USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 633 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= -0.332 (180deg=-5.19!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.816 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -163:sc= -0.0243 (180deg=-0.246) USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0369) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) 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 -54:sc= 0.923 USER MOD Single : A 17 SER OG : rot -67:sc= 0.516 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0406 USER MOD Single : A 22 ASN : amide:sc= -0.344 K(o=-0.34,f=-3!) USER MOD Single : A 23 THR OG1 : rot 168:sc= 1.12 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -2.67 K(o=-2.7,f=-1.1) USER MOD Single : A 41 MET CE :methyl 149:sc= -0.0381 (180deg=-0.24) USER MOD Single : A 46 TYR OH : rot 85:sc= 0.566 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= -0.0583 (180deg=-0.366) USER MOD Single : A 50 GLN : amide:sc= -0.17 K(o=-0.17,f=-1) USER MOD Single : A 55 LYS NZ :NH3+ -179:sc=0.000278 (180deg=0.000273) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -39:sc= 0.279 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -100:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -5.09! C(o=-5.1!,f=-5.9!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.162 0.053 -0.060 1.00 33.41 N ATOM 2 CA MET A 1 1.929 0.060 -1.300 1.00 21.51 C ATOM 3 C MET A 1 1.289 -0.854 -2.340 1.00 63.23 C ATOM 4 O MET A 1 0.789 -0.390 -3.365 1.00 54.34 O ATOM 5 CB MET A 1 3.370 -0.380 -1.035 1.00 63.23 C ATOM 6 CG MET A 1 4.360 0.126 -2.072 1.00 2.33 C ATOM 7 SD MET A 1 5.847 0.826 -1.329 1.00 14.33 S ATOM 8 CE MET A 1 6.729 -0.663 -0.869 1.00 31.10 C ATOM 0 H1 MET A 1 0.803 1.010 0.132 1.00 33.41 H new ATOM 0 H2 MET A 1 0.362 -0.605 -0.150 1.00 33.41 H new ATOM 0 H3 MET A 1 1.773 -0.251 0.725 1.00 33.41 H new ATOM 0 HA MET A 1 1.933 1.078 -1.690 1.00 21.51 H new ATOM 0 HB2 MET A 1 3.674 -0.025 -0.050 1.00 63.23 H new ATOM 0 HB3 MET A 1 3.410 -1.469 -1.008 1.00 63.23 H new ATOM 0 HG2 MET A 1 4.640 -0.695 -2.732 1.00 2.33 H new ATOM 0 HG3 MET A 1 3.877 0.882 -2.691 1.00 2.33 H new ATOM 0 HE1 MET A 1 7.673 -0.395 -0.395 1.00 31.10 H new ATOM 0 HE2 MET A 1 6.125 -1.243 -0.171 1.00 31.10 H new ATOM 0 HE3 MET A 1 6.926 -1.259 -1.760 1.00 31.10 H new ATOM 18 N LEU A 2 1.309 -2.155 -2.071 1.00 2.10 N ATOM 19 CA LEU A 2 0.731 -3.134 -2.984 1.00 71.34 C ATOM 20 C LEU A 2 -0.575 -3.692 -2.429 1.00 34.32 C ATOM 21 O LEU A 2 -0.616 -4.214 -1.314 1.00 24.13 O ATOM 22 CB LEU A 2 1.720 -4.274 -3.235 1.00 1.05 C ATOM 23 CG LEU A 2 1.157 -5.510 -3.937 1.00 52.32 C ATOM 24 CD1 LEU A 2 2.023 -5.887 -5.129 1.00 31.52 C ATOM 25 CD2 LEU A 2 1.049 -6.674 -2.963 1.00 71.15 C ATOM 0 H LEU A 2 1.719 -2.556 -1.228 1.00 2.10 H new ATOM 0 HA LEU A 2 0.518 -2.632 -3.928 1.00 71.34 H new ATOM 0 HB2 LEU A 2 2.546 -3.887 -3.832 1.00 1.05 H new ATOM 0 HB3 LEU A 2 2.137 -4.584 -2.277 1.00 1.05 H new ATOM 0 HG LEU A 2 0.157 -5.274 -4.301 1.00 52.32 H new ATOM 0 HD11 LEU A 2 1.607 -6.769 -5.616 1.00 31.52 H new ATOM 0 HD12 LEU A 2 2.048 -5.059 -5.837 1.00 31.52 H new ATOM 0 HD13 LEU A 2 3.036 -6.104 -4.789 1.00 31.52 H new ATOM 0 HD21 LEU A 2 0.646 -7.545 -3.480 1.00 71.15 H new ATOM 0 HD22 LEU A 2 2.037 -6.911 -2.568 1.00 71.15 H new ATOM 0 HD23 LEU A 2 0.386 -6.401 -2.142 1.00 71.15 H new ATOM 37 N LEU A 3 -1.641 -3.581 -3.214 1.00 14.05 N ATOM 38 CA LEU A 3 -2.950 -4.077 -2.801 1.00 51.43 C ATOM 39 C LEU A 3 -3.660 -4.770 -3.960 1.00 44.30 C ATOM 40 O LEU A 3 -3.478 -4.404 -5.122 1.00 32.14 O ATOM 41 CB LEU A 3 -3.811 -2.926 -2.276 1.00 63.21 C ATOM 42 CG LEU A 3 -4.616 -2.158 -3.324 1.00 53.24 C ATOM 43 CD1 LEU A 3 -5.595 -1.207 -2.654 1.00 13.24 C ATOM 44 CD2 LEU A 3 -3.687 -1.398 -4.259 1.00 41.53 C ATOM 0 H LEU A 3 -1.625 -3.152 -4.139 1.00 14.05 H new ATOM 0 HA LEU A 3 -2.800 -4.804 -2.003 1.00 51.43 H new ATOM 0 HB2 LEU A 3 -4.504 -3.326 -1.536 1.00 63.21 H new ATOM 0 HB3 LEU A 3 -3.162 -2.221 -1.757 1.00 63.21 H new ATOM 0 HG LEU A 3 -5.185 -2.876 -3.914 1.00 53.24 H new ATOM 0 HD11 LEU A 3 -6.159 -0.669 -3.416 1.00 13.24 H new ATOM 0 HD12 LEU A 3 -6.282 -1.775 -2.027 1.00 13.24 H new ATOM 0 HD13 LEU A 3 -5.046 -0.494 -2.038 1.00 13.24 H new ATOM 0 HD21 LEU A 3 -4.278 -0.857 -4.998 1.00 41.53 H new ATOM 0 HD22 LEU A 3 -3.090 -0.690 -3.683 1.00 41.53 H new ATOM 0 HD23 LEU A 3 -3.026 -2.101 -4.766 1.00 41.53 H new ATOM 56 N LYS A 4 -4.470 -5.771 -3.636 1.00 74.44 N ATOM 57 CA LYS A 4 -5.211 -6.514 -4.649 1.00 32.52 C ATOM 58 C LYS A 4 -6.705 -6.219 -4.557 1.00 3.23 C ATOM 59 O LYS A 4 -7.369 -6.620 -3.601 1.00 75.34 O ATOM 60 CB LYS A 4 -4.967 -8.017 -4.489 1.00 11.22 C ATOM 61 CG LYS A 4 -5.895 -8.877 -5.329 1.00 14.32 C ATOM 62 CD LYS A 4 -6.912 -9.606 -4.467 1.00 15.32 C ATOM 63 CE LYS A 4 -6.296 -10.814 -3.779 1.00 31.02 C ATOM 64 NZ LYS A 4 -5.981 -11.902 -4.746 1.00 33.04 N ATOM 0 H LYS A 4 -4.631 -6.087 -2.680 1.00 74.44 H new ATOM 0 HA LYS A 4 -4.855 -6.196 -5.629 1.00 32.52 H new ATOM 0 HB2 LYS A 4 -3.935 -8.240 -4.760 1.00 11.22 H new ATOM 0 HB3 LYS A 4 -5.087 -8.286 -3.440 1.00 11.22 H new ATOM 0 HG2 LYS A 4 -6.414 -8.252 -6.055 1.00 14.32 H new ATOM 0 HG3 LYS A 4 -5.309 -9.602 -5.894 1.00 14.32 H new ATOM 0 HD2 LYS A 4 -7.311 -8.923 -3.717 1.00 15.32 H new ATOM 0 HD3 LYS A 4 -7.751 -9.926 -5.085 1.00 15.32 H new ATOM 0 HE2 LYS A 4 -5.385 -10.512 -3.262 1.00 31.02 H new ATOM 0 HE3 LYS A 4 -6.983 -11.190 -3.021 1.00 31.02 H new ATOM 0 HZ1 LYS A 4 -5.839 -12.794 -4.231 1.00 33.04 H new ATOM 0 HZ2 LYS A 4 -6.769 -12.010 -5.416 1.00 33.04 H new ATOM 0 HZ3 LYS A 4 -5.114 -11.662 -5.268 1.00 33.04 H new ATOM 78 N VAL A 5 -7.227 -5.515 -5.556 1.00 60.34 N ATOM 79 CA VAL A 5 -8.643 -5.168 -5.589 1.00 63.32 C ATOM 80 C VAL A 5 -9.411 -6.085 -6.534 1.00 54.01 C ATOM 81 O VAL A 5 -9.049 -6.238 -7.701 1.00 0.32 O ATOM 82 CB VAL A 5 -8.852 -3.706 -6.026 1.00 73.33 C ATOM 83 CG1 VAL A 5 -8.230 -2.753 -5.018 1.00 2.22 C ATOM 84 CG2 VAL A 5 -8.275 -3.478 -7.415 1.00 40.10 C ATOM 0 H VAL A 5 -6.691 -5.174 -6.354 1.00 60.34 H new ATOM 0 HA VAL A 5 -9.024 -5.294 -4.576 1.00 63.32 H new ATOM 0 HB VAL A 5 -9.923 -3.506 -6.065 1.00 73.33 H new ATOM 0 HG11 VAL A 5 -8.388 -1.725 -5.344 1.00 2.22 H new ATOM 0 HG12 VAL A 5 -8.695 -2.900 -4.043 1.00 2.22 H new ATOM 0 HG13 VAL A 5 -7.161 -2.950 -4.943 1.00 2.22 H new ATOM 0 HG21 VAL A 5 -8.431 -2.440 -7.708 1.00 40.10 H new ATOM 0 HG22 VAL A 5 -7.207 -3.695 -7.405 1.00 40.10 H new ATOM 0 HG23 VAL A 5 -8.773 -4.135 -8.128 1.00 40.10 H new ATOM 94 N LYS A 6 -10.476 -6.694 -6.023 1.00 52.30 N ATOM 95 CA LYS A 6 -11.299 -7.595 -6.821 1.00 12.13 C ATOM 96 C LYS A 6 -12.770 -7.195 -6.750 1.00 45.12 C ATOM 97 O LYS A 6 -13.353 -7.123 -5.668 1.00 54.02 O ATOM 98 CB LYS A 6 -11.128 -9.037 -6.338 1.00 13.14 C ATOM 99 CG LYS A 6 -11.362 -9.211 -4.847 1.00 13.31 C ATOM 100 CD LYS A 6 -10.245 -10.010 -4.197 1.00 13.45 C ATOM 101 CE LYS A 6 -10.786 -10.981 -3.159 1.00 32.13 C ATOM 102 NZ LYS A 6 -9.745 -11.371 -2.168 1.00 11.32 N ATOM 0 H LYS A 6 -10.789 -6.580 -5.059 1.00 52.30 H new ATOM 0 HA LYS A 6 -10.971 -7.524 -7.858 1.00 12.13 H new ATOM 0 HB2 LYS A 6 -11.820 -9.678 -6.883 1.00 13.14 H new ATOM 0 HB3 LYS A 6 -10.121 -9.376 -6.581 1.00 13.14 H new ATOM 0 HG2 LYS A 6 -11.434 -8.232 -4.372 1.00 13.31 H new ATOM 0 HG3 LYS A 6 -12.314 -9.716 -4.684 1.00 13.31 H new ATOM 0 HD2 LYS A 6 -9.698 -10.561 -4.962 1.00 13.45 H new ATOM 0 HD3 LYS A 6 -9.536 -9.329 -3.726 1.00 13.45 H new ATOM 0 HE2 LYS A 6 -11.629 -10.525 -2.640 1.00 32.13 H new ATOM 0 HE3 LYS A 6 -11.164 -11.873 -3.658 1.00 32.13 H new ATOM 0 HZ1 LYS A 6 -10.174 -11.965 -1.430 1.00 11.32 H new ATOM 0 HZ2 LYS A 6 -8.991 -11.904 -2.648 1.00 11.32 H new ATOM 0 HZ3 LYS A 6 -9.342 -10.516 -1.733 1.00 11.32 H new ATOM 116 N THR A 7 -13.364 -6.936 -7.911 1.00 33.52 N ATOM 117 CA THR A 7 -14.766 -6.544 -7.981 1.00 32.35 C ATOM 118 C THR A 7 -15.677 -7.766 -8.034 1.00 42.45 C ATOM 119 O THR A 7 -15.211 -8.893 -8.204 1.00 53.40 O ATOM 120 CB THR A 7 -15.041 -5.658 -9.210 1.00 72.32 C ATOM 121 OG1 THR A 7 -15.033 -6.455 -10.400 1.00 24.21 O ATOM 122 CG2 THR A 7 -14.001 -4.555 -9.325 1.00 42.55 C ATOM 0 H THR A 7 -12.896 -6.991 -8.815 1.00 33.52 H new ATOM 0 HA THR A 7 -14.980 -5.974 -7.077 1.00 32.35 H new ATOM 0 HB THR A 7 -16.022 -5.199 -9.088 1.00 72.32 H new ATOM 0 HG1 THR A 7 -15.210 -5.885 -11.177 1.00 24.21 H new ATOM 0 HG21 THR A 7 -14.216 -3.942 -10.200 1.00 42.55 H new ATOM 0 HG22 THR A 7 -14.030 -3.933 -8.430 1.00 42.55 H new ATOM 0 HG23 THR A 7 -13.010 -4.998 -9.427 1.00 42.55 H new ATOM 130 N VAL A 8 -16.978 -7.535 -7.890 1.00 1.12 N ATOM 131 CA VAL A 8 -17.955 -8.617 -7.924 1.00 4.10 C ATOM 132 C VAL A 8 -18.021 -9.254 -9.308 1.00 13.54 C ATOM 133 O VAL A 8 -18.622 -10.313 -9.486 1.00 51.14 O ATOM 134 CB VAL A 8 -19.358 -8.118 -7.532 1.00 73.41 C ATOM 135 CG1 VAL A 8 -19.915 -7.193 -8.604 1.00 30.35 C ATOM 136 CG2 VAL A 8 -20.293 -9.294 -7.293 1.00 73.30 C ATOM 0 H VAL A 8 -17.380 -6.608 -7.749 1.00 1.12 H new ATOM 0 HA VAL A 8 -17.628 -9.363 -7.200 1.00 4.10 H new ATOM 0 HB VAL A 8 -19.278 -7.552 -6.604 1.00 73.41 H new ATOM 0 HG11 VAL A 8 -20.907 -6.851 -8.309 1.00 30.35 H new ATOM 0 HG12 VAL A 8 -19.255 -6.334 -8.722 1.00 30.35 H new ATOM 0 HG13 VAL A 8 -19.983 -7.731 -9.549 1.00 30.35 H new ATOM 0 HG21 VAL A 8 -21.280 -8.924 -7.017 1.00 73.30 H new ATOM 0 HG22 VAL A 8 -20.370 -9.888 -8.203 1.00 73.30 H new ATOM 0 HG23 VAL A 8 -19.900 -9.914 -6.487 1.00 73.30 H new ATOM 146 N SER A 9 -17.400 -8.600 -10.284 1.00 64.41 N ATOM 147 CA SER A 9 -17.391 -9.101 -11.654 1.00 2.23 C ATOM 148 C SER A 9 -16.218 -10.051 -11.878 1.00 0.45 C ATOM 149 O SER A 9 -15.898 -10.403 -13.012 1.00 54.00 O ATOM 150 CB SER A 9 -17.315 -7.937 -12.644 1.00 34.01 C ATOM 151 OG SER A 9 -18.606 -7.570 -13.098 1.00 54.34 O ATOM 0 H SER A 9 -16.897 -7.723 -10.152 1.00 64.41 H new ATOM 0 HA SER A 9 -18.318 -9.651 -11.820 1.00 2.23 H new ATOM 0 HB2 SER A 9 -16.836 -7.081 -12.168 1.00 34.01 H new ATOM 0 HB3 SER A 9 -16.693 -8.218 -13.494 1.00 34.01 H new ATOM 0 HG SER A 9 -18.531 -6.823 -13.728 1.00 54.34 H new ATOM 157 N ASN A 10 -15.580 -10.461 -10.786 1.00 14.01 N ATOM 158 CA ASN A 10 -14.442 -11.370 -10.862 1.00 12.43 C ATOM 159 C ASN A 10 -13.250 -10.693 -11.532 1.00 21.24 C ATOM 160 O ASN A 10 -12.499 -11.326 -12.275 1.00 35.03 O ATOM 161 CB ASN A 10 -14.824 -12.635 -11.632 1.00 62.30 C ATOM 162 CG ASN A 10 -14.373 -13.900 -10.926 1.00 53.41 C ATOM 163 OD1 ASN A 10 -13.456 -14.584 -11.380 1.00 0.11 O ATOM 164 ND2 ASN A 10 -15.019 -14.216 -9.809 1.00 43.44 N ATOM 0 H ASN A 10 -15.832 -10.178 -9.839 1.00 14.01 H new ATOM 0 HA ASN A 10 -14.158 -11.644 -9.846 1.00 12.43 H new ATOM 0 HB2 ASN A 10 -15.905 -12.663 -11.766 1.00 62.30 H new ATOM 0 HB3 ASN A 10 -14.380 -12.599 -12.627 1.00 62.30 H new ATOM 0 HD21 ASN A 10 -14.761 -15.056 -9.291 1.00 43.44 H new ATOM 0 HD22 ASN A 10 -15.773 -13.619 -9.470 1.00 43.44 H new ATOM 171 N LYS A 11 -13.081 -9.403 -11.263 1.00 1.01 N ATOM 172 CA LYS A 11 -11.979 -8.639 -11.837 1.00 34.31 C ATOM 173 C LYS A 11 -10.944 -8.294 -10.772 1.00 3.43 C ATOM 174 O LYS A 11 -11.034 -7.254 -10.118 1.00 64.05 O ATOM 175 CB LYS A 11 -12.505 -7.358 -12.488 1.00 2.45 C ATOM 176 CG LYS A 11 -13.267 -7.599 -13.779 1.00 30.42 C ATOM 177 CD LYS A 11 -13.542 -6.299 -14.516 1.00 21.32 C ATOM 178 CE LYS A 11 -14.478 -6.514 -15.696 1.00 24.55 C ATOM 179 NZ LYS A 11 -14.220 -5.541 -16.793 1.00 24.32 N ATOM 0 H LYS A 11 -13.693 -8.864 -10.651 1.00 1.01 H new ATOM 0 HA LYS A 11 -11.499 -9.255 -12.598 1.00 34.31 H new ATOM 0 HB2 LYS A 11 -13.157 -6.843 -11.782 1.00 2.45 H new ATOM 0 HB3 LYS A 11 -11.666 -6.693 -12.690 1.00 2.45 H new ATOM 0 HG2 LYS A 11 -12.694 -8.268 -14.421 1.00 30.42 H new ATOM 0 HG3 LYS A 11 -14.210 -8.099 -13.558 1.00 30.42 H new ATOM 0 HD2 LYS A 11 -13.981 -5.576 -13.829 1.00 21.32 H new ATOM 0 HD3 LYS A 11 -12.602 -5.874 -14.868 1.00 21.32 H new ATOM 0 HE2 LYS A 11 -14.357 -7.529 -16.075 1.00 24.55 H new ATOM 0 HE3 LYS A 11 -15.511 -6.419 -15.362 1.00 24.55 H new ATOM 0 HZ1 LYS A 11 -14.878 -5.721 -17.578 1.00 24.32 H new ATOM 0 HZ2 LYS A 11 -14.360 -4.573 -16.439 1.00 24.32 H new ATOM 0 HZ3 LYS A 11 -13.242 -5.649 -17.130 1.00 24.32 H new ATOM 193 N VAL A 12 -9.960 -9.171 -10.603 1.00 23.24 N ATOM 194 CA VAL A 12 -8.905 -8.957 -9.619 1.00 33.35 C ATOM 195 C VAL A 12 -7.699 -8.268 -10.247 1.00 20.54 C ATOM 196 O VAL A 12 -7.262 -8.633 -11.338 1.00 70.54 O ATOM 197 CB VAL A 12 -8.452 -10.286 -8.984 1.00 43.43 C ATOM 198 CG1 VAL A 12 -7.450 -10.030 -7.868 1.00 73.03 C ATOM 199 CG2 VAL A 12 -9.651 -11.066 -8.467 1.00 40.34 C ATOM 0 H VAL A 12 -9.871 -10.037 -11.135 1.00 23.24 H new ATOM 0 HA VAL A 12 -9.321 -8.316 -8.842 1.00 33.35 H new ATOM 0 HB VAL A 12 -7.961 -10.886 -9.750 1.00 43.43 H new ATOM 0 HG11 VAL A 12 -7.141 -10.980 -7.431 1.00 73.03 H new ATOM 0 HG12 VAL A 12 -6.578 -9.516 -8.273 1.00 73.03 H new ATOM 0 HG13 VAL A 12 -7.912 -9.410 -7.099 1.00 73.03 H new ATOM 0 HG21 VAL A 12 -9.312 -12.002 -8.022 1.00 40.34 H new ATOM 0 HG22 VAL A 12 -10.173 -10.475 -7.715 1.00 40.34 H new ATOM 0 HG23 VAL A 12 -10.328 -11.282 -9.293 1.00 40.34 H new ATOM 209 N ILE A 13 -7.165 -7.271 -9.550 1.00 20.23 N ATOM 210 CA ILE A 13 -6.008 -6.532 -10.039 1.00 24.24 C ATOM 211 C ILE A 13 -4.975 -6.334 -8.934 1.00 70.31 C ATOM 212 O ILE A 13 -5.278 -5.772 -7.882 1.00 61.11 O ATOM 213 CB ILE A 13 -6.414 -5.156 -10.599 1.00 23.33 C ATOM 214 CG1 ILE A 13 -7.572 -5.305 -11.587 1.00 71.42 C ATOM 215 CG2 ILE A 13 -5.224 -4.484 -11.267 1.00 25.04 C ATOM 216 CD1 ILE A 13 -7.207 -6.081 -12.833 1.00 70.42 C ATOM 0 H ILE A 13 -7.515 -6.956 -8.645 1.00 20.23 H new ATOM 0 HA ILE A 13 -5.570 -7.126 -10.841 1.00 24.24 H new ATOM 0 HB ILE A 13 -6.745 -4.527 -9.773 1.00 23.33 H new ATOM 0 HG12 ILE A 13 -8.403 -5.804 -11.088 1.00 71.42 H new ATOM 0 HG13 ILE A 13 -7.923 -4.314 -11.876 1.00 71.42 H new ATOM 0 HG21 ILE A 13 -5.527 -3.513 -11.658 1.00 25.04 H new ATOM 0 HG22 ILE A 13 -4.426 -4.349 -10.537 1.00 25.04 H new ATOM 0 HG23 ILE A 13 -4.866 -5.109 -12.085 1.00 25.04 H new ATOM 0 HD11 ILE A 13 -8.076 -6.147 -13.488 1.00 70.42 H new ATOM 0 HD12 ILE A 13 -6.397 -5.571 -13.355 1.00 70.42 H new ATOM 0 HD13 ILE A 13 -6.885 -7.085 -12.555 1.00 70.42 H new ATOM 228 N GLN A 14 -3.755 -6.799 -9.182 1.00 43.33 N ATOM 229 CA GLN A 14 -2.677 -6.671 -8.209 1.00 22.54 C ATOM 230 C GLN A 14 -1.668 -5.615 -8.648 1.00 14.01 C ATOM 231 O GLN A 14 -1.000 -5.769 -9.671 1.00 2.35 O ATOM 232 CB GLN A 14 -1.973 -8.016 -8.016 1.00 74.13 C ATOM 233 CG GLN A 14 -1.437 -8.612 -9.308 1.00 24.24 C ATOM 234 CD GLN A 14 -1.963 -10.010 -9.568 1.00 40.34 C ATOM 235 OE1 GLN A 14 -2.890 -10.199 -10.357 1.00 24.42 O ATOM 236 NE2 GLN A 14 -1.373 -10.998 -8.906 1.00 11.11 N ATOM 0 H GLN A 14 -3.489 -7.268 -10.048 1.00 43.33 H new ATOM 0 HA GLN A 14 -3.114 -6.357 -7.261 1.00 22.54 H new ATOM 0 HB2 GLN A 14 -1.148 -7.888 -7.315 1.00 74.13 H new ATOM 0 HB3 GLN A 14 -2.670 -8.720 -7.562 1.00 74.13 H new ATOM 0 HG2 GLN A 14 -1.708 -7.965 -10.142 1.00 24.24 H new ATOM 0 HG3 GLN A 14 -0.348 -8.639 -9.267 1.00 24.24 H new ATOM 0 HE21 GLN A 14 -0.608 -10.795 -8.262 1.00 11.11 H new ATOM 0 HE22 GLN A 14 -1.684 -11.960 -9.041 1.00 11.11 H new ATOM 245 N ILE A 15 -1.565 -4.543 -7.869 1.00 64.43 N ATOM 246 CA ILE A 15 -0.637 -3.462 -8.178 1.00 71.22 C ATOM 247 C ILE A 15 0.412 -3.308 -7.082 1.00 41.04 C ATOM 248 O ILE A 15 0.174 -3.656 -5.925 1.00 50.12 O ATOM 249 CB ILE A 15 -1.375 -2.122 -8.359 1.00 64.34 C ATOM 250 CG1 ILE A 15 -1.765 -1.542 -6.998 1.00 43.25 C ATOM 251 CG2 ILE A 15 -2.605 -2.309 -9.234 1.00 73.20 C ATOM 252 CD1 ILE A 15 -2.663 -0.328 -7.094 1.00 63.32 C ATOM 0 H ILE A 15 -2.112 -4.400 -7.020 1.00 64.43 H new ATOM 0 HA ILE A 15 -0.145 -3.726 -9.114 1.00 71.22 H new ATOM 0 HB ILE A 15 -0.705 -1.419 -8.854 1.00 64.34 H new ATOM 0 HG12 ILE A 15 -2.270 -2.312 -6.415 1.00 43.25 H new ATOM 0 HG13 ILE A 15 -0.860 -1.272 -6.454 1.00 43.25 H new ATOM 0 HG21 ILE A 15 -3.116 -1.353 -9.353 1.00 73.20 H new ATOM 0 HG22 ILE A 15 -2.302 -2.683 -10.212 1.00 73.20 H new ATOM 0 HG23 ILE A 15 -3.280 -3.025 -8.765 1.00 73.20 H new ATOM 0 HD11 ILE A 15 -2.899 0.030 -6.092 1.00 63.32 H new ATOM 0 HD12 ILE A 15 -2.153 0.459 -7.650 1.00 63.32 H new ATOM 0 HD13 ILE A 15 -3.585 -0.597 -7.610 1.00 63.32 H new ATOM 264 N THR A 16 1.575 -2.782 -7.454 1.00 22.00 N ATOM 265 CA THR A 16 2.661 -2.580 -6.503 1.00 63.54 C ATOM 266 C THR A 16 3.126 -1.129 -6.499 1.00 51.40 C ATOM 267 O THR A 16 4.313 -0.846 -6.661 1.00 21.33 O ATOM 268 CB THR A 16 3.862 -3.491 -6.821 1.00 44.04 C ATOM 269 OG1 THR A 16 4.926 -3.240 -5.896 1.00 42.44 O ATOM 270 CG2 THR A 16 4.354 -3.261 -8.242 1.00 63.24 C ATOM 0 H THR A 16 1.789 -2.488 -8.407 1.00 22.00 H new ATOM 0 HA THR A 16 2.270 -2.836 -5.518 1.00 63.54 H new ATOM 0 HB THR A 16 3.538 -4.528 -6.729 1.00 44.04 H new ATOM 0 HG1 THR A 16 5.144 -2.284 -5.899 1.00 42.44 H new ATOM 0 HG21 THR A 16 5.202 -3.915 -8.444 1.00 63.24 H new ATOM 0 HG22 THR A 16 3.551 -3.481 -8.945 1.00 63.24 H new ATOM 0 HG23 THR A 16 4.662 -2.222 -8.357 1.00 63.24 H new ATOM 278 N SER A 17 2.183 -0.211 -6.312 1.00 53.13 N ATOM 279 CA SER A 17 2.496 1.213 -6.290 1.00 15.20 C ATOM 280 C SER A 17 1.286 2.028 -5.843 1.00 53.20 C ATOM 281 O SER A 17 0.500 2.498 -6.667 1.00 41.31 O ATOM 282 CB SER A 17 2.955 1.678 -7.673 1.00 72.24 C ATOM 283 OG SER A 17 2.765 3.073 -7.832 1.00 3.23 O ATOM 0 H SER A 17 1.196 -0.428 -6.174 1.00 53.13 H new ATOM 0 HA SER A 17 3.304 1.371 -5.575 1.00 15.20 H new ATOM 0 HB2 SER A 17 4.008 1.433 -7.811 1.00 72.24 H new ATOM 0 HB3 SER A 17 2.400 1.142 -8.443 1.00 72.24 H new ATOM 0 HG SER A 17 1.806 3.274 -7.839 1.00 3.23 H new ATOM 289 N LEU A 18 1.142 2.192 -4.533 1.00 21.34 N ATOM 290 CA LEU A 18 0.028 2.950 -3.974 1.00 2.03 C ATOM 291 C LEU A 18 0.499 4.303 -3.450 1.00 20.15 C ATOM 292 O LEU A 18 1.656 4.461 -3.058 1.00 11.41 O ATOM 293 CB LEU A 18 -0.639 2.158 -2.848 1.00 14.41 C ATOM 294 CG LEU A 18 -1.772 1.220 -3.267 1.00 42.31 C ATOM 295 CD1 LEU A 18 -2.304 0.455 -2.065 1.00 65.03 C ATOM 296 CD2 LEU A 18 -2.890 2.002 -3.941 1.00 61.13 C ATOM 0 H LEU A 18 1.783 1.810 -3.837 1.00 21.34 H new ATOM 0 HA LEU A 18 -0.698 3.122 -4.769 1.00 2.03 H new ATOM 0 HB2 LEU A 18 0.126 1.568 -2.343 1.00 14.41 H new ATOM 0 HB3 LEU A 18 -1.031 2.865 -2.117 1.00 14.41 H new ATOM 0 HG LEU A 18 -1.376 0.500 -3.983 1.00 42.31 H new ATOM 0 HD11 LEU A 18 -3.109 -0.207 -2.383 1.00 65.03 H new ATOM 0 HD12 LEU A 18 -1.501 -0.136 -1.625 1.00 65.03 H new ATOM 0 HD13 LEU A 18 -2.684 1.159 -1.325 1.00 65.03 H new ATOM 0 HD21 LEU A 18 -3.688 1.319 -4.232 1.00 61.13 H new ATOM 0 HD22 LEU A 18 -3.284 2.745 -3.247 1.00 61.13 H new ATOM 0 HD23 LEU A 18 -2.500 2.504 -4.827 1.00 61.13 H new ATOM 308 N THR A 19 -0.406 5.277 -3.443 1.00 21.22 N ATOM 309 CA THR A 19 -0.084 6.616 -2.966 1.00 32.22 C ATOM 310 C THR A 19 -0.232 6.711 -1.452 1.00 34.54 C ATOM 311 O THR A 19 -0.626 5.746 -0.795 1.00 43.04 O ATOM 312 CB THR A 19 -0.983 7.678 -3.626 1.00 12.43 C ATOM 313 OG1 THR A 19 -1.558 7.155 -4.828 1.00 53.22 O ATOM 314 CG2 THR A 19 -0.190 8.937 -3.943 1.00 0.12 C ATOM 0 H THR A 19 -1.368 5.163 -3.762 1.00 21.22 H new ATOM 0 HA THR A 19 0.954 6.808 -3.239 1.00 32.22 H new ATOM 0 HB THR A 19 -1.778 7.935 -2.926 1.00 12.43 H new ATOM 0 HG1 THR A 19 -2.134 7.834 -5.237 1.00 53.22 H new ATOM 0 HG21 THR A 19 -0.846 9.673 -4.409 1.00 0.12 H new ATOM 0 HG22 THR A 19 0.222 9.349 -3.022 1.00 0.12 H new ATOM 0 HG23 THR A 19 0.623 8.692 -4.626 1.00 0.12 H new ATOM 322 N ASP A 20 0.084 7.878 -0.903 1.00 1.21 N ATOM 323 CA ASP A 20 -0.016 8.099 0.535 1.00 2.31 C ATOM 324 C ASP A 20 -0.911 9.296 0.840 1.00 52.11 C ATOM 325 O ASP A 20 -1.073 9.684 1.997 1.00 0.21 O ATOM 326 CB ASP A 20 1.373 8.319 1.136 1.00 1.55 C ATOM 327 CG ASP A 20 2.294 9.080 0.203 1.00 63.10 C ATOM 328 OD1 ASP A 20 2.951 8.433 -0.640 1.00 52.22 O ATOM 329 OD2 ASP A 20 2.358 10.322 0.315 1.00 62.11 O ATOM 0 H ASP A 20 0.412 8.686 -1.432 1.00 1.21 H new ATOM 0 HA ASP A 20 -0.462 7.211 0.984 1.00 2.31 H new ATOM 0 HB2 ASP A 20 1.277 8.867 2.074 1.00 1.55 H new ATOM 0 HB3 ASP A 20 1.819 7.354 1.375 1.00 1.55 H new ATOM 334 N ASP A 21 -1.490 9.877 -0.205 1.00 45.14 N ATOM 335 CA ASP A 21 -2.369 11.030 -0.050 1.00 2.12 C ATOM 336 C ASP A 21 -3.831 10.598 -0.016 1.00 33.42 C ATOM 337 O ASP A 21 -4.579 10.975 0.885 1.00 74.11 O ATOM 338 CB ASP A 21 -2.145 12.026 -1.189 1.00 10.45 C ATOM 339 CG ASP A 21 -1.583 13.347 -0.700 1.00 64.13 C ATOM 340 OD1 ASP A 21 -0.554 13.328 0.007 1.00 63.14 O ATOM 341 OD2 ASP A 21 -2.172 14.399 -1.025 1.00 10.45 O ATOM 0 H ASP A 21 -1.366 9.568 -1.169 1.00 45.14 H new ATOM 0 HA ASP A 21 -2.130 11.513 0.897 1.00 2.12 H new ATOM 0 HB2 ASP A 21 -1.462 11.592 -1.919 1.00 10.45 H new ATOM 0 HB3 ASP A 21 -3.089 12.204 -1.703 1.00 10.45 H new ATOM 346 N ASN A 22 -4.232 9.804 -1.004 1.00 44.42 N ATOM 347 CA ASN A 22 -5.605 9.322 -1.088 1.00 73.23 C ATOM 348 C ASN A 22 -5.655 7.801 -0.982 1.00 61.41 C ATOM 349 O ASN A 22 -6.504 7.242 -0.286 1.00 41.51 O ATOM 350 CB ASN A 22 -6.247 9.774 -2.402 1.00 32.25 C ATOM 351 CG ASN A 22 -6.731 11.210 -2.344 1.00 73.22 C ATOM 352 OD1 ASN A 22 -7.845 11.484 -1.898 1.00 75.30 O ATOM 353 ND2 ASN A 22 -5.893 12.135 -2.797 1.00 73.14 N ATOM 0 H ASN A 22 -3.625 9.481 -1.757 1.00 44.42 H new ATOM 0 HA ASN A 22 -6.164 9.745 -0.253 1.00 73.23 H new ATOM 0 HB2 ASN A 22 -5.524 9.669 -3.211 1.00 32.25 H new ATOM 0 HB3 ASN A 22 -7.086 9.120 -2.637 1.00 32.25 H new ATOM 0 HD21 ASN A 22 -6.163 13.118 -2.784 1.00 73.14 H new ATOM 0 HD22 ASN A 22 -4.979 11.862 -3.158 1.00 73.14 H new ATOM 360 N THR A 23 -4.738 7.134 -1.677 1.00 53.01 N ATOM 361 CA THR A 23 -4.677 5.678 -1.662 1.00 32.00 C ATOM 362 C THR A 23 -5.966 5.068 -2.202 1.00 23.04 C ATOM 363 O THR A 23 -6.042 4.688 -3.371 1.00 4.35 O ATOM 364 CB THR A 23 -4.424 5.141 -0.241 1.00 13.05 C ATOM 365 OG1 THR A 23 -3.132 5.555 0.217 1.00 51.11 O ATOM 366 CG2 THR A 23 -4.516 3.623 -0.211 1.00 62.24 C ATOM 0 H THR A 23 -4.027 7.580 -2.257 1.00 53.01 H new ATOM 0 HA THR A 23 -3.845 5.390 -2.305 1.00 32.00 H new ATOM 0 HB THR A 23 -5.190 5.548 0.419 1.00 13.05 H new ATOM 0 HG1 THR A 23 -3.054 5.381 1.178 1.00 51.11 H new ATOM 0 HG21 THR A 23 -4.334 3.267 0.803 1.00 62.24 H new ATOM 0 HG22 THR A 23 -5.511 3.312 -0.531 1.00 62.24 H new ATOM 0 HG23 THR A 23 -3.770 3.200 -0.883 1.00 62.24 H new ATOM 374 N ILE A 24 -6.976 4.977 -1.344 1.00 15.41 N ATOM 375 CA ILE A 24 -8.263 4.415 -1.736 1.00 64.13 C ATOM 376 C ILE A 24 -9.026 5.371 -2.646 1.00 71.04 C ATOM 377 O ILE A 24 -9.523 4.977 -3.701 1.00 31.52 O ATOM 378 CB ILE A 24 -9.133 4.088 -0.508 1.00 44.50 C ATOM 379 CG1 ILE A 24 -8.371 3.177 0.456 1.00 4.02 C ATOM 380 CG2 ILE A 24 -10.438 3.437 -0.941 1.00 44.43 C ATOM 381 CD1 ILE A 24 -7.662 3.926 1.563 1.00 43.12 C ATOM 0 H ILE A 24 -6.928 5.285 -0.373 1.00 15.41 H new ATOM 0 HA ILE A 24 -8.052 3.493 -2.277 1.00 64.13 H new ATOM 0 HB ILE A 24 -9.368 5.018 0.010 1.00 44.50 H new ATOM 0 HG12 ILE A 24 -9.068 2.466 0.898 1.00 4.02 H new ATOM 0 HG13 ILE A 24 -7.639 2.598 -0.107 1.00 4.02 H new ATOM 0 HG21 ILE A 24 -11.042 3.212 -0.062 1.00 44.43 H new ATOM 0 HG22 ILE A 24 -10.986 4.118 -1.593 1.00 44.43 H new ATOM 0 HG23 ILE A 24 -10.223 2.514 -1.479 1.00 44.43 H new ATOM 0 HD11 ILE A 24 -7.143 3.217 2.208 1.00 43.12 H new ATOM 0 HD12 ILE A 24 -6.940 4.618 1.130 1.00 43.12 H new ATOM 0 HD13 ILE A 24 -8.392 4.484 2.150 1.00 43.12 H new ATOM 393 N ALA A 25 -9.114 6.631 -2.232 1.00 23.42 N ATOM 394 CA ALA A 25 -9.813 7.644 -3.011 1.00 51.54 C ATOM 395 C ALA A 25 -9.209 7.778 -4.405 1.00 55.33 C ATOM 396 O ALA A 25 -9.927 7.973 -5.386 1.00 11.33 O ATOM 397 CB ALA A 25 -9.779 8.983 -2.289 1.00 24.15 C ATOM 0 H ALA A 25 -8.709 6.974 -1.361 1.00 23.42 H new ATOM 0 HA ALA A 25 -10.851 7.329 -3.121 1.00 51.54 H new ATOM 0 HB1 ALA A 25 -10.305 9.730 -2.883 1.00 24.15 H new ATOM 0 HB2 ALA A 25 -10.263 8.885 -1.317 1.00 24.15 H new ATOM 0 HB3 ALA A 25 -8.744 9.294 -2.148 1.00 24.15 H new ATOM 403 N GLU A 26 -7.887 7.673 -4.485 1.00 64.11 N ATOM 404 CA GLU A 26 -7.188 7.784 -5.760 1.00 43.00 C ATOM 405 C GLU A 26 -7.493 6.585 -6.654 1.00 4.41 C ATOM 406 O GLU A 26 -7.681 6.730 -7.863 1.00 30.14 O ATOM 407 CB GLU A 26 -5.679 7.893 -5.532 1.00 4.12 C ATOM 408 CG GLU A 26 -4.868 7.913 -6.817 1.00 75.21 C ATOM 409 CD GLU A 26 -4.059 9.185 -6.977 1.00 24.22 C ATOM 410 OE1 GLU A 26 -3.419 9.608 -5.991 1.00 33.12 O ATOM 411 OE2 GLU A 26 -4.064 9.757 -8.087 1.00 30.14 O ATOM 0 H GLU A 26 -7.278 7.511 -3.683 1.00 64.11 H new ATOM 0 HA GLU A 26 -7.539 8.687 -6.260 1.00 43.00 H new ATOM 0 HB2 GLU A 26 -5.470 8.801 -4.967 1.00 4.12 H new ATOM 0 HB3 GLU A 26 -5.351 7.054 -4.919 1.00 4.12 H new ATOM 0 HG2 GLU A 26 -4.196 7.055 -6.831 1.00 75.21 H new ATOM 0 HG3 GLU A 26 -5.540 7.805 -7.668 1.00 75.21 H new ATOM 418 N LEU A 27 -7.539 5.402 -6.051 1.00 41.45 N ATOM 419 CA LEU A 27 -7.820 4.177 -6.792 1.00 13.32 C ATOM 420 C LEU A 27 -9.247 4.183 -7.332 1.00 43.01 C ATOM 421 O LEU A 27 -9.477 3.917 -8.512 1.00 64.00 O ATOM 422 CB LEU A 27 -7.607 2.956 -5.896 1.00 11.14 C ATOM 423 CG LEU A 27 -6.525 1.974 -6.346 1.00 33.30 C ATOM 424 CD1 LEU A 27 -6.134 1.050 -5.203 1.00 4.31 C ATOM 425 CD2 LEU A 27 -7.003 1.168 -7.545 1.00 64.14 C ATOM 0 H LEU A 27 -7.386 5.265 -5.052 1.00 41.45 H new ATOM 0 HA LEU A 27 -7.132 4.125 -7.636 1.00 13.32 H new ATOM 0 HB2 LEU A 27 -7.359 3.305 -4.894 1.00 11.14 H new ATOM 0 HB3 LEU A 27 -8.551 2.416 -5.821 1.00 11.14 H new ATOM 0 HG LEU A 27 -5.645 2.544 -6.643 1.00 33.30 H new ATOM 0 HD11 LEU A 27 -5.363 0.358 -5.542 1.00 4.31 H new ATOM 0 HD12 LEU A 27 -5.751 1.642 -4.372 1.00 4.31 H new ATOM 0 HD13 LEU A 27 -7.008 0.487 -4.875 1.00 4.31 H new ATOM 0 HD21 LEU A 27 -6.221 0.474 -7.852 1.00 64.14 H new ATOM 0 HD22 LEU A 27 -7.898 0.609 -7.274 1.00 64.14 H new ATOM 0 HD23 LEU A 27 -7.233 1.843 -8.369 1.00 64.14 H new ATOM 437 N LYS A 28 -10.202 4.490 -6.461 1.00 53.15 N ATOM 438 CA LYS A 28 -11.607 4.535 -6.850 1.00 61.44 C ATOM 439 C LYS A 28 -11.858 5.655 -7.854 1.00 52.24 C ATOM 440 O LYS A 28 -12.622 5.491 -8.804 1.00 72.35 O ATOM 441 CB LYS A 28 -12.493 4.731 -5.618 1.00 44.41 C ATOM 442 CG LYS A 28 -12.276 6.063 -4.920 1.00 30.33 C ATOM 443 CD LYS A 28 -13.085 6.158 -3.637 1.00 72.21 C ATOM 444 CE LYS A 28 -14.580 6.125 -3.917 1.00 62.22 C ATOM 445 NZ LYS A 28 -15.208 4.867 -3.427 1.00 14.25 N ATOM 0 H LYS A 28 -10.029 4.711 -5.481 1.00 53.15 H new ATOM 0 HA LYS A 28 -11.858 3.585 -7.322 1.00 61.44 H new ATOM 0 HB2 LYS A 28 -13.538 4.652 -5.916 1.00 44.41 H new ATOM 0 HB3 LYS A 28 -12.302 3.924 -4.911 1.00 44.41 H new ATOM 0 HG2 LYS A 28 -11.217 6.188 -4.694 1.00 30.33 H new ATOM 0 HG3 LYS A 28 -12.557 6.876 -5.590 1.00 30.33 H new ATOM 0 HD2 LYS A 28 -12.819 5.333 -2.976 1.00 72.21 H new ATOM 0 HD3 LYS A 28 -12.832 7.080 -3.113 1.00 72.21 H new ATOM 0 HE2 LYS A 28 -15.058 6.980 -3.439 1.00 62.22 H new ATOM 0 HE3 LYS A 28 -14.751 6.223 -4.989 1.00 62.22 H new ATOM 0 HZ1 LYS A 28 -16.227 4.883 -3.637 1.00 14.25 H new ATOM 0 HZ2 LYS A 28 -14.770 4.052 -3.902 1.00 14.25 H new ATOM 0 HZ3 LYS A 28 -15.067 4.786 -2.400 1.00 14.25 H new ATOM 459 N GLY A 29 -11.209 6.795 -7.638 1.00 25.15 N ATOM 460 CA GLY A 29 -11.374 7.925 -8.533 1.00 12.14 C ATOM 461 C GLY A 29 -10.793 7.665 -9.908 1.00 52.33 C ATOM 462 O GLY A 29 -11.309 8.158 -10.912 1.00 4.31 O ATOM 0 H GLY A 29 -10.571 6.956 -6.858 1.00 25.15 H new ATOM 0 HA2 GLY A 29 -12.435 8.157 -8.628 1.00 12.14 H new ATOM 0 HA3 GLY A 29 -10.893 8.802 -8.099 1.00 12.14 H new ATOM 466 N LYS A 30 -9.715 6.890 -9.957 1.00 33.23 N ATOM 467 CA LYS A 30 -9.062 6.565 -11.219 1.00 60.10 C ATOM 468 C LYS A 30 -9.866 5.528 -11.997 1.00 31.13 C ATOM 469 O LYS A 30 -9.947 5.583 -13.225 1.00 2.24 O ATOM 470 CB LYS A 30 -7.646 6.042 -10.965 1.00 14.05 C ATOM 471 CG LYS A 30 -6.598 7.138 -10.889 1.00 44.13 C ATOM 472 CD LYS A 30 -5.593 7.027 -12.024 1.00 3.13 C ATOM 473 CE LYS A 30 -4.442 6.100 -11.661 1.00 15.43 C ATOM 474 NZ LYS A 30 -4.360 4.932 -12.581 1.00 3.43 N ATOM 0 H LYS A 30 -9.275 6.475 -9.136 1.00 33.23 H new ATOM 0 HA LYS A 30 -9.005 7.476 -11.814 1.00 60.10 H new ATOM 0 HB2 LYS A 30 -7.638 5.478 -10.032 1.00 14.05 H new ATOM 0 HB3 LYS A 30 -7.376 5.347 -11.760 1.00 14.05 H new ATOM 0 HG2 LYS A 30 -7.085 8.112 -10.927 1.00 44.13 H new ATOM 0 HG3 LYS A 30 -6.077 7.079 -9.933 1.00 44.13 H new ATOM 0 HD2 LYS A 30 -6.093 6.655 -12.919 1.00 3.13 H new ATOM 0 HD3 LYS A 30 -5.203 8.016 -12.264 1.00 3.13 H new ATOM 0 HE2 LYS A 30 -3.504 6.655 -11.694 1.00 15.43 H new ATOM 0 HE3 LYS A 30 -4.568 5.748 -10.637 1.00 15.43 H new ATOM 0 HZ1 LYS A 30 -3.564 4.325 -12.301 1.00 3.43 H new ATOM 0 HZ2 LYS A 30 -5.245 4.388 -12.531 1.00 3.43 H new ATOM 0 HZ3 LYS A 30 -4.214 5.267 -13.555 1.00 3.43 H new ATOM 488 N LEU A 31 -10.460 4.584 -11.275 1.00 54.20 N ATOM 489 CA LEU A 31 -11.260 3.535 -11.898 1.00 33.15 C ATOM 490 C LEU A 31 -12.551 4.105 -12.476 1.00 14.21 C ATOM 491 O LEU A 31 -12.940 3.775 -13.596 1.00 24.43 O ATOM 492 CB LEU A 31 -11.584 2.441 -10.879 1.00 30.14 C ATOM 493 CG LEU A 31 -11.903 1.061 -11.454 1.00 62.43 C ATOM 494 CD1 LEU A 31 -11.761 -0.010 -10.384 1.00 15.05 C ATOM 495 CD2 LEU A 31 -13.303 1.041 -12.049 1.00 15.31 C ATOM 0 H LEU A 31 -10.403 4.523 -10.258 1.00 54.20 H new ATOM 0 HA LEU A 31 -10.678 3.104 -12.713 1.00 33.15 H new ATOM 0 HB2 LEU A 31 -10.737 2.343 -10.200 1.00 30.14 H new ATOM 0 HB3 LEU A 31 -12.435 2.769 -10.282 1.00 30.14 H new ATOM 0 HG LEU A 31 -11.189 0.847 -12.249 1.00 62.43 H new ATOM 0 HD11 LEU A 31 -11.992 -0.985 -10.812 1.00 15.05 H new ATOM 0 HD12 LEU A 31 -10.739 -0.013 -10.006 1.00 15.05 H new ATOM 0 HD13 LEU A 31 -12.450 0.199 -9.566 1.00 15.05 H new ATOM 0 HD21 LEU A 31 -13.512 0.051 -12.453 1.00 15.31 H new ATOM 0 HD22 LEU A 31 -14.031 1.278 -11.273 1.00 15.31 H new ATOM 0 HD23 LEU A 31 -13.370 1.780 -12.847 1.00 15.31 H new ATOM 507 N GLU A 32 -13.210 4.965 -11.705 1.00 72.11 N ATOM 508 CA GLU A 32 -14.457 5.582 -12.143 1.00 21.15 C ATOM 509 C GLU A 32 -14.209 6.552 -13.294 1.00 71.45 C ATOM 510 O GLU A 32 -14.997 6.625 -14.237 1.00 3.20 O ATOM 511 CB GLU A 32 -15.124 6.316 -10.978 1.00 14.31 C ATOM 512 CG GLU A 32 -14.233 7.360 -10.326 1.00 34.04 C ATOM 513 CD GLU A 32 -14.365 8.726 -10.971 1.00 73.45 C ATOM 514 OE1 GLU A 32 -15.141 8.851 -11.942 1.00 11.23 O ATOM 515 OE2 GLU A 32 -13.692 9.669 -10.506 1.00 32.13 O ATOM 0 H GLU A 32 -12.902 5.250 -10.775 1.00 72.11 H new ATOM 0 HA GLU A 32 -15.121 4.792 -12.494 1.00 21.15 H new ATOM 0 HB2 GLU A 32 -16.033 6.799 -11.337 1.00 14.31 H new ATOM 0 HB3 GLU A 32 -15.426 5.587 -10.226 1.00 14.31 H new ATOM 0 HG2 GLU A 32 -14.484 7.436 -9.268 1.00 34.04 H new ATOM 0 HG3 GLU A 32 -13.195 7.034 -10.385 1.00 34.04 H new ATOM 522 N GLU A 33 -13.109 7.294 -13.210 1.00 33.44 N ATOM 523 CA GLU A 33 -12.759 8.260 -14.244 1.00 64.30 C ATOM 524 C GLU A 33 -12.380 7.553 -15.542 1.00 43.14 C ATOM 525 O GLU A 33 -12.668 8.042 -16.635 1.00 3.23 O ATOM 526 CB GLU A 33 -11.602 9.144 -13.776 1.00 5.54 C ATOM 527 CG GLU A 33 -11.419 10.400 -14.611 1.00 45.23 C ATOM 528 CD GLU A 33 -10.177 11.182 -14.226 1.00 74.42 C ATOM 529 OE1 GLU A 33 -9.068 10.762 -14.618 1.00 1.33 O ATOM 530 OE2 GLU A 33 -10.315 12.211 -13.534 1.00 10.34 O ATOM 0 H GLU A 33 -12.446 7.244 -12.437 1.00 33.44 H new ATOM 0 HA GLU A 33 -13.632 8.885 -14.432 1.00 64.30 H new ATOM 0 HB2 GLU A 33 -11.771 9.430 -12.738 1.00 5.54 H new ATOM 0 HB3 GLU A 33 -10.680 8.564 -13.801 1.00 5.54 H new ATOM 0 HG2 GLU A 33 -11.359 10.126 -15.664 1.00 45.23 H new ATOM 0 HG3 GLU A 33 -12.295 11.038 -14.497 1.00 45.23 H new ATOM 537 N SER A 34 -11.731 6.400 -15.414 1.00 75.22 N ATOM 538 CA SER A 34 -11.309 5.627 -16.576 1.00 44.24 C ATOM 539 C SER A 34 -12.515 5.152 -17.381 1.00 3.20 C ATOM 540 O SER A 34 -12.533 5.250 -18.607 1.00 51.44 O ATOM 541 CB SER A 34 -10.468 4.426 -16.139 1.00 12.24 C ATOM 542 OG SER A 34 -10.007 3.691 -17.259 1.00 32.22 O ATOM 0 H SER A 34 -11.486 5.981 -14.517 1.00 75.22 H new ATOM 0 HA SER A 34 -10.703 6.274 -17.210 1.00 44.24 H new ATOM 0 HB2 SER A 34 -9.617 4.769 -15.550 1.00 12.24 H new ATOM 0 HB3 SER A 34 -11.062 3.778 -15.494 1.00 12.24 H new ATOM 0 HG SER A 34 -9.471 2.930 -16.953 1.00 32.22 H new ATOM 548 N GLU A 35 -13.520 4.637 -16.680 1.00 70.11 N ATOM 549 CA GLU A 35 -14.730 4.146 -17.329 1.00 61.41 C ATOM 550 C GLU A 35 -15.690 5.293 -17.629 1.00 74.33 C ATOM 551 O GLU A 35 -16.723 5.101 -18.270 1.00 32.43 O ATOM 552 CB GLU A 35 -15.422 3.104 -16.447 1.00 4.32 C ATOM 553 CG GLU A 35 -14.833 1.709 -16.576 1.00 53.34 C ATOM 554 CD GLU A 35 -15.464 0.912 -17.702 1.00 11.43 C ATOM 555 OE1 GLU A 35 -16.708 0.916 -17.807 1.00 33.31 O ATOM 556 OE2 GLU A 35 -14.713 0.285 -18.478 1.00 5.45 O ATOM 0 H GLU A 35 -13.520 4.549 -15.664 1.00 70.11 H new ATOM 0 HA GLU A 35 -14.442 3.680 -18.271 1.00 61.41 H new ATOM 0 HB2 GLU A 35 -15.358 3.421 -15.406 1.00 4.32 H new ATOM 0 HB3 GLU A 35 -16.480 3.068 -16.705 1.00 4.32 H new ATOM 0 HG2 GLU A 35 -13.759 1.786 -16.748 1.00 53.34 H new ATOM 0 HG3 GLU A 35 -14.968 1.173 -15.636 1.00 53.34 H new ATOM 563 N GLY A 36 -15.342 6.487 -17.161 1.00 4.24 N ATOM 564 CA GLY A 36 -16.183 7.648 -17.388 1.00 22.33 C ATOM 565 C GLY A 36 -17.176 7.872 -16.265 1.00 55.22 C ATOM 566 O GLY A 36 -17.352 8.998 -15.799 1.00 53.32 O ATOM 0 H GLY A 36 -14.492 6.672 -16.628 1.00 4.24 H new ATOM 0 HA2 GLY A 36 -15.555 8.532 -17.496 1.00 22.33 H new ATOM 0 HA3 GLY A 36 -16.723 7.524 -18.327 1.00 22.33 H new ATOM 570 N ILE A 37 -17.829 6.799 -15.831 1.00 63.02 N ATOM 571 CA ILE A 37 -18.810 6.885 -14.757 1.00 72.21 C ATOM 572 C ILE A 37 -18.687 5.701 -13.804 1.00 72.31 C ATOM 573 O ILE A 37 -18.210 4.626 -14.168 1.00 73.35 O ATOM 574 CB ILE A 37 -20.247 6.937 -15.310 1.00 3.21 C ATOM 575 CG1 ILE A 37 -20.448 5.853 -16.371 1.00 41.51 C ATOM 576 CG2 ILE A 37 -20.542 8.313 -15.888 1.00 1.32 C ATOM 577 CD1 ILE A 37 -21.891 5.430 -16.536 1.00 24.30 C ATOM 0 H ILE A 37 -17.696 5.860 -16.207 1.00 63.02 H new ATOM 0 HA ILE A 37 -18.604 7.808 -14.215 1.00 72.21 H new ATOM 0 HB ILE A 37 -20.943 6.751 -14.492 1.00 3.21 H new ATOM 0 HG12 ILE A 37 -20.073 6.218 -17.327 1.00 41.51 H new ATOM 0 HG13 ILE A 37 -19.850 4.981 -16.106 1.00 41.51 H new ATOM 0 HG21 ILE A 37 -21.561 8.334 -16.275 1.00 1.32 H new ATOM 0 HG22 ILE A 37 -20.434 9.066 -15.108 1.00 1.32 H new ATOM 0 HG23 ILE A 37 -19.842 8.526 -16.696 1.00 1.32 H new ATOM 0 HD11 ILE A 37 -21.959 4.659 -17.304 1.00 24.30 H new ATOM 0 HD12 ILE A 37 -22.265 5.035 -15.591 1.00 24.30 H new ATOM 0 HD13 ILE A 37 -22.491 6.291 -16.832 1.00 24.30 H new ATOM 589 N PRO A 38 -19.129 5.899 -12.553 1.00 42.53 N ATOM 590 CA PRO A 38 -19.081 4.859 -11.522 1.00 71.42 C ATOM 591 C PRO A 38 -20.066 3.727 -11.795 1.00 31.03 C ATOM 592 O PRO A 38 -21.185 3.961 -12.248 1.00 54.03 O ATOM 593 CB PRO A 38 -19.467 5.607 -10.244 1.00 52.42 C ATOM 594 CG PRO A 38 -20.279 6.765 -10.714 1.00 31.21 C ATOM 595 CD PRO A 38 -19.709 7.156 -12.049 1.00 73.55 C ATOM 0 HA PRO A 38 -18.103 4.380 -11.472 1.00 71.42 H new ATOM 0 HB2 PRO A 38 -20.039 4.970 -9.570 1.00 52.42 H new ATOM 0 HB3 PRO A 38 -18.584 5.938 -9.697 1.00 52.42 H new ATOM 0 HG2 PRO A 38 -21.331 6.493 -10.803 1.00 31.21 H new ATOM 0 HG3 PRO A 38 -20.223 7.593 -10.008 1.00 31.21 H new ATOM 0 HD2 PRO A 38 -20.479 7.540 -12.718 1.00 73.55 H new ATOM 0 HD3 PRO A 38 -18.954 7.936 -11.951 1.00 73.55 H new ATOM 603 N GLY A 39 -19.642 2.498 -11.514 1.00 44.45 N ATOM 604 CA GLY A 39 -20.499 1.349 -11.736 1.00 31.22 C ATOM 605 C GLY A 39 -21.866 1.515 -11.103 1.00 33.12 C ATOM 606 O GLY A 39 -22.886 1.232 -11.730 1.00 33.14 O ATOM 0 H GLY A 39 -18.720 2.278 -11.137 1.00 44.45 H new ATOM 0 HA2 GLY A 39 -20.615 1.188 -12.808 1.00 31.22 H new ATOM 0 HA3 GLY A 39 -20.020 0.458 -11.330 1.00 31.22 H new ATOM 610 N ASN A 40 -21.887 1.974 -9.856 1.00 35.24 N ATOM 611 CA ASN A 40 -23.140 2.175 -9.136 1.00 72.23 C ATOM 612 C ASN A 40 -22.878 2.602 -7.695 1.00 64.53 C ATOM 613 O ASN A 40 -23.126 3.747 -7.322 1.00 1.53 O ATOM 614 CB ASN A 40 -23.975 0.893 -9.156 1.00 73.03 C ATOM 615 CG ASN A 40 -25.326 1.093 -9.817 1.00 24.00 C ATOM 616 OD1 ASN A 40 -26.232 1.690 -9.235 1.00 24.30 O ATOM 617 ND2 ASN A 40 -25.466 0.593 -11.039 1.00 60.11 N ATOM 0 H ASN A 40 -21.051 2.214 -9.323 1.00 35.24 H new ATOM 0 HA ASN A 40 -23.694 2.970 -9.636 1.00 72.23 H new ATOM 0 HB2 ASN A 40 -23.427 0.114 -9.685 1.00 73.03 H new ATOM 0 HB3 ASN A 40 -24.122 0.542 -8.134 1.00 73.03 H new ATOM 0 HD21 ASN A 40 -26.352 0.696 -11.534 1.00 60.11 H new ATOM 0 HD22 ASN A 40 -24.688 0.106 -11.483 1.00 60.11 H new ATOM 624 N MET A 41 -22.373 1.671 -6.891 1.00 53.41 N ATOM 625 CA MET A 41 -22.075 1.952 -5.491 1.00 71.24 C ATOM 626 C MET A 41 -20.573 2.111 -5.277 1.00 13.22 C ATOM 627 O MET A 41 -20.133 2.993 -4.539 1.00 2.11 O ATOM 628 CB MET A 41 -22.614 0.832 -4.599 1.00 4.13 C ATOM 629 CG MET A 41 -24.097 0.959 -4.293 1.00 74.25 C ATOM 630 SD MET A 41 -24.565 0.126 -2.764 1.00 74.13 S ATOM 631 CE MET A 41 -26.327 -0.077 -3.015 1.00 72.41 C ATOM 0 H MET A 41 -22.162 0.717 -7.185 1.00 53.41 H new ATOM 0 HA MET A 41 -22.563 2.888 -5.221 1.00 71.24 H new ATOM 0 HB2 MET A 41 -22.432 -0.127 -5.084 1.00 4.13 H new ATOM 0 HB3 MET A 41 -22.057 0.825 -3.662 1.00 4.13 H new ATOM 0 HG2 MET A 41 -24.360 2.014 -4.222 1.00 74.25 H new ATOM 0 HG3 MET A 41 -24.672 0.542 -5.120 1.00 74.25 H new ATOM 0 HE1 MET A 41 -26.664 -0.983 -2.511 1.00 72.41 H new ATOM 0 HE2 MET A 41 -26.854 0.784 -2.605 1.00 72.41 H new ATOM 0 HE3 MET A 41 -26.536 -0.157 -4.082 1.00 72.41 H new ATOM 641 N ILE A 42 -19.793 1.253 -5.925 1.00 52.23 N ATOM 642 CA ILE A 42 -18.341 1.300 -5.805 1.00 53.42 C ATOM 643 C ILE A 42 -17.910 1.300 -4.342 1.00 54.25 C ATOM 644 O ILE A 42 -17.164 2.176 -3.905 1.00 12.04 O ATOM 645 CB ILE A 42 -17.759 2.545 -6.500 1.00 51.41 C ATOM 646 CG1 ILE A 42 -18.402 2.736 -7.875 1.00 40.24 C ATOM 647 CG2 ILE A 42 -16.248 2.423 -6.628 1.00 71.41 C ATOM 648 CD1 ILE A 42 -18.212 1.554 -8.800 1.00 55.22 C ATOM 0 H ILE A 42 -20.142 0.517 -6.539 1.00 52.23 H new ATOM 0 HA ILE A 42 -17.955 0.406 -6.295 1.00 53.42 H new ATOM 0 HB ILE A 42 -17.983 3.421 -5.891 1.00 51.41 H new ATOM 0 HG12 ILE A 42 -19.469 2.918 -7.746 1.00 40.24 H new ATOM 0 HG13 ILE A 42 -17.981 3.625 -8.344 1.00 40.24 H new ATOM 0 HG21 ILE A 42 -15.852 3.311 -7.121 1.00 71.41 H new ATOM 0 HG22 ILE A 42 -15.805 2.331 -5.636 1.00 71.41 H new ATOM 0 HG23 ILE A 42 -16.003 1.540 -7.218 1.00 71.41 H new ATOM 0 HD11 ILE A 42 -18.694 1.759 -9.756 1.00 55.22 H new ATOM 0 HD12 ILE A 42 -17.147 1.384 -8.959 1.00 55.22 H new ATOM 0 HD13 ILE A 42 -18.658 0.666 -8.352 1.00 55.22 H new ATOM 660 N ARG A 43 -18.384 0.311 -3.592 1.00 20.01 N ATOM 661 CA ARG A 43 -18.047 0.196 -2.178 1.00 52.11 C ATOM 662 C ARG A 43 -17.282 -1.096 -1.905 1.00 15.24 C ATOM 663 O ARG A 43 -17.801 -2.193 -2.115 1.00 63.23 O ATOM 664 CB ARG A 43 -19.316 0.241 -1.324 1.00 61.35 C ATOM 665 CG ARG A 43 -20.043 1.574 -1.384 1.00 34.11 C ATOM 666 CD ARG A 43 -19.551 2.526 -0.305 1.00 33.43 C ATOM 667 NE ARG A 43 -20.646 3.277 0.303 1.00 52.21 N ATOM 668 CZ ARG A 43 -21.498 2.756 1.178 1.00 34.05 C ATOM 669 NH1 ARG A 43 -21.382 1.488 1.547 1.00 33.32 N ATOM 670 NH2 ARG A 43 -22.469 3.504 1.687 1.00 20.05 N ATOM 0 H ARG A 43 -19.002 -0.422 -3.939 1.00 20.01 H new ATOM 0 HA ARG A 43 -17.409 1.039 -1.912 1.00 52.11 H new ATOM 0 HB2 ARG A 43 -19.993 -0.548 -1.652 1.00 61.35 H new ATOM 0 HB3 ARG A 43 -19.054 0.026 -0.288 1.00 61.35 H new ATOM 0 HG2 ARG A 43 -19.895 2.026 -2.365 1.00 34.11 H new ATOM 0 HG3 ARG A 43 -21.114 1.411 -1.266 1.00 34.11 H new ATOM 0 HD2 ARG A 43 -19.027 1.961 0.466 1.00 33.43 H new ATOM 0 HD3 ARG A 43 -18.830 3.221 -0.736 1.00 33.43 H new ATOM 0 HE ARG A 43 -20.763 4.256 0.041 1.00 52.21 H new ATOM 0 HH11 ARG A 43 -20.637 0.910 1.159 1.00 33.32 H new ATOM 0 HH12 ARG A 43 -22.038 1.090 2.219 1.00 33.32 H new ATOM 0 HH21 ARG A 43 -22.561 4.480 1.406 1.00 20.05 H new ATOM 0 HH22 ARG A 43 -23.123 3.103 2.359 1.00 20.05 H new ATOM 684 N LEU A 44 -16.048 -0.958 -1.435 1.00 4.20 N ATOM 685 CA LEU A 44 -15.210 -2.114 -1.133 1.00 14.32 C ATOM 686 C LEU A 44 -15.108 -2.333 0.373 1.00 34.42 C ATOM 687 O LEU A 44 -15.293 -1.405 1.161 1.00 71.34 O ATOM 688 CB LEU A 44 -13.814 -1.926 -1.728 1.00 62.20 C ATOM 689 CG LEU A 44 -13.053 -0.679 -1.276 1.00 32.24 C ATOM 690 CD1 LEU A 44 -11.556 -0.947 -1.249 1.00 35.30 C ATOM 691 CD2 LEU A 44 -13.370 0.498 -2.186 1.00 41.31 C ATOM 0 H LEU A 44 -15.605 -0.057 -1.254 1.00 4.20 H new ATOM 0 HA LEU A 44 -15.673 -2.994 -1.579 1.00 14.32 H new ATOM 0 HB2 LEU A 44 -13.215 -2.802 -1.481 1.00 62.20 H new ATOM 0 HB3 LEU A 44 -13.905 -1.898 -2.814 1.00 62.20 H new ATOM 0 HG LEU A 44 -13.374 -0.428 -0.265 1.00 32.24 H new ATOM 0 HD11 LEU A 44 -11.031 -0.048 -0.925 1.00 35.30 H new ATOM 0 HD12 LEU A 44 -11.344 -1.761 -0.555 1.00 35.30 H new ATOM 0 HD13 LEU A 44 -11.218 -1.224 -2.247 1.00 35.30 H new ATOM 0 HD21 LEU A 44 -12.820 1.377 -1.849 1.00 41.31 H new ATOM 0 HD22 LEU A 44 -13.078 0.257 -3.208 1.00 41.31 H new ATOM 0 HD23 LEU A 44 -14.440 0.705 -2.153 1.00 41.31 H new ATOM 703 N VAL A 45 -14.811 -3.568 0.767 1.00 12.32 N ATOM 704 CA VAL A 45 -14.681 -3.909 2.179 1.00 71.13 C ATOM 705 C VAL A 45 -13.257 -4.340 2.511 1.00 41.02 C ATOM 706 O VAL A 45 -12.751 -5.321 1.966 1.00 70.41 O ATOM 707 CB VAL A 45 -15.653 -5.037 2.575 1.00 5.33 C ATOM 708 CG1 VAL A 45 -15.631 -5.255 4.080 1.00 34.15 C ATOM 709 CG2 VAL A 45 -17.060 -4.720 2.094 1.00 74.21 C ATOM 0 H VAL A 45 -14.656 -4.348 0.129 1.00 12.32 H new ATOM 0 HA VAL A 45 -14.927 -3.011 2.746 1.00 71.13 H new ATOM 0 HB VAL A 45 -15.329 -5.960 2.093 1.00 5.33 H new ATOM 0 HG11 VAL A 45 -16.323 -6.055 4.342 1.00 34.15 H new ATOM 0 HG12 VAL A 45 -14.624 -5.530 4.393 1.00 34.15 H new ATOM 0 HG13 VAL A 45 -15.930 -4.337 4.585 1.00 34.15 H new ATOM 0 HG21 VAL A 45 -17.734 -5.527 2.382 1.00 74.21 H new ATOM 0 HG22 VAL A 45 -17.397 -3.787 2.546 1.00 74.21 H new ATOM 0 HG23 VAL A 45 -17.059 -4.618 1.009 1.00 74.21 H new ATOM 719 N TYR A 46 -12.615 -3.600 3.408 1.00 32.33 N ATOM 720 CA TYR A 46 -11.248 -3.904 3.812 1.00 24.53 C ATOM 721 C TYR A 46 -11.222 -4.593 5.173 1.00 31.05 C ATOM 722 O TYR A 46 -11.608 -4.007 6.184 1.00 10.23 O ATOM 723 CB TYR A 46 -10.411 -2.625 3.860 1.00 51.21 C ATOM 724 CG TYR A 46 -9.018 -2.791 3.295 1.00 12.54 C ATOM 725 CD1 TYR A 46 -8.255 -3.912 3.595 1.00 30.33 C ATOM 726 CD2 TYR A 46 -8.465 -1.825 2.463 1.00 20.32 C ATOM 727 CE1 TYR A 46 -6.982 -4.068 3.082 1.00 3.15 C ATOM 728 CE2 TYR A 46 -7.193 -1.973 1.945 1.00 72.23 C ATOM 729 CZ TYR A 46 -6.455 -3.096 2.257 1.00 14.13 C ATOM 730 OH TYR A 46 -5.188 -3.246 1.744 1.00 64.30 O ATOM 0 H TYR A 46 -13.020 -2.785 3.869 1.00 32.33 H new ATOM 0 HA TYR A 46 -10.821 -4.582 3.073 1.00 24.53 H new ATOM 0 HB2 TYR A 46 -10.928 -1.842 3.306 1.00 51.21 H new ATOM 0 HB3 TYR A 46 -10.337 -2.288 4.894 1.00 51.21 H new ATOM 0 HD1 TYR A 46 -8.664 -4.675 4.241 1.00 30.33 H new ATOM 0 HD2 TYR A 46 -9.039 -0.944 2.217 1.00 20.32 H new ATOM 0 HE1 TYR A 46 -6.402 -4.946 3.325 1.00 3.15 H new ATOM 0 HE2 TYR A 46 -6.778 -1.213 1.299 1.00 72.23 H new ATOM 0 HH TYR A 46 -5.227 -3.788 0.928 1.00 64.30 H new ATOM 740 N GLN A 47 -10.764 -5.841 5.190 1.00 41.44 N ATOM 741 CA GLN A 47 -10.688 -6.610 6.426 1.00 45.20 C ATOM 742 C GLN A 47 -12.050 -6.680 7.108 1.00 4.14 C ATOM 743 O GLN A 47 -12.141 -6.680 8.335 1.00 12.03 O ATOM 744 CB GLN A 47 -9.660 -5.990 7.374 1.00 21.05 C ATOM 745 CG GLN A 47 -8.750 -7.012 8.037 1.00 44.51 C ATOM 746 CD GLN A 47 -7.336 -6.498 8.226 1.00 41.24 C ATOM 747 OE1 GLN A 47 -7.106 -5.531 8.953 1.00 52.14 O ATOM 748 NE2 GLN A 47 -6.379 -7.144 7.570 1.00 4.12 N ATOM 0 H GLN A 47 -10.440 -6.341 4.362 1.00 41.44 H new ATOM 0 HA GLN A 47 -10.376 -7.624 6.176 1.00 45.20 H new ATOM 0 HB2 GLN A 47 -9.049 -5.278 6.819 1.00 21.05 H new ATOM 0 HB3 GLN A 47 -10.184 -5.427 8.146 1.00 21.05 H new ATOM 0 HG2 GLN A 47 -9.165 -7.288 9.006 1.00 44.51 H new ATOM 0 HG3 GLN A 47 -8.725 -7.918 7.431 1.00 44.51 H new ATOM 0 HE21 GLN A 47 -6.615 -7.941 6.978 1.00 4.12 H new ATOM 0 HE22 GLN A 47 -5.408 -6.844 7.658 1.00 4.12 H new ATOM 757 N GLY A 48 -13.107 -6.739 6.304 1.00 21.22 N ATOM 758 CA GLY A 48 -14.450 -6.808 6.849 1.00 73.31 C ATOM 759 C GLY A 48 -14.981 -5.448 7.257 1.00 21.44 C ATOM 760 O GLY A 48 -16.085 -5.339 7.791 1.00 2.24 O ATOM 0 H GLY A 48 -13.057 -6.740 5.285 1.00 21.22 H new ATOM 0 HA2 GLY A 48 -15.117 -7.248 6.108 1.00 73.31 H new ATOM 0 HA3 GLY A 48 -14.454 -7.471 7.714 1.00 73.31 H new ATOM 764 N LYS A 49 -14.193 -4.408 7.008 1.00 63.22 N ATOM 765 CA LYS A 49 -14.588 -3.048 7.353 1.00 10.12 C ATOM 766 C LYS A 49 -15.027 -2.277 6.112 1.00 34.42 C ATOM 767 O LYS A 49 -14.628 -2.604 4.995 1.00 43.30 O ATOM 768 CB LYS A 49 -13.431 -2.317 8.037 1.00 3.33 C ATOM 769 CG LYS A 49 -13.725 -1.923 9.475 1.00 64.44 C ATOM 770 CD LYS A 49 -12.710 -2.522 10.435 1.00 15.30 C ATOM 771 CE LYS A 49 -12.902 -4.023 10.584 1.00 72.32 C ATOM 772 NZ LYS A 49 -14.218 -4.356 11.197 1.00 24.34 N ATOM 0 H LYS A 49 -13.276 -4.481 6.568 1.00 63.22 H new ATOM 0 HA LYS A 49 -15.432 -3.105 8.041 1.00 10.12 H new ATOM 0 HB2 LYS A 49 -12.547 -2.955 8.017 1.00 3.33 H new ATOM 0 HB3 LYS A 49 -13.190 -1.421 7.466 1.00 3.33 H new ATOM 0 HG2 LYS A 49 -13.716 -0.837 9.565 1.00 64.44 H new ATOM 0 HG3 LYS A 49 -14.726 -2.257 9.747 1.00 64.44 H new ATOM 0 HD2 LYS A 49 -11.702 -2.317 10.075 1.00 15.30 H new ATOM 0 HD3 LYS A 49 -12.803 -2.044 11.410 1.00 15.30 H new ATOM 0 HE2 LYS A 49 -12.827 -4.498 9.606 1.00 72.32 H new ATOM 0 HE3 LYS A 49 -12.101 -4.432 11.199 1.00 72.32 H new ATOM 0 HZ1 LYS A 49 -14.195 -5.330 11.560 1.00 24.34 H new ATOM 0 HZ2 LYS A 49 -14.412 -3.699 11.980 1.00 24.34 H new ATOM 0 HZ3 LYS A 49 -14.966 -4.271 10.480 1.00 24.34 H new ATOM 786 N GLN A 50 -15.850 -1.254 6.317 1.00 12.12 N ATOM 787 CA GLN A 50 -16.342 -0.437 5.214 1.00 33.21 C ATOM 788 C GLN A 50 -15.795 0.984 5.302 1.00 20.43 C ATOM 789 O GLN A 50 -15.373 1.433 6.369 1.00 72.41 O ATOM 790 CB GLN A 50 -17.872 -0.408 5.216 1.00 63.31 C ATOM 791 CG GLN A 50 -18.506 -1.773 5.431 1.00 62.12 C ATOM 792 CD GLN A 50 -18.879 -2.022 6.879 1.00 5.20 C ATOM 793 OE1 GLN A 50 -19.330 -1.116 7.580 1.00 4.15 O ATOM 794 NE2 GLN A 50 -18.692 -3.255 7.335 1.00 2.23 N ATOM 0 H GLN A 50 -16.190 -0.971 7.236 1.00 12.12 H new ATOM 0 HA GLN A 50 -15.995 -0.883 4.282 1.00 33.21 H new ATOM 0 HB2 GLN A 50 -18.213 0.269 5.999 1.00 63.31 H new ATOM 0 HB3 GLN A 50 -18.221 -0.000 4.267 1.00 63.31 H new ATOM 0 HG2 GLN A 50 -19.398 -1.857 4.810 1.00 62.12 H new ATOM 0 HG3 GLN A 50 -17.814 -2.547 5.100 1.00 62.12 H new ATOM 0 HE21 GLN A 50 -18.316 -3.975 6.718 1.00 2.23 H new ATOM 0 HE22 GLN A 50 -18.925 -3.482 8.302 1.00 2.23 H new ATOM 803 N LEU A 51 -15.804 1.687 4.175 1.00 31.42 N ATOM 804 CA LEU A 51 -15.308 3.058 4.125 1.00 70.44 C ATOM 805 C LEU A 51 -13.826 3.114 4.482 1.00 51.04 C ATOM 806 O LEU A 51 -13.457 3.034 5.653 1.00 71.14 O ATOM 807 CB LEU A 51 -16.108 3.946 5.079 1.00 73.12 C ATOM 808 CG LEU A 51 -17.610 3.670 5.152 1.00 35.41 C ATOM 809 CD1 LEU A 51 -18.250 4.488 6.263 1.00 30.32 C ATOM 810 CD2 LEU A 51 -18.274 3.970 3.816 1.00 0.41 C ATOM 0 H LEU A 51 -16.149 1.331 3.284 1.00 31.42 H new ATOM 0 HA LEU A 51 -15.432 3.426 3.107 1.00 70.44 H new ATOM 0 HB2 LEU A 51 -15.690 3.839 6.080 1.00 73.12 H new ATOM 0 HB3 LEU A 51 -15.964 4.985 4.783 1.00 73.12 H new ATOM 0 HG LEU A 51 -17.755 2.613 5.377 1.00 35.41 H new ATOM 0 HD11 LEU A 51 -19.319 4.278 6.300 1.00 30.32 H new ATOM 0 HD12 LEU A 51 -17.795 4.223 7.218 1.00 30.32 H new ATOM 0 HD13 LEU A 51 -18.095 5.549 6.069 1.00 30.32 H new ATOM 0 HD21 LEU A 51 -19.343 3.768 3.887 1.00 0.41 H new ATOM 0 HD22 LEU A 51 -18.119 5.018 3.560 1.00 0.41 H new ATOM 0 HD23 LEU A 51 -17.836 3.339 3.042 1.00 0.41 H new ATOM 822 N GLU A 52 -12.982 3.254 3.464 1.00 54.51 N ATOM 823 CA GLU A 52 -11.541 3.323 3.672 1.00 43.24 C ATOM 824 C GLU A 52 -10.978 4.641 3.146 1.00 25.53 C ATOM 825 O GLU A 52 -9.782 4.908 3.265 1.00 3.13 O ATOM 826 CB GLU A 52 -10.847 2.147 2.981 1.00 41.55 C ATOM 827 CG GLU A 52 -11.406 0.792 3.378 1.00 72.32 C ATOM 828 CD GLU A 52 -10.924 0.339 4.742 1.00 23.41 C ATOM 829 OE1 GLU A 52 -9.696 0.186 4.916 1.00 73.01 O ATOM 830 OE2 GLU A 52 -11.772 0.136 5.635 1.00 15.53 O ATOM 0 H GLU A 52 -13.272 3.322 2.488 1.00 54.51 H new ATOM 0 HA GLU A 52 -11.351 3.269 4.744 1.00 43.24 H new ATOM 0 HB2 GLU A 52 -10.938 2.266 1.901 1.00 41.55 H new ATOM 0 HB3 GLU A 52 -9.783 2.175 3.216 1.00 41.55 H new ATOM 0 HG2 GLU A 52 -12.495 0.838 3.379 1.00 72.32 H new ATOM 0 HG3 GLU A 52 -11.119 0.052 2.631 1.00 72.32 H new ATOM 837 N ASP A 53 -11.847 5.459 2.565 1.00 74.23 N ATOM 838 CA ASP A 53 -11.438 6.749 2.021 1.00 33.30 C ATOM 839 C ASP A 53 -10.710 7.576 3.075 1.00 4.23 C ATOM 840 O ASP A 53 -9.712 8.234 2.781 1.00 73.13 O ATOM 841 CB ASP A 53 -12.655 7.517 1.503 1.00 31.00 C ATOM 842 CG ASP A 53 -12.412 8.135 0.140 1.00 13.12 C ATOM 843 OD1 ASP A 53 -11.799 7.463 -0.715 1.00 74.20 O ATOM 844 OD2 ASP A 53 -12.834 9.292 -0.071 1.00 34.41 O ATOM 0 H ASP A 53 -12.840 5.252 2.458 1.00 74.23 H new ATOM 0 HA ASP A 53 -10.754 6.566 1.192 1.00 33.30 H new ATOM 0 HB2 ASP A 53 -13.509 6.843 1.446 1.00 31.00 H new ATOM 0 HB3 ASP A 53 -12.915 8.302 2.213 1.00 31.00 H new ATOM 849 N GLU A 54 -11.216 7.539 4.304 1.00 70.41 N ATOM 850 CA GLU A 54 -10.614 8.287 5.401 1.00 43.12 C ATOM 851 C GLU A 54 -9.252 7.707 5.772 1.00 42.20 C ATOM 852 O GLU A 54 -8.418 8.385 6.373 1.00 50.23 O ATOM 853 CB GLU A 54 -11.535 8.275 6.622 1.00 13.33 C ATOM 854 CG GLU A 54 -11.869 9.662 7.147 1.00 63.15 C ATOM 855 CD GLU A 54 -12.532 9.626 8.509 1.00 14.35 C ATOM 856 OE1 GLU A 54 -11.930 9.067 9.449 1.00 22.50 O ATOM 857 OE2 GLU A 54 -13.655 10.159 8.636 1.00 21.11 O ATOM 0 H GLU A 54 -12.041 6.999 4.565 1.00 70.41 H new ATOM 0 HA GLU A 54 -10.474 9.316 5.071 1.00 43.12 H new ATOM 0 HB2 GLU A 54 -12.461 7.761 6.363 1.00 13.33 H new ATOM 0 HB3 GLU A 54 -11.062 7.699 7.417 1.00 13.33 H new ATOM 0 HG2 GLU A 54 -10.955 10.253 7.207 1.00 63.15 H new ATOM 0 HG3 GLU A 54 -12.528 10.165 6.439 1.00 63.15 H new ATOM 864 N LYS A 55 -9.033 6.447 5.410 1.00 14.43 N ATOM 865 CA LYS A 55 -7.774 5.774 5.703 1.00 2.24 C ATOM 866 C LYS A 55 -6.836 5.828 4.502 1.00 45.30 C ATOM 867 O LYS A 55 -6.133 4.861 4.207 1.00 1.33 O ATOM 868 CB LYS A 55 -8.030 4.318 6.099 1.00 41.12 C ATOM 869 CG LYS A 55 -8.427 4.144 7.554 1.00 22.15 C ATOM 870 CD LYS A 55 -9.886 4.500 7.781 1.00 55.21 C ATOM 871 CE LYS A 55 -10.559 3.519 8.728 1.00 34.41 C ATOM 872 NZ LYS A 55 -12.041 3.663 8.716 1.00 54.13 N ATOM 0 H LYS A 55 -9.712 5.871 4.913 1.00 14.43 H new ATOM 0 HA LYS A 55 -7.299 6.292 6.536 1.00 2.24 H new ATOM 0 HB2 LYS A 55 -8.818 3.911 5.465 1.00 41.12 H new ATOM 0 HB3 LYS A 55 -7.131 3.734 5.904 1.00 41.12 H new ATOM 0 HG2 LYS A 55 -8.252 3.112 7.859 1.00 22.15 H new ATOM 0 HG3 LYS A 55 -7.796 4.773 8.182 1.00 22.15 H new ATOM 0 HD2 LYS A 55 -9.956 5.508 8.190 1.00 55.21 H new ATOM 0 HD3 LYS A 55 -10.413 4.506 6.827 1.00 55.21 H new ATOM 0 HE2 LYS A 55 -10.291 2.501 8.446 1.00 34.41 H new ATOM 0 HE3 LYS A 55 -10.187 3.678 9.740 1.00 34.41 H new ATOM 0 HZ1 LYS A 55 -12.461 2.988 9.387 1.00 54.13 H new ATOM 0 HZ2 LYS A 55 -12.298 4.632 8.993 1.00 54.13 H new ATOM 0 HZ3 LYS A 55 -12.401 3.469 7.760 1.00 54.13 H new ATOM 886 N ARG A 56 -6.829 6.965 3.813 1.00 24.21 N ATOM 887 CA ARG A 56 -5.976 7.144 2.644 1.00 52.30 C ATOM 888 C ARG A 56 -4.543 6.716 2.945 1.00 20.22 C ATOM 889 O ARG A 56 -4.124 5.615 2.585 1.00 31.23 O ATOM 890 CB ARG A 56 -5.998 8.605 2.190 1.00 73.13 C ATOM 891 CG ARG A 56 -6.182 9.594 3.329 1.00 43.42 C ATOM 892 CD ARG A 56 -7.608 10.119 3.387 1.00 21.20 C ATOM 893 NE ARG A 56 -7.656 11.537 3.733 1.00 61.13 N ATOM 894 CZ ARG A 56 -8.784 12.231 3.835 1.00 71.34 C ATOM 895 NH1 ARG A 56 -9.951 11.640 3.619 1.00 73.02 N ATOM 896 NH2 ARG A 56 -8.746 13.518 4.153 1.00 11.24 N ATOM 0 H ARG A 56 -7.404 7.775 4.044 1.00 24.21 H new ATOM 0 HA ARG A 56 -6.364 6.515 1.843 1.00 52.30 H new ATOM 0 HB2 ARG A 56 -5.066 8.830 1.672 1.00 73.13 H new ATOM 0 HB3 ARG A 56 -6.804 8.740 1.469 1.00 73.13 H new ATOM 0 HG2 ARG A 56 -5.932 9.112 4.274 1.00 43.42 H new ATOM 0 HG3 ARG A 56 -5.491 10.428 3.203 1.00 43.42 H new ATOM 0 HD2 ARG A 56 -8.090 9.965 2.422 1.00 21.20 H new ATOM 0 HD3 ARG A 56 -8.175 9.547 4.122 1.00 21.20 H new ATOM 0 HE ARG A 56 -6.775 12.021 3.906 1.00 61.13 H new ATOM 0 HH11 ARG A 56 -9.984 10.650 3.374 1.00 73.02 H new ATOM 0 HH12 ARG A 56 -10.816 12.175 3.698 1.00 73.02 H new ATOM 0 HH21 ARG A 56 -7.850 13.976 4.320 1.00 11.24 H new ATOM 0 HH22 ARG A 56 -9.613 14.050 4.231 1.00 11.24 H new ATOM 910 N LEU A 57 -3.796 7.593 3.606 1.00 24.45 N ATOM 911 CA LEU A 57 -2.409 7.306 3.956 1.00 24.20 C ATOM 912 C LEU A 57 -2.321 6.114 4.904 1.00 12.34 C ATOM 913 O LEU A 57 -1.383 5.320 4.836 1.00 72.20 O ATOM 914 CB LEU A 57 -1.760 8.533 4.599 1.00 20.23 C ATOM 915 CG LEU A 57 -0.234 8.600 4.529 1.00 20.42 C ATOM 916 CD1 LEU A 57 0.249 10.025 4.748 1.00 15.12 C ATOM 917 CD2 LEU A 57 0.389 7.661 5.552 1.00 35.14 C ATOM 0 H LEU A 57 -4.127 8.509 3.910 1.00 24.45 H new ATOM 0 HA LEU A 57 -1.873 7.058 3.040 1.00 24.20 H new ATOM 0 HB2 LEU A 57 -2.165 9.425 4.122 1.00 20.23 H new ATOM 0 HB3 LEU A 57 -2.057 8.569 5.647 1.00 20.23 H new ATOM 0 HG LEU A 57 0.079 8.281 3.535 1.00 20.42 H new ATOM 0 HD11 LEU A 57 1.337 10.053 4.695 1.00 15.12 H new ATOM 0 HD12 LEU A 57 -0.169 10.673 3.978 1.00 15.12 H new ATOM 0 HD13 LEU A 57 -0.075 10.372 5.729 1.00 15.12 H new ATOM 0 HD21 LEU A 57 1.475 7.722 5.488 1.00 35.14 H new ATOM 0 HD22 LEU A 57 0.068 7.949 6.553 1.00 35.14 H new ATOM 0 HD23 LEU A 57 0.070 6.639 5.349 1.00 35.14 H new ATOM 929 N LYS A 58 -3.306 5.995 5.788 1.00 32.30 N ATOM 930 CA LYS A 58 -3.344 4.898 6.749 1.00 41.43 C ATOM 931 C LYS A 58 -3.341 3.550 6.036 1.00 62.12 C ATOM 932 O LYS A 58 -2.906 2.543 6.595 1.00 60.23 O ATOM 933 CB LYS A 58 -4.584 5.014 7.638 1.00 52.54 C ATOM 934 CG LYS A 58 -4.262 5.223 9.107 1.00 20.32 C ATOM 935 CD LYS A 58 -4.756 4.064 9.956 1.00 33.52 C ATOM 936 CE LYS A 58 -3.750 3.694 11.036 1.00 53.44 C ATOM 937 NZ LYS A 58 -2.749 2.707 10.546 1.00 2.01 N ATOM 0 H LYS A 58 -4.089 6.645 5.859 1.00 32.30 H new ATOM 0 HA LYS A 58 -2.451 4.962 7.371 1.00 41.43 H new ATOM 0 HB2 LYS A 58 -5.196 5.845 7.287 1.00 52.54 H new ATOM 0 HB3 LYS A 58 -5.183 4.110 7.531 1.00 52.54 H new ATOM 0 HG2 LYS A 58 -3.185 5.334 9.232 1.00 20.32 H new ATOM 0 HG3 LYS A 58 -4.720 6.150 9.453 1.00 20.32 H new ATOM 0 HD2 LYS A 58 -5.706 4.330 10.419 1.00 33.52 H new ATOM 0 HD3 LYS A 58 -4.942 3.199 9.319 1.00 33.52 H new ATOM 0 HE2 LYS A 58 -3.237 4.593 11.378 1.00 53.44 H new ATOM 0 HE3 LYS A 58 -4.276 3.281 11.897 1.00 53.44 H new ATOM 0 HZ1 LYS A 58 -2.082 2.481 11.311 1.00 2.01 H new ATOM 0 HZ2 LYS A 58 -3.236 1.839 10.244 1.00 2.01 H new ATOM 0 HZ3 LYS A 58 -2.229 3.111 9.741 1.00 2.01 H new ATOM 951 N ASP A 59 -3.827 3.538 4.800 1.00 43.44 N ATOM 952 CA ASP A 59 -3.877 2.314 4.009 1.00 34.23 C ATOM 953 C ASP A 59 -2.531 2.038 3.348 1.00 23.30 C ATOM 954 O ASP A 59 -2.273 0.928 2.880 1.00 54.31 O ATOM 955 CB ASP A 59 -4.971 2.413 2.945 1.00 14.20 C ATOM 956 CG ASP A 59 -6.288 1.824 3.411 1.00 12.35 C ATOM 957 OD1 ASP A 59 -6.589 1.925 4.620 1.00 42.04 O ATOM 958 OD2 ASP A 59 -7.018 1.263 2.568 1.00 15.33 O ATOM 0 H ASP A 59 -4.192 4.363 4.324 1.00 43.44 H new ATOM 0 HA ASP A 59 -4.108 1.487 4.680 1.00 34.23 H new ATOM 0 HB2 ASP A 59 -5.119 3.459 2.677 1.00 14.20 H new ATOM 0 HB3 ASP A 59 -4.644 1.896 2.043 1.00 14.20 H new ATOM 963 N TYR A 60 -1.676 3.054 3.312 1.00 23.43 N ATOM 964 CA TYR A 60 -0.357 2.922 2.705 1.00 23.52 C ATOM 965 C TYR A 60 0.583 2.130 3.610 1.00 53.10 C ATOM 966 O TYR A 60 1.595 1.596 3.156 1.00 15.43 O ATOM 967 CB TYR A 60 0.236 4.302 2.418 1.00 24.03 C ATOM 968 CG TYR A 60 1.563 4.253 1.695 1.00 62.40 C ATOM 969 CD1 TYR A 60 1.732 3.462 0.565 1.00 22.34 C ATOM 970 CD2 TYR A 60 2.648 4.998 2.141 1.00 72.00 C ATOM 971 CE1 TYR A 60 2.943 3.413 -0.098 1.00 11.10 C ATOM 972 CE2 TYR A 60 3.862 4.957 1.483 1.00 31.30 C ATOM 973 CZ TYR A 60 4.005 4.162 0.364 1.00 14.45 C ATOM 974 OH TYR A 60 5.212 4.118 -0.294 1.00 72.24 O ATOM 0 H TYR A 60 -1.873 3.978 3.696 1.00 23.43 H new ATOM 0 HA TYR A 60 -0.470 2.380 1.766 1.00 23.52 H new ATOM 0 HB2 TYR A 60 -0.473 4.875 1.820 1.00 24.03 H new ATOM 0 HB3 TYR A 60 0.364 4.836 3.360 1.00 24.03 H new ATOM 0 HD1 TYR A 60 0.902 2.875 0.199 1.00 22.34 H new ATOM 0 HD2 TYR A 60 2.540 5.620 3.017 1.00 72.00 H new ATOM 0 HE1 TYR A 60 3.058 2.791 -0.974 1.00 11.10 H new ATOM 0 HE2 TYR A 60 4.694 5.544 1.842 1.00 31.30 H new ATOM 0 HH TYR A 60 5.393 3.200 -0.584 1.00 72.24 H new ATOM 984 N GLN A 61 0.239 2.059 4.892 1.00 53.12 N ATOM 985 CA GLN A 61 1.051 1.333 5.861 1.00 12.11 C ATOM 986 C GLN A 61 0.806 -0.169 5.760 1.00 1.21 C ATOM 987 O GLN A 61 1.470 -0.962 6.427 1.00 42.31 O ATOM 988 CB GLN A 61 0.744 1.817 7.279 1.00 4.54 C ATOM 989 CG GLN A 61 1.986 2.041 8.127 1.00 0.53 C ATOM 990 CD GLN A 61 1.666 2.635 9.485 1.00 43.30 C ATOM 991 OE1 GLN A 61 0.501 2.845 9.825 1.00 45.11 O ATOM 992 NE2 GLN A 61 2.701 2.910 10.270 1.00 24.21 N ATOM 0 H GLN A 61 -0.596 2.495 5.283 1.00 53.12 H new ATOM 0 HA GLN A 61 2.100 1.528 5.637 1.00 12.11 H new ATOM 0 HB2 GLN A 61 0.180 2.748 7.222 1.00 4.54 H new ATOM 0 HB3 GLN A 61 0.104 1.086 7.773 1.00 4.54 H new ATOM 0 HG2 GLN A 61 2.505 1.092 8.263 1.00 0.53 H new ATOM 0 HG3 GLN A 61 2.669 2.704 7.596 1.00 0.53 H new ATOM 0 HE21 GLN A 61 3.650 2.720 9.948 1.00 24.21 H new ATOM 0 HE22 GLN A 61 2.547 3.311 11.195 1.00 24.21 H new ATOM 1001 N MET A 62 -0.152 -0.552 4.922 1.00 25.31 N ATOM 1002 CA MET A 62 -0.483 -1.960 4.734 1.00 40.14 C ATOM 1003 C MET A 62 0.443 -2.604 3.706 1.00 10.45 C ATOM 1004 O MET A 62 1.269 -3.451 4.046 1.00 13.12 O ATOM 1005 CB MET A 62 -1.939 -2.108 4.288 1.00 11.23 C ATOM 1006 CG MET A 62 -2.902 -1.212 5.050 1.00 3.44 C ATOM 1007 SD MET A 62 -2.868 -1.510 6.828 1.00 11.54 S ATOM 1008 CE MET A 62 -4.009 -2.884 6.963 1.00 3.00 C ATOM 0 H MET A 62 -0.712 0.092 4.363 1.00 25.31 H new ATOM 0 HA MET A 62 -0.348 -2.470 5.688 1.00 40.14 H new ATOM 0 HB2 MET A 62 -2.009 -1.881 3.224 1.00 11.23 H new ATOM 0 HB3 MET A 62 -2.245 -3.147 4.414 1.00 11.23 H new ATOM 0 HG2 MET A 62 -2.653 -0.169 4.855 1.00 3.44 H new ATOM 0 HG3 MET A 62 -3.914 -1.373 4.678 1.00 3.44 H new ATOM 0 HE1 MET A 62 -4.095 -3.184 8.007 1.00 3.00 H new ATOM 0 HE2 MET A 62 -4.988 -2.582 6.590 1.00 3.00 H new ATOM 0 HE3 MET A 62 -3.639 -3.723 6.374 1.00 3.00 H new ATOM 1018 N SER A 63 0.300 -2.196 2.449 1.00 35.14 N ATOM 1019 CA SER A 63 1.121 -2.736 1.372 1.00 35.52 C ATOM 1020 C SER A 63 0.989 -4.255 1.298 1.00 0.33 C ATOM 1021 O SER A 63 1.888 -4.944 0.818 1.00 5.14 O ATOM 1022 CB SER A 63 2.586 -2.350 1.577 1.00 45.55 C ATOM 1023 OG SER A 63 2.707 -0.990 1.959 1.00 34.43 O ATOM 0 H SER A 63 -0.377 -1.493 2.152 1.00 35.14 H new ATOM 0 HA SER A 63 0.769 -2.311 0.432 1.00 35.52 H new ATOM 0 HB2 SER A 63 3.029 -2.987 2.343 1.00 45.55 H new ATOM 0 HB3 SER A 63 3.143 -2.523 0.656 1.00 45.55 H new ATOM 0 HG SER A 63 3.653 -0.769 2.086 1.00 34.43 H new ATOM 1029 N ALA A 64 -0.139 -4.769 1.777 1.00 10.45 N ATOM 1030 CA ALA A 64 -0.390 -6.204 1.764 1.00 35.34 C ATOM 1031 C ALA A 64 -1.774 -6.524 2.320 1.00 22.45 C ATOM 1032 O ALA A 64 -1.931 -7.433 3.134 1.00 33.53 O ATOM 1033 CB ALA A 64 0.682 -6.935 2.559 1.00 71.12 C ATOM 0 H ALA A 64 -0.893 -4.212 2.179 1.00 10.45 H new ATOM 0 HA ALA A 64 -0.355 -6.545 0.729 1.00 35.34 H new ATOM 0 HB1 ALA A 64 0.482 -8.006 2.541 1.00 71.12 H new ATOM 0 HB2 ALA A 64 1.659 -6.741 2.116 1.00 71.12 H new ATOM 0 HB3 ALA A 64 0.674 -6.582 3.590 1.00 71.12 H new ATOM 1039 N GLY A 65 -2.775 -5.770 1.876 1.00 64.21 N ATOM 1040 CA GLY A 65 -4.132 -5.989 2.341 1.00 62.11 C ATOM 1041 C GLY A 65 -5.097 -6.261 1.204 1.00 13.34 C ATOM 1042 O GLY A 65 -5.270 -5.428 0.315 1.00 3.31 O ATOM 0 H GLY A 65 -2.670 -5.011 1.202 1.00 64.21 H new ATOM 0 HA2 GLY A 65 -4.144 -6.831 3.033 1.00 62.11 H new ATOM 0 HA3 GLY A 65 -4.468 -5.114 2.897 1.00 62.11 H new ATOM 1046 N ALA A 66 -5.728 -7.430 1.232 1.00 25.42 N ATOM 1047 CA ALA A 66 -6.681 -7.809 0.197 1.00 62.44 C ATOM 1048 C ALA A 66 -7.868 -6.853 0.167 1.00 34.33 C ATOM 1049 O ALA A 66 -8.414 -6.491 1.210 1.00 31.54 O ATOM 1050 CB ALA A 66 -7.156 -9.238 0.414 1.00 33.23 C ATOM 0 H ALA A 66 -5.596 -8.131 1.961 1.00 25.42 H new ATOM 0 HA ALA A 66 -6.176 -7.749 -0.767 1.00 62.44 H new ATOM 0 HB1 ALA A 66 -7.867 -9.507 -0.367 1.00 33.23 H new ATOM 0 HB2 ALA A 66 -6.302 -9.915 0.376 1.00 33.23 H new ATOM 0 HB3 ALA A 66 -7.639 -9.317 1.388 1.00 33.23 H new ATOM 1056 N THR A 67 -8.265 -6.446 -1.034 1.00 42.25 N ATOM 1057 CA THR A 67 -9.387 -5.530 -1.200 1.00 24.15 C ATOM 1058 C THR A 67 -10.457 -6.129 -2.105 1.00 64.01 C ATOM 1059 O THR A 67 -10.146 -6.768 -3.111 1.00 35.34 O ATOM 1060 CB THR A 67 -8.929 -4.182 -1.787 1.00 12.53 C ATOM 1061 OG1 THR A 67 -7.534 -4.233 -2.104 1.00 23.25 O ATOM 1062 CG2 THR A 67 -9.190 -3.048 -0.806 1.00 72.04 C ATOM 0 H THR A 67 -7.826 -6.737 -1.907 1.00 42.25 H new ATOM 0 HA THR A 67 -9.807 -5.362 -0.208 1.00 24.15 H new ATOM 0 HB THR A 67 -9.500 -3.994 -2.696 1.00 12.53 H new ATOM 0 HG1 THR A 67 -7.021 -3.796 -1.393 1.00 23.25 H new ATOM 0 HG21 THR A 67 -8.858 -2.106 -1.242 1.00 72.04 H new ATOM 0 HG22 THR A 67 -10.257 -2.992 -0.590 1.00 72.04 H new ATOM 0 HG23 THR A 67 -8.642 -3.233 0.118 1.00 72.04 H new ATOM 1070 N PHE A 68 -11.718 -5.918 -1.743 1.00 4.30 N ATOM 1071 CA PHE A 68 -12.834 -6.437 -2.523 1.00 75.44 C ATOM 1072 C PHE A 68 -13.859 -5.342 -2.803 1.00 40.22 C ATOM 1073 O PHE A 68 -14.510 -4.837 -1.888 1.00 54.11 O ATOM 1074 CB PHE A 68 -13.503 -7.600 -1.786 1.00 5.31 C ATOM 1075 CG PHE A 68 -14.820 -8.009 -2.380 1.00 11.50 C ATOM 1076 CD1 PHE A 68 -14.877 -8.598 -3.632 1.00 72.34 C ATOM 1077 CD2 PHE A 68 -16.002 -7.803 -1.686 1.00 44.50 C ATOM 1078 CE1 PHE A 68 -16.088 -8.976 -4.182 1.00 30.02 C ATOM 1079 CE2 PHE A 68 -17.215 -8.179 -2.230 1.00 51.51 C ATOM 1080 CZ PHE A 68 -17.259 -8.765 -3.480 1.00 44.20 C ATOM 0 H PHE A 68 -11.992 -5.391 -0.914 1.00 4.30 H new ATOM 0 HA PHE A 68 -12.442 -6.796 -3.475 1.00 75.44 H new ATOM 0 HB2 PHE A 68 -12.830 -8.457 -1.790 1.00 5.31 H new ATOM 0 HB3 PHE A 68 -13.655 -7.319 -0.744 1.00 5.31 H new ATOM 0 HD1 PHE A 68 -13.965 -8.764 -4.185 1.00 72.34 H new ATOM 0 HD2 PHE A 68 -15.974 -7.343 -0.709 1.00 44.50 H new ATOM 0 HE1 PHE A 68 -16.118 -9.435 -5.159 1.00 30.02 H new ATOM 0 HE2 PHE A 68 -18.129 -8.015 -1.678 1.00 51.51 H new ATOM 0 HZ PHE A 68 -18.207 -9.058 -3.908 1.00 44.20 H new ATOM 1090 N HIS A 69 -13.996 -4.978 -4.074 1.00 63.35 N ATOM 1091 CA HIS A 69 -14.941 -3.942 -4.476 1.00 63.30 C ATOM 1092 C HIS A 69 -16.301 -4.548 -4.810 1.00 43.35 C ATOM 1093 O HIS A 69 -16.384 -5.654 -5.344 1.00 11.35 O ATOM 1094 CB HIS A 69 -14.402 -3.171 -5.681 1.00 55.14 C ATOM 1095 CG HIS A 69 -13.239 -2.286 -5.355 1.00 64.43 C ATOM 1096 ND1 HIS A 69 -12.236 -2.653 -4.482 1.00 52.12 N ATOM 1097 CD2 HIS A 69 -12.920 -1.046 -5.793 1.00 4.25 C ATOM 1098 CE1 HIS A 69 -11.352 -1.675 -4.395 1.00 70.31 C ATOM 1099 NE2 HIS A 69 -11.743 -0.688 -5.181 1.00 32.40 N ATOM 0 H HIS A 69 -13.464 -5.385 -4.843 1.00 63.35 H new ATOM 0 HA HIS A 69 -15.066 -3.253 -3.640 1.00 63.30 H new ATOM 0 HB2 HIS A 69 -14.103 -3.881 -6.452 1.00 55.14 H new ATOM 0 HB3 HIS A 69 -15.204 -2.564 -6.101 1.00 55.14 H new ATOM 0 HD2 HIS A 69 -13.485 -0.449 -6.493 1.00 4.25 H new ATOM 0 HE1 HIS A 69 -10.461 -1.681 -3.785 1.00 70.31 H new ATOM 0 HE2 HIS A 69 -11.251 0.196 -5.312 1.00 32.40 H new ATOM 1107 N MET A 70 -17.363 -3.815 -4.493 1.00 32.30 N ATOM 1108 CA MET A 70 -18.719 -4.281 -4.761 1.00 12.55 C ATOM 1109 C MET A 70 -19.516 -3.225 -5.520 1.00 51.05 C ATOM 1110 O MET A 70 -19.537 -2.055 -5.139 1.00 41.40 O ATOM 1111 CB MET A 70 -19.430 -4.628 -3.451 1.00 2.00 C ATOM 1112 CG MET A 70 -20.916 -4.901 -3.620 1.00 4.34 C ATOM 1113 SD MET A 70 -21.506 -6.221 -2.542 1.00 52.54 S ATOM 1114 CE MET A 70 -21.957 -5.288 -1.081 1.00 33.40 C ATOM 0 H MET A 70 -17.311 -2.897 -4.051 1.00 32.30 H new ATOM 0 HA MET A 70 -18.653 -5.176 -5.379 1.00 12.55 H new ATOM 0 HB2 MET A 70 -18.956 -5.505 -3.011 1.00 2.00 H new ATOM 0 HB3 MET A 70 -19.298 -3.807 -2.747 1.00 2.00 H new ATOM 0 HG2 MET A 70 -21.475 -3.989 -3.411 1.00 4.34 H new ATOM 0 HG3 MET A 70 -21.117 -5.167 -4.658 1.00 4.34 H new ATOM 0 HE1 MET A 70 -22.341 -5.967 -0.320 1.00 33.40 H new ATOM 0 HE2 MET A 70 -21.079 -4.770 -0.695 1.00 33.40 H new ATOM 0 HE3 MET A 70 -22.725 -4.559 -1.338 1.00 33.40 H new ATOM 1124 N VAL A 71 -20.171 -3.646 -6.598 1.00 21.11 N ATOM 1125 CA VAL A 71 -20.970 -2.737 -7.411 1.00 1.01 C ATOM 1126 C VAL A 71 -22.394 -3.255 -7.577 1.00 20.44 C ATOM 1127 O VAL A 71 -22.627 -4.256 -8.255 1.00 51.43 O ATOM 1128 CB VAL A 71 -20.344 -2.532 -8.803 1.00 74.55 C ATOM 1129 CG1 VAL A 71 -20.046 -3.873 -9.457 1.00 24.21 C ATOM 1130 CG2 VAL A 71 -21.262 -1.695 -9.681 1.00 40.14 C ATOM 0 H VAL A 71 -20.164 -4.611 -6.928 1.00 21.11 H new ATOM 0 HA VAL A 71 -20.993 -1.781 -6.887 1.00 1.01 H new ATOM 0 HB VAL A 71 -19.403 -1.995 -8.684 1.00 74.55 H new ATOM 0 HG11 VAL A 71 -19.604 -3.708 -10.440 1.00 24.21 H new ATOM 0 HG12 VAL A 71 -19.349 -4.434 -8.835 1.00 24.21 H new ATOM 0 HG13 VAL A 71 -20.971 -4.439 -9.565 1.00 24.21 H new ATOM 0 HG21 VAL A 71 -20.804 -1.560 -10.661 1.00 40.14 H new ATOM 0 HG22 VAL A 71 -22.220 -2.203 -9.795 1.00 40.14 H new ATOM 0 HG23 VAL A 71 -21.421 -0.721 -9.217 1.00 40.14 H new ATOM 1140 N VAL A 72 -23.345 -2.568 -6.952 1.00 3.32 N ATOM 1141 CA VAL A 72 -24.747 -2.957 -7.031 1.00 74.20 C ATOM 1142 C VAL A 72 -25.452 -2.244 -8.179 1.00 40.33 C ATOM 1143 O VAL A 72 -25.766 -1.057 -8.087 1.00 32.51 O ATOM 1144 CB VAL A 72 -25.490 -2.650 -5.717 1.00 53.02 C ATOM 1145 CG1 VAL A 72 -26.686 -3.576 -5.550 1.00 44.23 C ATOM 1146 CG2 VAL A 72 -24.545 -2.767 -4.531 1.00 60.22 C ATOM 0 H VAL A 72 -23.169 -1.739 -6.385 1.00 3.32 H new ATOM 0 HA VAL A 72 -24.767 -4.032 -7.208 1.00 74.20 H new ATOM 0 HB VAL A 72 -25.858 -1.625 -5.759 1.00 53.02 H new ATOM 0 HG11 VAL A 72 -27.198 -3.344 -4.616 1.00 44.23 H new ATOM 0 HG12 VAL A 72 -27.373 -3.437 -6.385 1.00 44.23 H new ATOM 0 HG13 VAL A 72 -26.345 -4.611 -5.529 1.00 44.23 H new ATOM 0 HG21 VAL A 72 -25.087 -2.547 -3.611 1.00 60.22 H new ATOM 0 HG22 VAL A 72 -24.145 -3.780 -4.483 1.00 60.22 H new ATOM 0 HG23 VAL A 72 -23.725 -2.058 -4.648 1.00 60.22 H new ATOM 1156 N ALA A 73 -25.698 -2.975 -9.261 1.00 63.14 N ATOM 1157 CA ALA A 73 -26.368 -2.413 -10.427 1.00 43.14 C ATOM 1158 C ALA A 73 -27.636 -3.191 -10.760 1.00 71.32 C ATOM 1159 O ALA A 73 -27.601 -4.161 -11.519 1.00 23.01 O ATOM 1160 CB ALA A 73 -25.426 -2.400 -11.622 1.00 44.31 C ATOM 0 H ALA A 73 -25.443 -3.958 -9.354 1.00 63.14 H new ATOM 0 HA ALA A 73 -26.653 -1.388 -10.192 1.00 43.14 H new ATOM 0 HB1 ALA A 73 -25.940 -1.978 -12.486 1.00 44.31 H new ATOM 0 HB2 ALA A 73 -24.550 -1.794 -11.389 1.00 44.31 H new ATOM 0 HB3 ALA A 73 -25.112 -3.419 -11.849 1.00 44.31 H new ATOM 1166 N LEU A 74 -28.755 -2.762 -10.188 1.00 13.21 N ATOM 1167 CA LEU A 74 -30.036 -3.419 -10.423 1.00 71.34 C ATOM 1168 C LEU A 74 -30.973 -2.517 -11.219 1.00 55.31 C ATOM 1169 O LEU A 74 -31.829 -2.996 -11.964 1.00 3.31 O ATOM 1170 CB LEU A 74 -30.687 -3.803 -9.093 1.00 63.43 C ATOM 1171 CG LEU A 74 -30.898 -2.664 -8.096 1.00 13.02 C ATOM 1172 CD1 LEU A 74 -32.342 -2.188 -8.127 1.00 75.50 C ATOM 1173 CD2 LEU A 74 -30.510 -3.105 -6.692 1.00 73.20 C ATOM 0 H LEU A 74 -28.802 -1.961 -9.558 1.00 13.21 H new ATOM 0 HA LEU A 74 -29.851 -4.323 -11.004 1.00 71.34 H new ATOM 0 HB2 LEU A 74 -31.654 -4.259 -9.303 1.00 63.43 H new ATOM 0 HB3 LEU A 74 -30.071 -4.566 -8.617 1.00 63.43 H new ATOM 0 HG LEU A 74 -30.256 -1.831 -8.384 1.00 13.02 H new ATOM 0 HD11 LEU A 74 -32.473 -1.377 -7.411 1.00 75.50 H new ATOM 0 HD12 LEU A 74 -32.586 -1.831 -9.128 1.00 75.50 H new ATOM 0 HD13 LEU A 74 -33.003 -3.014 -7.865 1.00 75.50 H new ATOM 0 HD21 LEU A 74 -30.667 -2.281 -5.996 1.00 73.20 H new ATOM 0 HD22 LEU A 74 -31.125 -3.954 -6.394 1.00 73.20 H new ATOM 0 HD23 LEU A 74 -29.460 -3.396 -6.679 1.00 73.20 H new ATOM 1185 N ARG A 75 -30.805 -1.208 -11.058 1.00 31.34 N ATOM 1186 CA ARG A 75 -31.635 -0.238 -11.762 1.00 33.54 C ATOM 1187 C ARG A 75 -31.538 -0.434 -13.272 1.00 3.12 C ATOM 1188 O ARG A 75 -32.551 -0.484 -13.968 1.00 33.21 O ATOM 1189 CB ARG A 75 -31.217 1.186 -11.393 1.00 1.01 C ATOM 1190 CG ARG A 75 -32.328 2.000 -10.751 1.00 13.30 C ATOM 1191 CD ARG A 75 -32.285 1.904 -9.234 1.00 4.00 C ATOM 1192 NE ARG A 75 -33.010 2.999 -8.595 1.00 23.11 N ATOM 1193 CZ ARG A 75 -33.128 3.132 -7.279 1.00 10.54 C ATOM 1194 NH1 ARG A 75 -32.572 2.245 -6.466 1.00 65.32 N ATOM 1195 NH2 ARG A 75 -33.804 4.156 -6.773 1.00 3.25 N ATOM 0 H ARG A 75 -30.101 -0.795 -10.446 1.00 31.34 H new ATOM 0 HA ARG A 75 -32.670 -0.395 -11.459 1.00 33.54 H new ATOM 0 HB2 ARG A 75 -30.369 1.141 -10.709 1.00 1.01 H new ATOM 0 HB3 ARG A 75 -30.875 1.699 -12.292 1.00 1.01 H new ATOM 0 HG2 ARG A 75 -32.237 3.043 -11.053 1.00 13.30 H new ATOM 0 HG3 ARG A 75 -33.294 1.647 -11.112 1.00 13.30 H new ATOM 0 HD2 ARG A 75 -32.714 0.953 -8.919 1.00 4.00 H new ATOM 0 HD3 ARG A 75 -31.248 1.912 -8.900 1.00 4.00 H new ATOM 0 HE ARG A 75 -33.450 3.700 -9.192 1.00 23.11 H new ATOM 0 HH11 ARG A 75 -32.051 1.457 -6.851 1.00 65.32 H new ATOM 0 HH12 ARG A 75 -32.665 2.351 -5.456 1.00 65.32 H new ATOM 0 HH21 ARG A 75 -34.233 4.841 -7.395 1.00 3.25 H new ATOM 0 HH22 ARG A 75 -33.894 4.258 -5.762 1.00 3.25 H new ATOM 1209 N ALA A 76 -30.311 -0.543 -13.771 1.00 41.21 N ATOM 1210 CA ALA A 76 -30.081 -0.734 -15.198 1.00 21.13 C ATOM 1211 C ALA A 76 -28.976 -1.756 -15.443 1.00 43.45 C ATOM 1212 O ALA A 76 -28.150 -2.014 -14.569 1.00 11.02 O ATOM 1213 CB ALA A 76 -29.733 0.592 -15.859 1.00 35.44 C ATOM 0 H ALA A 76 -29.461 -0.502 -13.208 1.00 41.21 H new ATOM 0 HA ALA A 76 -31.000 -1.118 -15.641 1.00 21.13 H new ATOM 0 HB1 ALA A 76 -29.564 0.434 -16.924 1.00 35.44 H new ATOM 0 HB2 ALA A 76 -30.556 1.294 -15.722 1.00 35.44 H new ATOM 0 HB3 ALA A 76 -28.830 0.999 -15.405 1.00 35.44 H new ATOM 1219 N GLY A 77 -28.967 -2.335 -16.640 1.00 42.24 N ATOM 1220 CA GLY A 77 -27.959 -3.322 -16.979 1.00 61.40 C ATOM 1221 C GLY A 77 -28.026 -3.744 -18.434 1.00 2.25 C ATOM 1222 O GLY A 77 -28.251 -4.916 -18.737 1.00 53.15 O ATOM 0 H GLY A 77 -29.640 -2.138 -17.381 1.00 42.24 H new ATOM 0 HA2 GLY A 77 -26.970 -2.915 -16.767 1.00 61.40 H new ATOM 0 HA3 GLY A 77 -28.085 -4.199 -16.344 1.00 61.40 H new ATOM 1226 N CYS A 78 -27.831 -2.787 -19.334 1.00 72.23 N ATOM 1227 CA CYS A 78 -27.873 -3.065 -20.766 1.00 10.13 C ATOM 1228 C CYS A 78 -26.572 -3.709 -21.233 1.00 3.31 C ATOM 1229 O CYS A 78 -26.324 -4.886 -20.977 1.00 24.43 O ATOM 1230 CB CYS A 78 -28.129 -1.776 -21.549 1.00 23.50 C ATOM 1231 SG CYS A 78 -29.159 -1.998 -23.018 1.00 15.21 S ATOM 0 H CYS A 78 -27.642 -1.813 -19.099 1.00 72.23 H new ATOM 0 HA CYS A 78 -28.689 -3.763 -20.952 1.00 10.13 H new ATOM 0 HB2 CYS A 78 -28.607 -1.052 -20.889 1.00 23.50 H new ATOM 0 HB3 CYS A 78 -27.172 -1.350 -21.850 1.00 23.50 H new ATOM 0 HG CYS A 78 -29.321 -0.853 -23.612 1.00 15.21 H new TER 1237 CYS A 78