.00 1.20 H new ATOM 563 N GLY A 36 -15.465 6.269 -17.216 1.00 52.12 N ATOM 564 CA GLY A 36 -16.313 7.427 -17.433 1.00 71.45 C ATOM 565 C GLY A 36 -17.308 7.636 -16.309 1.00 60.21 C ATOM 566 O GLY A 36 -17.501 8.759 -15.844 1.00 10.35 O ATOM 0 H GLY A 36 -14.609 6.457 -16.694 1.00 52.12 H new ATOM 0 HA2 GLY A 36 -15.690 8.316 -17.533 1.00 71.45 H new ATOM 0 HA3 GLY A 36 -16.851 7.308 -18.373 1.00 71.45 H new ATOM 570 N ILE A 37 -17.942 6.553 -15.873 1.00 21.40 N ATOM 571 CA ILE A 37 -18.922 6.623 -14.797 1.00 15.41 C ATOM 572 C ILE A 37 -18.776 5.444 -13.841 1.00 42.31 C ATOM 573 O ILE A 37 -18.278 4.378 -14.203 1.00 71.11 O ATOM 574 CB ILE A 37 -20.361 6.648 -15.347 1.00 1.13 C ATOM 575 CG1 ILE A 37 -20.542 5.563 -16.410 1.00 54.22 C ATOM 576 CG2 ILE A 37 -20.685 8.019 -15.920 1.00 51.45 C ATOM 577 CD1 ILE A 37 -21.823 4.773 -16.254 1.00 64.44 C ATOM 0 H ILE A 37 -17.794 5.616 -16.249 1.00 21.40 H new ATOM 0 HA ILE A 37 -18.731 7.551 -14.257 1.00 15.41 H new ATOM 0 HB ILE A 37 -21.051 6.446 -14.528 1.00 1.13 H new ATOM 0 HG12 ILE A 37 -20.528 6.026 -17.397 1.00 54.22 H new ATOM 0 HG13 ILE A 37 -19.695 4.879 -16.367 1.00 54.22 H new ATOM 0 HG21 ILE A 37 -21.705 8.021 -16.305 1.00 51.45 H new ATOM 0 HG22 ILE A 37 -20.591 8.772 -15.137 1.00 51.45 H new ATOM 0 HG23 ILE A 37 -19.992 8.248 -16.729 1.00 51.45 H new ATOM 0 HD11 ILE A 37 -21.885 4.022 -17.041 1.00 64.44 H new ATOM 0 HD12 ILE A 37 -21.831 4.281 -15.281 1.00 64.44 H new ATOM 0 HD13 ILE A 37 -22.677 5.446 -16.327 1.00 64.44 H new ATOM 589 N PRO A 38 -19.221 5.637 -12.591 1.00 3.45 N ATOM 590 CA PRO A 38 -19.152 4.600 -11.557 1.00 10.21 C ATOM 591 C PRO A 38 -20.115 3.449 -11.826 1.00 62.22 C ATOM 592 O PRO A 38 -21.235 3.659 -12.289 1.00 61.15 O ATOM 593 CB PRO A 38 -19.552 5.344 -10.281 1.00 12.55 C ATOM 594 CG PRO A 38 -20.387 6.485 -10.753 1.00 21.43 C ATOM 595 CD PRO A 38 -19.825 6.883 -12.090 1.00 14.15 C ATOM 0 HA PRO A 38 -18.165 4.140 -11.507 1.00 10.21 H new ATOM 0 HB2 PRO A 38 -20.111 4.697 -9.605 1.00 12.55 H new ATOM 0 HB3 PRO A 38 -18.676 5.694 -9.736 1.00 12.55 H new ATOM 0 HG2 PRO A 38 -21.433 6.193 -10.841 1.00 21.43 H new ATOM 0 HG3 PRO A 38 -20.346 7.316 -10.049 1.00 21.43 H new ATOM 0 HD2 PRO A 38 -20.603 7.250 -12.760 1.00 14.15 H new ATOM 0 HD3 PRO A 38 -19.085 7.678 -11.994 1.00 14.15 H new ATOM 603 N GLY A 39 -19.670 2.231 -11.532 1.00 75.51 N ATOM 604 CA GLY A 39 -20.506 1.064 -11.749 1.00 62.11 C ATOM 605 C GLY A 39 -21.880 1.211 -11.127 1.00 30.24 C ATOM 606 O GLY A 39 -22.890 0.901 -11.756 1.00 73.43 O ATOM 0 H GLY A 39 -18.746 2.031 -11.148 1.00 75.51 H new ATOM 0 HA2 GLY A 39 -20.612 0.891 -12.820 1.00 62.11 H new ATOM 0 HA3 GLY A 39 -20.014 0.186 -11.332 1.00 62.11 H new ATOM 610 N ASN A 40 -21.918 1.684 -9.885 1.00 70.11 N ATOM 611 CA ASN A 40 -23.179 1.869 -9.176 1.00 1.00 C ATOM 612 C ASN A 40 -22.934 2.326 -7.741 1.00 30.50 C ATOM 613 O ASN A 40 -23.202 3.474 -7.390 1.00 44.44 O ATOM 614 CB ASN A 40 -23.985 0.569 -9.179 1.00 33.32 C ATOM 615 CG ASN A 40 -25.299 0.705 -9.924 1.00 31.22 C ATOM 616 OD1 ASN A 40 -25.384 0.404 -11.115 1.00 33.15 O ATOM 617 ND2 ASN A 40 -26.332 1.161 -9.224 1.00 25.51 N ATOM 0 H ASN A 40 -21.090 1.946 -9.349 1.00 70.11 H new ATOM 0 HA ASN A 40 -23.748 2.642 -9.692 1.00 1.00 H new ATOM 0 HB2 ASN A 40 -23.391 -0.222 -9.637 1.00 33.32 H new ATOM 0 HB3 ASN A 40 -24.183 0.265 -8.151 1.00 33.32 H new ATOM 0 HD21 ASN A 40 -27.241 1.274 -9.672 1.00 25.51 H new ATOM 0 HD22 ASN A 40 -26.216 1.398 -8.239 1.00 25.51 H new ATOM 624 N MET A 41 -22.423 1.417 -6.916 1.00 12.40 N ATOM 625 CA MET A 41 -22.140 1.728 -5.519 1.00 74.43 C ATOM 626 C MET A 41 -20.643 1.910 -5.295 1.00 64.34 C ATOM 627 O MET A 41 -20.220 2.804 -4.562 1.00 44.24 O ATOM 628 CB MET A 41 -22.673 0.618 -4.610 1.00 64.14 C ATOM 629 CG MET A 41 -24.160 0.732 -4.320 1.00 32.33 C ATOM 630 SD MET A 41 -24.632 -0.086 -2.783 1.00 52.25 S ATOM 631 CE MET A 41 -24.724 1.314 -1.670 1.00 32.14 C ATOM 0 H MET A 41 -22.197 0.461 -7.190 1.00 12.40 H new ATOM 0 HA MET A 41 -22.642 2.663 -5.272 1.00 74.43 H new ATOM 0 HB2 MET A 41 -22.475 -0.348 -5.075 1.00 64.14 H new ATOM 0 HB3 MET A 41 -22.125 0.637 -3.668 1.00 64.14 H new ATOM 0 HG2 MET A 41 -24.436 1.785 -4.266 1.00 32.33 H new ATOM 0 HG3 MET A 41 -24.722 0.297 -5.146 1.00 32.33 H new ATOM 0 HE1 MET A 41 -25.006 0.970 -0.675 1.00 32.14 H new ATOM 0 HE2 MET A 41 -23.752 1.805 -1.622 1.00 32.14 H new ATOM 0 HE3 MET A 41 -25.470 2.020 -2.035 1.00 32.14 H new ATOM 641 N ILE A 42 -19.846 1.057 -5.930 1.00 61.34 N ATOM 642 CA ILE A 42 -18.396 1.125 -5.800 1.00 43.14 C ATOM 643 C ILE A 42 -17.976 1.154 -4.335 1.00 30.23 C ATOM 644 O ILE A 42 -17.247 2.047 -3.905 1.00 4.43 O ATOM 645 CB ILE A 42 -17.825 2.367 -6.511 1.00 22.34 C ATOM 646 CG1 ILE A 42 -18.460 2.527 -7.893 1.00 42.43 C ATOM 647 CG2 ILE A 42 -16.311 2.262 -6.626 1.00 34.13 C ATOM 648 CD1 ILE A 42 -18.246 1.335 -8.799 1.00 20.22 C ATOM 0 H ILE A 42 -20.180 0.311 -6.540 1.00 61.34 H new ATOM 0 HA ILE A 42 -17.994 0.229 -6.273 1.00 43.14 H new ATOM 0 HB ILE A 42 -18.064 3.250 -5.918 1.00 22.34 H new ATOM 0 HG12 ILE A 42 -19.530 2.695 -7.775 1.00 42.43 H new ATOM 0 HG13 ILE A 42 -18.049 3.415 -8.372 1.00 42.43 H new ATOM 0 HG21 ILE A 42 -15.922 3.147 -7.130 1.00 34.13 H new ATOM 0 HG22 ILE A 42 -15.874 2.191 -5.630 1.00 34.13 H new ATOM 0 HG23 ILE A 42 -16.051 1.373 -7.200 1.00 34.13 H new ATOM 0 HD11 ILE A 42 -18.724 1.519 -9.761 1.00 20.22 H new ATOM 0 HD12 ILE A 42 -17.178 1.178 -8.948 1.00 20.22 H new ATOM 0 HD13 ILE A 42 -18.682 0.447 -8.341 1.00 20.22 H new ATOM 660 N ARG A 43 -18.440 0.169 -3.573 1.00 32.14 N ATOM 661 CA ARG A 43 -18.113 0.081 -2.155 1.00 25.43 C ATOM 662 C ARG A 43 -17.340 -1.201 -1.854 1.00 14.31 C ATOM 663 O ARG A 43 -17.847 -2.305 -2.055 1.00 63.35 O ATOM 664 CB ARG A 43 -19.387 0.130 -1.311 1.00 15.43 C ATOM 665 CG ARG A 43 -19.277 1.034 -0.094 1.00 14.42 C ATOM 666 CD ARG A 43 -20.352 0.717 0.935 1.00 45.22 C ATOM 667 NE ARG A 43 -21.526 1.572 0.782 1.00 45.33 N ATOM 668 CZ ARG A 43 -21.555 2.851 1.140 1.00 41.24 C ATOM 669 NH1 ARG A 43 -20.480 3.420 1.668 1.00 32.01 N ATOM 670 NH2 ARG A 43 -22.661 3.564 0.969 1.00 60.04 N ATOM 0 H ARG A 43 -19.044 -0.579 -3.914 1.00 32.14 H new ATOM 0 HA ARG A 43 -17.484 0.934 -1.900 1.00 25.43 H new ATOM 0 HB2 ARG A 43 -20.213 0.473 -1.934 1.00 15.43 H new ATOM 0 HB3 ARG A 43 -19.634 -0.879 -0.982 1.00 15.43 H new ATOM 0 HG2 ARG A 43 -18.293 0.918 0.359 1.00 14.42 H new ATOM 0 HG3 ARG A 43 -19.364 2.075 -0.404 1.00 14.42 H new ATOM 0 HD2 ARG A 43 -20.649 -0.327 0.839 1.00 45.22 H new ATOM 0 HD3 ARG A 43 -19.942 0.840 1.937 1.00 45.22 H new ATOM 0 HE ARG A 43 -22.370 1.165 0.378 1.00 45.33 H new ATOM 0 HH11 ARG A 43 -19.628 2.875 1.800 1.00 32.01 H new ATOM 0 HH12 ARG A 43 -20.505 4.402 1.942 1.00 32.01 H new ATOM 0 HH21 ARG A 43 -23.490 3.130 0.562 1.00 60.04 H new ATOM 0 HH22 ARG A 43 -22.682 4.546 1.244 1.00 60.04 H new ATOM 684 N LEU A 44 -16.112 -1.046 -1.371 1.00 55.44 N ATOM 685 CA LEU A 44 -15.269 -2.190 -1.043 1.00 13.11 C ATOM 686 C LEU A 44 -15.178 -2.383 0.467 1.00 31.53 C ATOM 687 O LEU A 44 -15.374 -1.443 1.237 1.00 31.13 O ATOM 688 CB LEU A 44 -13.869 -2.002 -1.630 1.00 33.10 C ATOM 689 CG LEU A 44 -13.135 -0.725 -1.219 1.00 70.32 C ATOM 690 CD1 LEU A 44 -11.634 -0.966 -1.167 1.00 53.13 C ATOM 691 CD2 LEU A 44 -13.462 0.410 -2.178 1.00 51.11 C ATOM 0 H LEU A 44 -15.678 -0.139 -1.198 1.00 55.44 H new ATOM 0 HA LEU A 44 -15.722 -3.081 -1.478 1.00 13.11 H new ATOM 0 HB2 LEU A 44 -13.258 -2.857 -1.342 1.00 33.10 H new ATOM 0 HB3 LEU A 44 -13.947 -2.018 -2.717 1.00 33.10 H new ATOM 0 HG LEU A 44 -13.471 -0.440 -0.222 1.00 70.32 H new ATOM 0 HD11 LEU A 44 -11.128 -0.047 -0.873 1.00 53.13 H new ATOM 0 HD12 LEU A 44 -11.416 -1.749 -0.440 1.00 53.13 H new ATOM 0 HD13 LEU A 44 -11.281 -1.276 -2.151 1.00 53.13 H new ATOM 0 HD21 LEU A 44 -12.931 1.311 -1.870 1.00 51.11 H new ATOM 0 HD22 LEU A 44 -13.154 0.134 -3.187 1.00 51.11 H new ATOM 0 HD23 LEU A 44 -14.535 0.599 -2.165 1.00 51.11 H new ATOM 703 N VAL A 45 -14.877 -3.609 0.885 1.00 72.24 N ATOM 704 CA VAL A 45 -14.756 -3.926 2.303 1.00 53.23 C ATOM 705 C VAL A 45 -13.331 -4.335 2.655 1.00 64.12 C ATOM 706 O VAL A 45 -12.816 -5.332 2.147 1.00 52.44 O ATOM 707 CB VAL A 45 -15.719 -5.058 2.709 1.00 2.51 C ATOM 708 CG1 VAL A 45 -15.717 -5.244 4.219 1.00 52.32 C ATOM 709 CG2 VAL A 45 -17.123 -4.770 2.201 1.00 74.14 C ATOM 0 H VAL A 45 -14.712 -4.399 0.261 1.00 72.24 H new ATOM 0 HA VAL A 45 -15.017 -3.022 2.853 1.00 53.23 H new ATOM 0 HB VAL A 45 -15.375 -5.986 2.252 1.00 2.51 H new ATOM 0 HG11 VAL A 45 -16.403 -6.048 4.488 1.00 52.32 H new ATOM 0 HG12 VAL A 45 -14.711 -5.499 4.553 1.00 52.32 H new ATOM 0 HG13 VAL A 45 -16.036 -4.319 4.700 1.00 52.32 H new ATOM 0 HG21 VAL A 45 -17.790 -5.580 2.497 1.00 74.14 H new ATOM 0 HG22 VAL A 45 -17.479 -3.832 2.628 1.00 74.14 H new ATOM 0 HG23 VAL A 45 -17.108 -4.691 1.114 1.00 74.14 H new ATOM 719 N TYR A 46 -12.697 -3.560 3.528 1.00 52.10 N ATOM 720 CA TYR A 46 -11.329 -3.840 3.947 1.00 32.43 C ATOM 721 C TYR A 46 -11.305 -4.485 5.330 1.00 5.30 C ATOM 722 O TYR A 46 -11.697 -3.869 6.320 1.00 14.52 O ATOM 723 CB TYR A 46 -10.503 -2.553 3.957 1.00 24.43 C ATOM 724 CG TYR A 46 -9.107 -2.726 3.402 1.00 50.15 C ATOM 725 CD1 TYR A 46 -8.339 -3.835 3.733 1.00 64.23 C ATOM 726 CD2 TYR A 46 -8.556 -1.779 2.546 1.00 35.44 C ATOM 727 CE1 TYR A 46 -7.063 -3.997 3.228 1.00 3.20 C ATOM 728 CE2 TYR A 46 -7.282 -1.933 2.036 1.00 72.52 C ATOM 729 CZ TYR A 46 -6.539 -3.044 2.380 1.00 52.43 C ATOM 730 OH TYR A 46 -5.269 -3.200 1.874 1.00 1.03 O ATOM 0 H TYR A 46 -13.109 -2.733 3.959 1.00 52.10 H new ATOM 0 HA TYR A 46 -10.892 -4.538 3.233 1.00 32.43 H new ATOM 0 HB2 TYR A 46 -11.024 -1.792 3.376 1.00 24.43 H new ATOM 0 HB3 TYR A 46 -10.435 -2.183 4.980 1.00 24.43 H new ATOM 0 HD1 TYR A 46 -8.746 -4.584 4.397 1.00 64.23 H new ATOM 0 HD2 TYR A 46 -9.134 -0.908 2.275 1.00 35.44 H new ATOM 0 HE1 TYR A 46 -6.479 -4.865 3.496 1.00 3.20 H new ATOM 0 HE2 TYR A 46 -6.869 -1.188 1.372 1.00 72.52 H new ATOM 0 HH TYR A 46 -5.302 -3.769 1.077 1.00 1.03 H new ATOM 740 N GLN A 47 -10.839 -5.728 5.388 1.00 73.31 N ATOM 741 CA GLN A 47 -10.763 -6.457 6.649 1.00 61.05 C ATOM 742 C GLN A 47 -12.127 -6.512 7.329 1.00 4.53 C ATOM 743 O GLN A 47 -12.222 -6.473 8.555 1.00 4.52 O ATOM 744 CB GLN A 47 -9.741 -5.802 7.579 1.00 21.13 C ATOM 745 CG GLN A 47 -8.825 -6.797 8.273 1.00 22.14 C ATOM 746 CD GLN A 47 -7.399 -6.734 7.761 1.00 55.01 C ATOM 747 OE1 GLN A 47 -7.029 -7.452 6.832 1.00 72.31 O ATOM 748 NE2 GLN A 47 -6.590 -5.872 8.365 1.00 15.42 N ATOM 0 H GLN A 47 -10.508 -6.251 4.577 1.00 73.31 H new ATOM 0 HA GLN A 47 -10.445 -7.477 6.432 1.00 61.05 H new ATOM 0 HB2 GLN A 47 -9.135 -5.102 7.004 1.00 21.13 H new ATOM 0 HB3 GLN A 47 -10.270 -5.220 8.334 1.00 21.13 H new ATOM 0 HG2 GLN A 47 -8.831 -6.603 9.346 1.00 22.14 H new ATOM 0 HG3 GLN A 47 -9.214 -7.805 8.129 1.00 22.14 H new ATOM 0 HE21 GLN A 47 -6.939 -5.296 9.131 1.00 15.42 H new ATOM 0 HE22 GLN A 47 -5.620 -5.786 8.063 1.00 15.42 H new ATOM 757 N GLY A 48 -13.181 -6.602 6.525 1.00 53.45 N ATOM 758 CA GLY A 48 -14.526 -6.659 7.068 1.00 61.45 C ATOM 759 C GLY A 48 -15.065 -5.289 7.427 1.00 33.21 C ATOM 760 O GLY A 48 -16.173 -5.167 7.950 1.00 31.12 O ATOM 0 H GLY A 48 -13.128 -6.637 5.507 1.00 53.45 H new ATOM 0 HA2 GLY A 48 -15.189 -7.127 6.340 1.00 61.45 H new ATOM 0 HA3 GLY A 48 -14.530 -7.291 7.956 1.00 61.45 H new ATOM 764 N LYS A 49 -14.280 -4.254 7.148 1.00 33.11 N ATOM 765 CA LYS A 49 -14.684 -2.885 7.445 1.00 0.04 C ATOM 766 C LYS A 49 -15.132 -2.162 6.179 1.00 64.52 C ATOM 767 O LYS A 49 -14.713 -2.510 5.075 1.00 22.01 O ATOM 768 CB LYS A 49 -13.530 -2.122 8.100 1.00 51.12 C ATOM 769 CG LYS A 49 -13.811 -1.706 9.533 1.00 33.13 C ATOM 770 CD LYS A 49 -14.029 -2.912 10.431 1.00 24.44 C ATOM 771 CE LYS A 49 -12.745 -3.705 10.620 1.00 65.52 C ATOM 772 NZ LYS A 49 -12.796 -4.563 11.836 1.00 22.21 N ATOM 0 H LYS A 49 -13.360 -4.337 6.716 1.00 33.11 H new ATOM 0 HA LYS A 49 -15.526 -2.923 8.137 1.00 0.04 H new ATOM 0 HB2 LYS A 49 -12.636 -2.745 8.080 1.00 51.12 H new ATOM 0 HB3 LYS A 49 -13.312 -1.233 7.509 1.00 51.12 H new ATOM 0 HG2 LYS A 49 -12.977 -1.115 9.912 1.00 33.13 H new ATOM 0 HG3 LYS A 49 -14.693 -1.066 9.561 1.00 33.13 H new ATOM 0 HD2 LYS A 49 -14.400 -2.582 11.401 1.00 24.44 H new ATOM 0 HD3 LYS A 49 -14.795 -3.555 9.998 1.00 24.44 H new ATOM 0 HE2 LYS A 49 -12.571 -4.328 9.743 1.00 65.52 H new ATOM 0 HE3 LYS A 49 -11.902 -3.018 10.695 1.00 65.52 H new ATOM 0 HZ1 LYS A 49 -11.902 -5.087 11.929 1.00 22.21 H new ATOM 0 HZ2 LYS A 49 -12.937 -3.966 12.676 1.00 22.21 H new ATOM 0 HZ3 LYS A 49 -13.585 -5.236 11.753 1.00 22.21 H new ATOM 786 N GLN A 50 -15.983 -1.156 6.347 1.00 51.13 N ATOM 787 CA GLN A 50 -16.486 -0.385 5.216 1.00 0.30 C ATOM 788 C GLN A 50 -15.933 1.037 5.237 1.00 31.45 C ATOM 789 O GLN A 50 -15.500 1.530 6.280 1.00 62.23 O ATOM 790 CB GLN A 50 -18.015 -0.350 5.235 1.00 71.01 C ATOM 791 CG GLN A 50 -18.651 -1.701 5.520 1.00 22.14 C ATOM 792 CD GLN A 50 -20.159 -1.679 5.373 1.00 34.02 C ATOM 793 OE1 GLN A 50 -20.777 -0.614 5.348 1.00 42.11 O ATOM 794 NE2 GLN A 50 -20.762 -2.858 5.275 1.00 72.12 N ATOM 0 H GLN A 50 -16.339 -0.855 7.254 1.00 51.13 H new ATOM 0 HA GLN A 50 -16.152 -0.872 4.300 1.00 0.30 H new ATOM 0 HB2 GLN A 50 -18.344 0.364 5.990 1.00 71.01 H new ATOM 0 HB3 GLN A 50 -18.374 0.015 4.273 1.00 71.01 H new ATOM 0 HG2 GLN A 50 -18.234 -2.445 4.841 1.00 22.14 H new ATOM 0 HG3 GLN A 50 -18.393 -2.013 6.532 1.00 22.14 H new ATOM 0 HE21 GLN A 50 -20.211 -3.716 5.300 1.00 72.12 H new ATOM 0 HE22 GLN A 50 -21.776 -2.905 5.174 1.00 72.12 H new ATOM 803 N LEU A 51 -15.950 1.690 4.081 1.00 15.22 N ATOM 804 CA LEU A 51 -15.450 3.056 3.967 1.00 74.24 C ATOM 805 C LEU A 51 -13.969 3.125 4.323 1.00 20.13 C ATOM 806 O LEU A 51 -13.604 3.124 5.498 1.00 5.13 O ATOM 807 CB LEU A 51 -16.250 3.991 4.876 1.00 22.41 C ATOM 808 CG LEU A 51 -17.763 3.771 4.900 1.00 1.44 C ATOM 809 CD1 LEU A 51 -18.203 3.236 6.254 1.00 11.42 C ATOM 810 CD2 LEU A 51 -18.494 5.065 4.572 1.00 35.33 C ATOM 0 H LEU A 51 -16.304 1.296 3.209 1.00 15.22 H new ATOM 0 HA LEU A 51 -15.571 3.376 2.932 1.00 74.24 H new ATOM 0 HB2 LEU A 51 -15.872 3.888 5.893 1.00 22.41 H new ATOM 0 HB3 LEU A 51 -16.057 5.018 4.567 1.00 22.41 H new ATOM 0 HG LEU A 51 -18.016 3.031 4.141 1.00 1.44 H new ATOM 0 HD11 LEU A 51 -19.283 3.086 6.252 1.00 11.42 H new ATOM 0 HD12 LEU A 51 -17.705 2.287 6.449 1.00 11.42 H new ATOM 0 HD13 LEU A 51 -17.938 3.952 7.032 1.00 11.42 H new ATOM 0 HD21 LEU A 51 -19.570 4.891 4.593 1.00 35.33 H new ATOM 0 HD22 LEU A 51 -18.235 5.826 5.308 1.00 35.33 H new ATOM 0 HD23 LEU A 51 -18.201 5.407 3.579 1.00 35.33 H new ATOM 822 N GLU A 52 -13.122 3.187 3.301 1.00 65.21 N ATOM 823 CA GLU A 52 -11.680 3.258 3.508 1.00 41.02 C ATOM 824 C GLU A 52 -11.117 4.570 2.968 1.00 21.33 C ATOM 825 O GLU A 52 -9.924 4.845 3.096 1.00 22.05 O ATOM 826 CB GLU A 52 -10.986 2.075 2.829 1.00 2.14 C ATOM 827 CG GLU A 52 -11.656 0.739 3.102 1.00 64.34 C ATOM 828 CD GLU A 52 -11.553 0.320 4.555 1.00 13.35 C ATOM 829 OE1 GLU A 52 -10.432 0.352 5.104 1.00 44.13 O ATOM 830 OE2 GLU A 52 -12.594 -0.039 5.145 1.00 62.13 O ATOM 0 H GLU A 52 -13.409 3.190 2.322 1.00 65.21 H new ATOM 0 HA GLU A 52 -11.490 3.215 4.580 1.00 41.02 H new ATOM 0 HB2 GLU A 52 -10.962 2.247 1.753 1.00 2.14 H new ATOM 0 HB3 GLU A 52 -9.951 2.029 3.167 1.00 2.14 H new ATOM 0 HG2 GLU A 52 -12.707 0.799 2.819 1.00 64.34 H new ATOM 0 HG3 GLU A 52 -11.200 -0.027 2.474 1.00 64.34 H new ATOM 837 N ASP A 53 -11.984 5.375 2.364 1.00 31.42 N ATOM 838 CA ASP A 53 -11.575 6.658 1.805 1.00 21.21 C ATOM 839 C ASP A 53 -10.864 7.506 2.855 1.00 41.11 C ATOM 840 O ASP A 53 -9.867 8.165 2.562 1.00 10.20 O ATOM 841 CB ASP A 53 -12.789 7.411 1.260 1.00 51.13 C ATOM 842 CG ASP A 53 -12.528 8.021 -0.103 1.00 44.33 C ATOM 843 OD1 ASP A 53 -12.092 7.282 -1.010 1.00 73.23 O ATOM 844 OD2 ASP A 53 -12.757 9.239 -0.263 1.00 33.33 O ATOM 0 H ASP A 53 -12.975 5.162 2.249 1.00 31.42 H new ATOM 0 HA ASP A 53 -10.880 6.466 0.988 1.00 21.21 H new ATOM 0 HB2 ASP A 53 -13.636 6.728 1.193 1.00 51.13 H new ATOM 0 HB3 ASP A 53 -13.069 8.199 1.960 1.00 51.13 H new ATOM 849 N GLU A 54 -11.385 7.484 4.078 1.00 43.52 N ATOM 850 CA GLU A 54 -10.800 8.254 5.170 1.00 31.51 C ATOM 851 C GLU A 54 -9.445 7.680 5.575 1.00 51.01 C ATOM 852 O GLU A 54 -8.621 8.369 6.177 1.00 61.15 O ATOM 853 CB GLU A 54 -11.742 8.266 6.376 1.00 61.20 C ATOM 854 CG GLU A 54 -12.077 9.662 6.873 1.00 45.23 C ATOM 855 CD GLU A 54 -13.090 10.367 5.992 1.00 4.50 C ATOM 856 OE1 GLU A 54 -13.411 9.832 4.911 1.00 53.12 O ATOM 857 OE2 GLU A 54 -13.561 11.455 6.385 1.00 42.30 O ATOM 0 H GLU A 54 -12.210 6.942 4.337 1.00 43.52 H new ATOM 0 HA GLU A 54 -10.653 9.277 4.822 1.00 31.51 H new ATOM 0 HB2 GLU A 54 -12.666 7.753 6.110 1.00 61.20 H new ATOM 0 HB3 GLU A 54 -11.286 7.700 7.188 1.00 61.20 H new ATOM 0 HG2 GLU A 54 -12.467 9.598 7.889 1.00 45.23 H new ATOM 0 HG3 GLU A 54 -11.164 10.256 6.918 1.00 45.23 H new ATOM 864 N LYS A 55 -9.222 6.414 5.241 1.00 22.50 N ATOM 865 CA LYS A 55 -7.968 5.745 5.568 1.00 42.31 C ATOM 866 C LYS A 55 -7.009 5.777 4.382 1.00 73.53 C ATOM 867 O LYS A 55 -6.301 4.805 4.118 1.00 32.52 O ATOM 868 CB LYS A 55 -8.232 4.297 5.986 1.00 63.01 C ATOM 869 CG LYS A 55 -8.652 4.150 7.438 1.00 22.01 C ATOM 870 CD LYS A 55 -10.111 4.525 7.637 1.00 3.33 C ATOM 871 CE LYS A 55 -10.806 3.570 8.595 1.00 73.13 C ATOM 872 NZ LYS A 55 -12.265 3.852 8.698 1.00 41.12 N ATOM 0 H LYS A 55 -9.894 5.830 4.743 1.00 22.50 H new ATOM 0 HA LYS A 55 -7.507 6.278 6.400 1.00 42.31 H new ATOM 0 HB2 LYS A 55 -9.010 3.880 5.347 1.00 63.01 H new ATOM 0 HB3 LYS A 55 -7.330 3.708 5.816 1.00 63.01 H new ATOM 0 HG2 LYS A 55 -8.492 3.121 7.762 1.00 22.01 H new ATOM 0 HG3 LYS A 55 -8.024 4.783 8.065 1.00 22.01 H new ATOM 0 HD2 LYS A 55 -10.177 5.542 8.024 1.00 3.33 H new ATOM 0 HD3 LYS A 55 -10.625 4.516 6.676 1.00 3.33 H new ATOM 0 HE2 LYS A 55 -10.657 2.544 8.257 1.00 73.13 H new ATOM 0 HE3 LYS A 55 -10.350 3.650 9.582 1.00 73.13 H new ATOM 0 HZ1 LYS A 55 -12.703 3.180 9.360 1.00 41.12 H new ATOM 0 HZ2 LYS A 55 -12.407 4.822 9.045 1.00 41.12 H new ATOM 0 HZ3 LYS A 55 -12.705 3.751 7.761 1.00 41.12 H new ATOM 886 N ARG A 56 -6.991 6.899 3.671 1.00 53.23 N ATOM 887 CA ARG A 56 -6.119 7.056 2.513 1.00 53.40 C ATOM 888 C ARG A 56 -4.692 6.633 2.846 1.00 4.12 C ATOM 889 O ARG A 56 -4.265 5.529 2.506 1.00 23.23 O ATOM 890 CB ARG A 56 -6.133 8.508 2.031 1.00 2.20 C ATOM 891 CG ARG A 56 -6.335 9.519 3.148 1.00 34.10 C ATOM 892 CD ARG A 56 -7.761 10.047 3.170 1.00 74.22 C ATOM 893 NE ARG A 56 -7.813 11.472 3.483 1.00 4.22 N ATOM 894 CZ ARG A 56 -7.535 12.428 2.604 1.00 4.51 C ATOM 895 NH1 ARG A 56 -7.188 12.113 1.364 1.00 71.12 N ATOM 896 NH2 ARG A 56 -7.604 13.704 2.965 1.00 64.52 N ATOM 0 H ARG A 56 -7.570 7.713 3.876 1.00 53.23 H new ATOM 0 HA ARG A 56 -6.494 6.412 1.717 1.00 53.40 H new ATOM 0 HB2 ARG A 56 -5.192 8.723 1.524 1.00 2.20 H new ATOM 0 HB3 ARG A 56 -6.927 8.630 1.294 1.00 2.20 H new ATOM 0 HG2 ARG A 56 -6.103 9.055 4.107 1.00 34.10 H new ATOM 0 HG3 ARG A 56 -5.640 10.349 3.019 1.00 34.10 H new ATOM 0 HD2 ARG A 56 -8.227 9.872 2.200 1.00 74.22 H new ATOM 0 HD3 ARG A 56 -8.341 9.493 3.908 1.00 74.22 H new ATOM 0 HE ARG A 56 -8.077 11.749 4.429 1.00 4.22 H new ATOM 0 HH11 ARG A 56 -7.134 11.134 1.083 1.00 71.12 H new ATOM 0 HH12 ARG A 56 -6.975 12.850 0.691 1.00 71.12 H new ATOM 0 HH21 ARG A 56 -7.871 13.951 3.918 1.00 64.52 H new ATOM 0 HH22 ARG A 56 -7.390 14.437 2.289 1.00 64.52 H new ATOM 910 N LEU A 57 -3.958 7.518 3.512 1.00 31.12 N ATOM 911 CA LEU A 57 -2.578 7.237 3.891 1.00 23.24 C ATOM 912 C LEU A 57 -2.508 6.063 4.863 1.00 12.21 C ATOM 913 O LEU A 57 -1.570 5.267 4.826 1.00 22.03 O ATOM 914 CB LEU A 57 -1.939 8.475 4.523 1.00 52.11 C ATOM 915 CG LEU A 57 -0.411 8.525 4.506 1.00 50.15 C ATOM 916 CD1 LEU A 57 0.079 9.943 4.756 1.00 65.32 C ATOM 917 CD2 LEU A 57 0.166 7.569 5.539 1.00 34.13 C ATOM 0 H LEU A 57 -4.296 8.436 3.801 1.00 31.12 H new ATOM 0 HA LEU A 57 -2.027 6.972 2.989 1.00 23.24 H new ATOM 0 HB2 LEU A 57 -2.317 9.358 4.007 1.00 52.11 H new ATOM 0 HB3 LEU A 57 -2.273 8.543 5.558 1.00 52.11 H new ATOM 0 HG LEU A 57 -0.067 8.212 3.520 1.00 50.15 H new ATOM 0 HD11 LEU A 57 1.169 9.959 4.740 1.00 65.32 H new ATOM 0 HD12 LEU A 57 -0.305 10.603 3.978 1.00 65.32 H new ATOM 0 HD13 LEU A 57 -0.275 10.284 5.729 1.00 65.32 H new ATOM 0 HD21 LEU A 57 1.255 7.618 5.512 1.00 34.13 H new ATOM 0 HD22 LEU A 57 -0.186 7.850 6.532 1.00 34.13 H new ATOM 0 HD23 LEU A 57 -0.157 6.552 5.314 1.00 34.13 H new ATOM 929 N LYS A 58 -3.509 5.961 5.731 1.00 22.53 N ATOM 930 CA LYS A 58 -3.565 4.882 6.711 1.00 5.54 C ATOM 931 C LYS A 58 -3.548 3.521 6.024 1.00 21.11 C ATOM 932 O LYS A 58 -3.122 2.525 6.609 1.00 33.23 O ATOM 933 CB LYS A 58 -4.821 5.015 7.575 1.00 73.45 C ATOM 934 CG LYS A 58 -4.527 5.251 9.046 1.00 63.32 C ATOM 935 CD LYS A 58 -5.010 4.094 9.904 1.00 61.51 C ATOM 936 CE LYS A 58 -4.124 3.897 11.125 1.00 55.41 C ATOM 937 NZ LYS A 58 -3.836 2.458 11.376 1.00 53.04 N ATOM 0 H LYS A 58 -4.293 6.612 5.776 1.00 22.53 H new ATOM 0 HA LYS A 58 -2.684 4.957 7.348 1.00 5.54 H new ATOM 0 HB2 LYS A 58 -5.425 5.840 7.197 1.00 73.45 H new ATOM 0 HB3 LYS A 58 -5.419 4.109 7.474 1.00 73.45 H new ATOM 0 HG2 LYS A 58 -3.455 5.386 9.186 1.00 63.32 H new ATOM 0 HG3 LYS A 58 -5.010 6.173 9.371 1.00 63.32 H new ATOM 0 HD2 LYS A 58 -6.035 4.280 10.224 1.00 61.51 H new ATOM 0 HD3 LYS A 58 -5.022 3.180 9.311 1.00 61.51 H new ATOM 0 HE2 LYS A 58 -3.187 4.436 10.984 1.00 55.41 H new ATOM 0 HE3 LYS A 58 -4.611 4.328 12.000 1.00 55.41 H new ATOM 0 HZ1 LYS A 58 -3.230 2.367 12.216 1.00 53.04 H new ATOM 0 HZ2 LYS A 58 -4.728 1.948 11.536 1.00 53.04 H new ATOM 0 HZ3 LYS A 58 -3.349 2.053 10.552 1.00 53.04 H new ATOM 951 N ASP A 59 -4.012 3.486 4.780 1.00 60.31 N ATOM 952 CA ASP A 59 -4.048 2.246 4.012 1.00 41.50 C ATOM 953 C ASP A 59 -2.690 1.960 3.378 1.00 11.42 C ATOM 954 O ASP A 59 -2.420 0.840 2.945 1.00 43.13 O ATOM 955 CB ASP A 59 -5.124 2.324 2.928 1.00 13.12 C ATOM 956 CG ASP A 59 -6.450 1.748 3.386 1.00 24.42 C ATOM 957 OD1 ASP A 59 -6.766 1.871 4.588 1.00 73.14 O ATOM 958 OD2 ASP A 59 -7.170 1.172 2.543 1.00 3.22 O ATOM 0 H ASP A 59 -4.368 4.301 4.282 1.00 60.31 H new ATOM 0 HA ASP A 59 -4.289 1.431 4.695 1.00 41.50 H new ATOM 0 HB2 ASP A 59 -5.265 3.364 2.634 1.00 13.12 H new ATOM 0 HB3 ASP A 59 -4.784 1.786 2.043 1.00 13.12 H new ATOM 963 N TYR A 60 -1.841 2.980 3.327 1.00 45.23 N ATOM 964 CA TYR A 60 -0.512 2.839 2.743 1.00 40.44 C ATOM 965 C TYR A 60 0.419 2.080 3.683 1.00 1.42 C ATOM 966 O TYR A 60 1.423 1.513 3.254 1.00 21.43 O ATOM 967 CB TYR A 60 0.077 4.215 2.425 1.00 74.04 C ATOM 968 CG TYR A 60 1.357 4.155 1.623 1.00 41.03 C ATOM 969 CD1 TYR A 60 1.369 3.640 0.332 1.00 14.04 C ATOM 970 CD2 TYR A 60 2.555 4.615 2.155 1.00 24.54 C ATOM 971 CE1 TYR A 60 2.536 3.583 -0.403 1.00 64.33 C ATOM 972 CE2 TYR A 60 3.728 4.563 1.426 1.00 33.53 C ATOM 973 CZ TYR A 60 3.713 4.045 0.148 1.00 41.33 C ATOM 974 OH TYR A 60 4.878 3.991 -0.583 1.00 2.25 O ATOM 0 H TYR A 60 -2.049 3.913 3.683 1.00 45.23 H new ATOM 0 HA TYR A 60 -0.608 2.270 1.819 1.00 40.44 H new ATOM 0 HB2 TYR A 60 -0.661 4.798 1.873 1.00 74.04 H new ATOM 0 HB3 TYR A 60 0.268 4.744 3.359 1.00 74.04 H new ATOM 0 HD1 TYR A 60 0.449 3.278 -0.104 1.00 14.04 H new ATOM 0 HD2 TYR A 60 2.570 5.020 3.156 1.00 24.54 H new ATOM 0 HE1 TYR A 60 2.527 3.179 -1.404 1.00 64.33 H new ATOM 0 HE2 TYR A 60 4.651 4.926 1.854 1.00 33.53 H new ATOM 0 HH TYR A 60 5.615 4.357 -0.051 1.00 2.25 H new ATOM 984 N GLN A 61 0.077 2.076 4.967 1.00 33.34 N ATOM 985 CA GLN A 61 0.881 1.387 5.969 1.00 24.15 C ATOM 986 C GLN A 61 0.663 -0.121 5.900 1.00 1.14 C ATOM 987 O GLN A 61 1.332 -0.887 6.594 1.00 52.24 O ATOM 988 CB GLN A 61 0.540 1.900 7.369 1.00 14.14 C ATOM 989 CG GLN A 61 1.755 2.334 8.172 1.00 45.11 C ATOM 990 CD GLN A 61 1.388 2.887 9.535 1.00 62.02 C ATOM 991 OE1 GLN A 61 0.497 2.369 10.208 1.00 32.21 O ATOM 992 NE2 GLN A 61 2.075 3.945 9.950 1.00 41.04 N ATOM 0 H GLN A 61 -0.751 2.542 5.338 1.00 33.34 H new ATOM 0 HA GLN A 61 1.931 1.594 5.760 1.00 24.15 H new ATOM 0 HB2 GLN A 61 -0.146 2.742 7.281 1.00 14.14 H new ATOM 0 HB3 GLN A 61 0.015 1.117 7.916 1.00 14.14 H new ATOM 0 HG2 GLN A 61 2.425 1.484 8.298 1.00 45.11 H new ATOM 0 HG3 GLN A 61 2.303 3.092 7.613 1.00 45.11 H new ATOM 0 HE21 GLN A 61 2.806 4.342 9.359 1.00 41.04 H new ATOM 0 HE22 GLN A 61 1.872 4.360 10.859 1.00 41.04 H new ATOM 1001 N MET A 62 -0.277 -0.540 5.060 1.00 53.21 N ATOM 1002 CA MET A 62 -0.583 -1.957 4.900 1.00 2.21 C ATOM 1003 C MET A 62 0.369 -2.609 3.902 1.00 0.05 C ATOM 1004 O MET A 62 1.201 -3.436 4.274 1.00 22.51 O ATOM 1005 CB MET A 62 -2.029 -2.139 4.437 1.00 74.51 C ATOM 1006 CG MET A 62 -3.020 -1.252 5.173 1.00 1.10 C ATOM 1007 SD MET A 62 -3.011 -1.530 6.954 1.00 33.25 S ATOM 1008 CE MET A 62 -4.390 -0.507 7.464 1.00 53.13 C ATOM 0 H MET A 62 -0.840 0.081 4.479 1.00 53.21 H new ATOM 0 HA MET A 62 -0.455 -2.443 5.868 1.00 2.21 H new ATOM 0 HB2 MET A 62 -2.089 -1.928 3.369 1.00 74.51 H new ATOM 0 HB3 MET A 62 -2.317 -3.182 4.573 1.00 74.51 H new ATOM 0 HG2 MET A 62 -2.786 -0.207 4.971 1.00 1.10 H new ATOM 0 HG3 MET A 62 -4.022 -1.435 4.786 1.00 1.10 H new ATOM 0 HE1 MET A 62 -4.232 -0.167 8.488 1.00 53.13 H new ATOM 0 HE2 MET A 62 -4.467 0.356 6.803 1.00 53.13 H new ATOM 0 HE3 MET A 62 -5.312 -1.087 7.412 1.00 53.13 H new ATOM 1018 N SER A 63 0.240 -2.231 2.635 1.00 64.24 N ATOM 1019 CA SER A 63 1.087 -2.783 1.583 1.00 54.20 C ATOM 1020 C SER A 63 0.937 -4.299 1.505 1.00 64.11 C ATOM 1021 O SER A 63 1.838 -4.999 1.043 1.00 33.42 O ATOM 1022 CB SER A 63 2.551 -2.415 1.832 1.00 73.21 C ATOM 1023 OG SER A 63 2.682 -1.046 2.173 1.00 51.03 O ATOM 0 H SER A 63 -0.442 -1.545 2.311 1.00 64.24 H new ATOM 0 HA SER A 63 0.770 -2.355 0.632 1.00 54.20 H new ATOM 0 HB2 SER A 63 2.953 -3.033 2.635 1.00 73.21 H new ATOM 0 HB3 SER A 63 3.140 -2.629 0.940 1.00 73.21 H new ATOM 0 HG SER A 63 3.627 -0.837 2.329 1.00 51.03 H new ATOM 1029 N ALA A 64 -0.207 -4.799 1.960 1.00 2.12 N ATOM 1030 CA ALA A 64 -0.476 -6.231 1.941 1.00 72.33 C ATOM 1031 C ALA A 64 -1.866 -6.536 2.489 1.00 10.03 C ATOM 1032 O ALA A 64 -2.051 -7.490 3.244 1.00 2.31 O ATOM 1033 CB ALA A 64 0.583 -6.978 2.737 1.00 22.42 C ATOM 0 H ALA A 64 -0.963 -4.233 2.346 1.00 2.12 H new ATOM 0 HA ALA A 64 -0.441 -6.568 0.905 1.00 72.33 H new ATOM 0 HB1 ALA A 64 0.369 -8.047 2.714 1.00 22.42 H new ATOM 0 HB2 ALA A 64 1.564 -6.795 2.299 1.00 22.42 H new ATOM 0 HB3 ALA A 64 0.576 -6.629 3.769 1.00 22.42 H new ATOM 1039 N GLY A 65 -2.842 -5.718 2.105 1.00 64.31 N ATOM 1040 CA GLY A 65 -4.202 -5.917 2.569 1.00 72.12 C ATOM 1041 C GLY A 65 -5.161 -6.226 1.437 1.00 74.43 C ATOM 1042 O GLY A 65 -5.335 -5.420 0.524 1.00 55.32 O ATOM 0 H GLY A 65 -2.714 -4.921 1.481 1.00 64.31 H new ATOM 0 HA2 GLY A 65 -4.221 -6.734 3.290 1.00 72.12 H new ATOM 0 HA3 GLY A 65 -4.539 -5.022 3.092 1.00 72.12 H new ATOM 1046 N ALA A 66 -5.784 -7.399 1.495 1.00 54.13 N ATOM 1047 CA ALA A 66 -6.731 -7.813 0.467 1.00 51.45 C ATOM 1048 C ALA A 66 -7.924 -6.865 0.405 1.00 11.33 C ATOM 1049 O ALA A 66 -8.480 -6.482 1.435 1.00 12.32 O ATOM 1050 CB ALA A 66 -7.199 -9.237 0.723 1.00 73.53 C ATOM 0 H ALA A 66 -5.650 -8.079 2.243 1.00 54.13 H new ATOM 0 HA ALA A 66 -6.222 -7.777 -0.496 1.00 51.45 H new ATOM 0 HB1 ALA A 66 -7.906 -9.533 -0.052 1.00 73.53 H new ATOM 0 HB2 ALA A 66 -6.342 -9.910 0.708 1.00 73.53 H new ATOM 0 HB3 ALA A 66 -7.686 -9.291 1.697 1.00 73.53 H new ATOM 1056 N THR A 67 -8.313 -6.488 -0.809 1.00 33.21 N ATOM 1057 CA THR A 67 -9.439 -5.583 -1.004 1.00 71.54 C ATOM 1058 C THR A 67 -10.497 -6.209 -1.907 1.00 3.33 C ATOM 1059 O THR A 67 -10.173 -6.870 -2.893 1.00 70.52 O ATOM 1060 CB THR A 67 -8.984 -4.245 -1.616 1.00 75.15 C ATOM 1061 OG1 THR A 67 -7.579 -4.283 -1.887 1.00 41.44 O ATOM 1062 CG2 THR A 67 -9.295 -3.088 -0.679 1.00 24.13 C ATOM 0 H THR A 67 -7.865 -6.795 -1.672 1.00 33.21 H new ATOM 0 HA THR A 67 -9.869 -5.396 -0.020 1.00 71.54 H new ATOM 0 HB THR A 67 -9.529 -4.093 -2.548 1.00 75.15 H new ATOM 0 HG1 THR A 67 -7.369 -5.082 -2.414 1.00 41.44 H new ATOM 0 HG21 THR A 67 -8.965 -2.154 -1.133 1.00 24.13 H new ATOM 0 HG22 THR A 67 -10.369 -3.044 -0.499 1.00 24.13 H new ATOM 0 HG23 THR A 67 -8.774 -3.236 0.267 1.00 24.13 H new ATOM 1070 N PHE A 68 -11.762 -5.995 -1.563 1.00 55.53 N ATOM 1071 CA PHE A 68 -12.869 -6.538 -2.343 1.00 4.21 C ATOM 1072 C PHE A 68 -13.894 -5.454 -2.661 1.00 11.42 C ATOM 1073 O PHE A 68 -14.558 -4.930 -1.766 1.00 15.02 O ATOM 1074 CB PHE A 68 -13.540 -7.684 -1.584 1.00 73.44 C ATOM 1075 CG PHE A 68 -14.850 -8.113 -2.182 1.00 50.52 C ATOM 1076 CD1 PHE A 68 -14.892 -8.726 -3.424 1.00 34.23 C ATOM 1077 CD2 PHE A 68 -16.039 -7.901 -1.503 1.00 1.22 C ATOM 1078 CE1 PHE A 68 -16.096 -9.122 -3.977 1.00 1.24 C ATOM 1079 CE2 PHE A 68 -17.245 -8.295 -2.050 1.00 52.44 C ATOM 1080 CZ PHE A 68 -17.274 -8.905 -3.289 1.00 41.43 C ATOM 0 H PHE A 68 -12.047 -5.450 -0.749 1.00 55.53 H new ATOM 0 HA PHE A 68 -12.467 -6.919 -3.282 1.00 4.21 H new ATOM 0 HB2 PHE A 68 -12.864 -8.538 -1.560 1.00 73.44 H new ATOM 0 HB3 PHE A 68 -13.704 -7.378 -0.551 1.00 73.44 H new ATOM 0 HD1 PHE A 68 -13.974 -8.896 -3.966 1.00 34.23 H new ATOM 0 HD2 PHE A 68 -16.023 -7.422 -0.535 1.00 1.22 H new ATOM 0 HE1 PHE A 68 -16.115 -9.600 -4.945 1.00 1.24 H new ATOM 0 HE2 PHE A 68 -18.164 -8.126 -1.509 1.00 52.44 H new ATOM 0 HZ PHE A 68 -18.216 -9.212 -3.719 1.00 41.43 H new ATOM 1090 N HIS A 69 -14.017 -5.121 -3.942 1.00 10.11 N ATOM 1091 CA HIS A 69 -14.961 -4.099 -4.379 1.00 54.21 C ATOM 1092 C HIS A 69 -16.319 -4.716 -4.701 1.00 50.14 C ATOM 1093 O HIS A 69 -16.398 -5.834 -5.208 1.00 74.44 O ATOM 1094 CB HIS A 69 -14.418 -3.364 -5.605 1.00 14.42 C ATOM 1095 CG HIS A 69 -13.176 -2.575 -5.328 1.00 44.23 C ATOM 1096 ND1 HIS A 69 -12.994 -1.279 -5.763 1.00 54.12 N ATOM 1097 CD2 HIS A 69 -12.049 -2.905 -4.655 1.00 21.13 C ATOM 1098 CE1 HIS A 69 -11.809 -0.847 -5.371 1.00 13.23 C ATOM 1099 NE2 HIS A 69 -11.216 -1.814 -4.696 1.00 24.44 N ATOM 0 H HIS A 69 -13.475 -5.544 -4.695 1.00 10.11 H new ATOM 0 HA HIS A 69 -15.089 -3.386 -3.565 1.00 54.21 H new ATOM 0 HB2 HIS A 69 -14.210 -4.090 -6.391 1.00 14.42 H new ATOM 0 HB3 HIS A 69 -15.187 -2.693 -5.987 1.00 14.42 H new ATOM 0 HD1 HIS A 69 -13.669 -0.738 -6.303 1.00 54.12 H new ATOM 0 HD2 HIS A 69 -11.843 -3.850 -4.175 1.00 21.13 H new ATOM 0 HE1 HIS A 69 -11.396 0.131 -5.569 1.00 13.23 H new ATOM 1107 N MET A 70 -17.384 -3.979 -4.403 1.00 32.30 N ATOM 1108 CA MET A 70 -18.738 -4.455 -4.662 1.00 14.44 C ATOM 1109 C MET A 70 -19.537 -3.420 -5.449 1.00 24.22 C ATOM 1110 O MET A 70 -19.564 -2.242 -5.094 1.00 53.31 O ATOM 1111 CB MET A 70 -19.451 -4.772 -3.345 1.00 44.23 C ATOM 1112 CG MET A 70 -20.933 -5.063 -3.511 1.00 72.25 C ATOM 1113 SD MET A 70 -21.510 -6.377 -2.419 1.00 4.31 S ATOM 1114 CE MET A 70 -21.514 -5.528 -0.842 1.00 14.31 C ATOM 0 H MET A 70 -17.336 -3.051 -3.982 1.00 32.30 H new ATOM 0 HA MET A 70 -18.668 -5.365 -5.258 1.00 14.44 H new ATOM 0 HB2 MET A 70 -18.970 -5.632 -2.879 1.00 44.23 H new ATOM 0 HB3 MET A 70 -19.329 -3.930 -2.663 1.00 44.23 H new ATOM 0 HG2 MET A 70 -21.502 -4.155 -3.312 1.00 72.25 H new ATOM 0 HG3 MET A 70 -21.131 -5.343 -4.546 1.00 72.25 H new ATOM 0 HE1 MET A 70 -21.849 -6.211 -0.062 1.00 14.31 H new ATOM 0 HE2 MET A 70 -20.506 -5.182 -0.613 1.00 14.31 H new ATOM 0 HE3 MET A 70 -22.189 -4.674 -0.890 1.00 14.31 H new ATOM 1124 N VAL A 71 -20.185 -3.869 -6.519 1.00 43.33 N ATOM 1125 CA VAL A 71 -20.984 -2.982 -7.356 1.00 51.12 C ATOM 1126 C VAL A 71 -22.401 -3.517 -7.527 1.00 33.01 C ATOM 1127 O VAL A 71 -22.618 -4.531 -8.191 1.00 10.22 O ATOM 1128 CB VAL A 71 -20.346 -2.796 -8.746 1.00 15.21 C ATOM 1129 CG1 VAL A 71 -21.136 -1.786 -9.565 1.00 1.12 C ATOM 1130 CG2 VAL A 71 -18.893 -2.366 -8.612 1.00 33.53 C ATOM 0 H VAL A 71 -20.172 -4.841 -6.827 1.00 43.33 H new ATOM 0 HA VAL A 71 -21.021 -2.017 -6.850 1.00 51.12 H new ATOM 0 HB VAL A 71 -20.371 -3.752 -9.269 1.00 15.21 H new ATOM 0 HG11 VAL A 71 -20.671 -1.667 -10.544 1.00 1.12 H new ATOM 0 HG12 VAL A 71 -22.159 -2.140 -9.690 1.00 1.12 H new ATOM 0 HG13 VAL A 71 -21.145 -0.826 -9.049 1.00 1.12 H new ATOM 0 HG21 VAL A 71 -18.458 -2.239 -9.603 1.00 33.53 H new ATOM 0 HG22 VAL A 71 -18.842 -1.422 -8.070 1.00 33.53 H new ATOM 0 HG23 VAL A 71 -18.337 -3.128 -8.067 1.00 33.53 H new ATOM 1140 N VAL A 72 -23.365 -2.828 -6.923 1.00 62.41 N ATOM 1141 CA VAL A 72 -24.763 -3.233 -7.009 1.00 61.13 C ATOM 1142 C VAL A 72 -25.464 -2.543 -8.174 1.00 0.11 C ATOM 1143 O VAL A 72 -25.793 -1.359 -8.100 1.00 71.42 O ATOM 1144 CB VAL A 72 -25.521 -2.915 -5.707 1.00 3.33 C ATOM 1145 CG1 VAL A 72 -26.705 -3.853 -5.535 1.00 32.41 C ATOM 1146 CG2 VAL A 72 -24.584 -3.001 -4.511 1.00 41.23 C ATOM 0 H VAL A 72 -23.203 -1.987 -6.369 1.00 62.41 H new ATOM 0 HA VAL A 72 -24.771 -4.311 -7.171 1.00 61.13 H new ATOM 0 HB VAL A 72 -25.902 -1.896 -5.769 1.00 3.33 H new ATOM 0 HG11 VAL A 72 -27.228 -3.613 -4.609 1.00 32.41 H new ATOM 0 HG12 VAL A 72 -27.387 -3.737 -6.378 1.00 32.41 H new ATOM 0 HG13 VAL A 72 -26.350 -4.883 -5.494 1.00 32.41 H new ATOM 0 HG21 VAL A 72 -25.136 -2.773 -3.599 1.00 41.23 H new ATOM 0 HG22 VAL A 72 -24.171 -4.008 -4.444 1.00 41.23 H new ATOM 0 HG23 VAL A 72 -23.772 -2.284 -4.632 1.00 41.23 H new