USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 784 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 86 THR OG1 : rot 122:sc= 1.9 USER MOD Set 1.2: A 100 LYS NZ :NH3+ 159:sc= -1.11 (180deg=-1.44) USER MOD Set 2.1: A 62 LYS NZ :NH3+ 146:sc= 1.15 (180deg=-0.374) USER MOD Set 2.2: A 63 GLN : amide:sc= -3.95! C(o=-2.8!,f=-12!) USER MOD Set 3.1: A 40 ASN : amide:sc= -2.68 K(o=-4.5,f=-6.4) USER MOD Set 3.2: A 61 HIS : no HE2:sc= -1.86 K(o=-4.5,f=-5.4) USER MOD Set 4.1: A 57 LYS NZ :NH3+ -112:sc= 0.232! (180deg=0.498) USER MOD Set 4.2: A 60 SER OG : rot -79:sc= -0.475! USER MOD Set 5.1: A 39 HIS : no HE2:sc= -3.41 K(o=-7.9,f=-21!) USER MOD Set 5.2: A 89 CYS SG : rot -128:sc= -4.19! USER MOD Set 5.3: A 92 HIS : no HD1:sc= -0.266 K(o=-7.9,f=-18!) USER MOD Set 6.1: A 28 THR OG1 : rot -77:sc= 0.0886 USER MOD Set 6.2: A 73 SER OG : rot 81:sc= 1.44 USER MOD Set 6.3: A 75 THR OG1 : rot 84:sc= -0.309! USER MOD Set 7.1: A 20 LYS NZ :NH3+ 143:sc= -2.29! (180deg=-6.91!) USER MOD Set 7.2: A 22 THR OG1 : rot -112:sc= -0.625 USER MOD Set 7.3: A 102 THR OG1 : rot -50:sc= 0.221 USER MOD Set 8.1: A 1 GLU N :NH3+ -171:sc= 0.0986! (180deg=-1.12!) USER MOD Set 8.2: A 3 TYR OH : rot 15:sc= 0.0523 USER MOD Single : A 2 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -105:sc= -0.316! (180deg=-4.57!) USER MOD Single : A 9 SER OG : rot -61:sc= 1.11 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= -1.67! (180deg=-2.51!) USER MOD Single : A 33 ASN : amide:sc= 0.666 K(o=0.67,f=-4.5!) USER MOD Single : A 34 ASN : amide:sc= -2.45! C(o=-2.4!,f=-2.2!) USER MOD Single : A 35 LYS NZ :NH3+ -141:sc= -1.24! (180deg=-5.8!) USER MOD Single : A 48 ASN : amide:sc= -2.59! C(o=-2.6!,f=-8.4!) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= 0.561 (180deg=-0.714!) USER MOD Single : A 52 SER OG : rot -124:sc= 1.39 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -170:sc=-0.00145 USER MOD Single : A 70 GLN : amide:sc= -4.77! K(o=-4.8!,f=-6) USER MOD Single : A 71 SER OG : rot -108:sc= -0.646 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 169:sc= 1.64 USER MOD Single : A 85 TYR OH : rot 14:sc= -0.766 USER MOD Single : A 88 TYR OH : rot 31:sc= 0.48 USER MOD Single : A 97 MET CE :methyl 159:sc= -1.05 (180deg=-2.81) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -4.740 -6.852 -14.772 1.00 0.00 N ATOM 2 CA GLU A 1 -4.099 -6.292 -15.995 1.00 0.00 C ATOM 3 C GLU A 1 -3.652 -4.842 -15.754 1.00 0.00 C ATOM 4 O GLU A 1 -3.860 -4.309 -14.690 1.00 0.00 O ATOM 5 CB GLU A 1 -5.112 -6.385 -17.194 1.00 0.00 C ATOM 6 CG GLU A 1 -5.476 -7.905 -17.493 1.00 0.00 C ATOM 7 CD GLU A 1 -4.441 -8.881 -16.985 1.00 0.00 C ATOM 8 OE1 GLU A 1 -4.528 -9.133 -15.813 1.00 0.00 O ATOM 9 OE2 GLU A 1 -3.582 -9.341 -17.692 1.00 0.00 O ATOM 0 H1 GLU A 1 -4.897 -7.872 -14.899 1.00 0.00 H new ATOM 0 H2 GLU A 1 -4.119 -6.697 -13.952 1.00 0.00 H new ATOM 0 H3 GLU A 1 -5.652 -6.379 -14.610 1.00 0.00 H new ATOM 0 HA GLU A 1 -3.208 -6.871 -16.240 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -6.018 -5.827 -16.958 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -4.678 -5.926 -18.082 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -6.438 -8.137 -17.037 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -5.593 -8.038 -18.568 1.00 0.00 H new ATOM 18 N THR A 2 -3.028 -4.246 -16.723 1.00 0.00 N ATOM 19 CA THR A 2 -2.519 -2.818 -16.701 1.00 0.00 C ATOM 20 C THR A 2 -3.536 -1.794 -16.177 1.00 0.00 C ATOM 21 O THR A 2 -4.154 -1.064 -16.924 1.00 0.00 O ATOM 22 CB THR A 2 -2.112 -2.434 -18.125 1.00 0.00 C ATOM 23 OG1 THR A 2 -1.373 -3.572 -18.535 1.00 0.00 O ATOM 24 CG2 THR A 2 -1.049 -1.363 -18.151 1.00 0.00 C ATOM 0 H THR A 2 -2.828 -4.718 -17.605 1.00 0.00 H new ATOM 0 HA THR A 2 -1.678 -2.791 -16.008 1.00 0.00 H new ATOM 0 HB THR A 2 -2.987 -2.120 -18.694 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.054 -3.442 -19.453 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.796 -1.127 -19.185 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.423 -0.467 -17.655 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.160 -1.720 -17.632 1.00 0.00 H new ATOM 32 N TYR A 3 -3.696 -1.772 -14.890 1.00 0.00 N ATOM 33 CA TYR A 3 -4.662 -0.808 -14.251 1.00 0.00 C ATOM 34 C TYR A 3 -3.845 0.361 -13.644 1.00 0.00 C ATOM 35 O TYR A 3 -2.932 0.137 -12.877 1.00 0.00 O ATOM 36 CB TYR A 3 -5.469 -1.544 -13.127 1.00 0.00 C ATOM 37 CG TYR A 3 -6.055 -2.891 -13.586 1.00 0.00 C ATOM 38 CD1 TYR A 3 -6.731 -3.008 -14.784 1.00 0.00 C ATOM 39 CD2 TYR A 3 -5.912 -4.016 -12.793 1.00 0.00 C ATOM 40 CE1 TYR A 3 -7.251 -4.227 -15.178 1.00 0.00 C ATOM 41 CE2 TYR A 3 -6.436 -5.226 -13.194 1.00 0.00 C ATOM 42 CZ TYR A 3 -7.101 -5.332 -14.384 1.00 0.00 C ATOM 43 OH TYR A 3 -7.583 -6.556 -14.773 1.00 0.00 O ATOM 0 H TYR A 3 -3.202 -2.380 -14.237 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.366 -0.425 -14.989 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.816 -1.712 -12.270 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.280 -0.899 -12.788 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.854 -2.142 -15.417 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.386 -3.945 -11.853 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.778 -4.308 -16.117 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.321 -6.096 -12.564 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.794 -6.535 -15.730 1.00 0.00 H new ATOM 53 N THR A 4 -4.175 1.573 -13.982 1.00 0.00 N ATOM 54 CA THR A 4 -3.407 2.754 -13.421 1.00 0.00 C ATOM 55 C THR A 4 -3.979 3.337 -12.129 1.00 0.00 C ATOM 56 O THR A 4 -4.774 4.260 -12.095 1.00 0.00 O ATOM 57 CB THR A 4 -3.345 3.871 -14.468 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.795 3.223 -15.598 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.245 4.873 -14.155 1.00 0.00 C ATOM 0 H THR A 4 -4.936 1.813 -14.617 1.00 0.00 H new ATOM 0 HA THR A 4 -2.419 2.364 -13.176 1.00 0.00 H new ATOM 0 HB THR A 4 -4.320 4.351 -14.550 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.715 3.863 -16.336 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.232 5.650 -14.920 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.431 5.325 -13.181 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.282 4.363 -14.140 1.00 0.00 H new ATOM 67 N VAL A 5 -3.511 2.730 -11.086 1.00 0.00 N ATOM 68 CA VAL A 5 -3.868 3.059 -9.666 1.00 0.00 C ATOM 69 C VAL A 5 -3.235 4.432 -9.286 1.00 0.00 C ATOM 70 O VAL A 5 -2.298 4.888 -9.918 1.00 0.00 O ATOM 71 CB VAL A 5 -3.304 1.894 -8.809 1.00 0.00 C ATOM 72 CG1 VAL A 5 -3.665 2.033 -7.333 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.875 0.543 -9.281 1.00 0.00 C ATOM 0 H VAL A 5 -2.845 1.961 -11.158 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.942 3.154 -9.506 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.222 1.933 -8.930 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.248 1.194 -6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.256 2.966 -6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.749 2.038 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.466 -0.259 -8.667 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.961 0.554 -9.188 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.602 0.377 -10.323 1.00 0.00 H new ATOM 83 N LYS A 6 -3.729 5.100 -8.282 1.00 0.00 N ATOM 84 CA LYS A 6 -3.114 6.432 -7.897 1.00 0.00 C ATOM 85 C LYS A 6 -2.652 6.595 -6.425 1.00 0.00 C ATOM 86 O LYS A 6 -2.994 5.840 -5.538 1.00 0.00 O ATOM 87 CB LYS A 6 -4.156 7.515 -8.281 1.00 0.00 C ATOM 88 CG LYS A 6 -4.242 7.567 -9.838 1.00 0.00 C ATOM 89 CD LYS A 6 -5.571 8.282 -10.249 1.00 0.00 C ATOM 90 CE LYS A 6 -6.325 7.490 -11.341 1.00 0.00 C ATOM 91 NZ LYS A 6 -6.436 6.114 -10.819 1.00 0.00 N ATOM 0 H LYS A 6 -4.519 4.800 -7.710 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.172 6.523 -8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.130 7.276 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.862 8.486 -7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.384 8.103 -10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.213 6.559 -10.251 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.210 8.396 -9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.348 9.285 -10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.309 7.920 -11.529 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.782 7.509 -12.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.760 5.499 -11.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.224 6.111 -9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.402 5.761 -10.972 1.00 0.00 H new ATOM 105 N LEU A 7 -1.861 7.614 -6.252 1.00 0.00 N ATOM 106 CA LEU A 7 -1.248 8.036 -4.945 1.00 0.00 C ATOM 107 C LEU A 7 -1.777 9.467 -4.605 1.00 0.00 C ATOM 108 O LEU A 7 -1.179 10.432 -5.053 1.00 0.00 O ATOM 109 CB LEU A 7 0.333 8.061 -5.103 1.00 0.00 C ATOM 110 CG LEU A 7 0.878 6.963 -6.045 1.00 0.00 C ATOM 111 CD1 LEU A 7 2.300 7.310 -6.475 1.00 0.00 C ATOM 112 CD2 LEU A 7 0.985 5.684 -5.264 1.00 0.00 C ATOM 0 H LEU A 7 -1.591 8.223 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.513 7.344 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.637 9.037 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.790 7.945 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 7 0.216 6.875 -6.907 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.679 6.533 -7.139 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.299 8.266 -6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.939 7.379 -5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.368 4.894 -5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.664 5.827 -4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.000 5.402 -4.891 1.00 0.00 H new ATOM 124 N GLY A 8 -2.850 9.613 -3.866 1.00 0.00 N ATOM 125 CA GLY A 8 -3.360 11.011 -3.535 1.00 0.00 C ATOM 126 C GLY A 8 -4.799 11.365 -3.937 1.00 0.00 C ATOM 127 O GLY A 8 -5.113 11.536 -5.097 1.00 0.00 O ATOM 0 H GLY A 8 -3.398 8.846 -3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.269 11.154 -2.458 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.693 11.731 -4.010 1.00 0.00 H new ATOM 131 N SER A 9 -5.667 11.497 -2.975 1.00 0.00 N ATOM 132 CA SER A 9 -7.106 11.847 -3.281 1.00 0.00 C ATOM 133 C SER A 9 -7.231 13.377 -3.320 1.00 0.00 C ATOM 134 O SER A 9 -7.742 14.004 -2.421 1.00 0.00 O ATOM 135 CB SER A 9 -8.048 11.260 -2.182 1.00 0.00 C ATOM 136 OG SER A 9 -7.537 11.699 -0.922 1.00 0.00 O ATOM 0 H SER A 9 -5.454 11.380 -1.984 1.00 0.00 H new ATOM 0 HA SER A 9 -7.397 11.422 -4.242 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.072 11.606 -2.326 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.069 10.171 -2.232 1.00 0.00 H new ATOM 0 HG SER A 9 -6.628 11.353 -0.799 1.00 0.00 H new ATOM 142 N ASP A 10 -6.721 13.895 -4.398 1.00 0.00 N ATOM 143 CA ASP A 10 -6.687 15.361 -4.730 1.00 0.00 C ATOM 144 C ASP A 10 -6.971 16.449 -3.611 1.00 0.00 C ATOM 145 O ASP A 10 -6.115 17.291 -3.395 1.00 0.00 O ATOM 146 CB ASP A 10 -7.662 15.428 -5.973 1.00 0.00 C ATOM 147 CG ASP A 10 -8.674 16.531 -5.851 1.00 0.00 C ATOM 148 OD1 ASP A 10 -8.312 17.640 -6.193 1.00 0.00 O ATOM 149 OD2 ASP A 10 -9.748 16.208 -5.408 1.00 0.00 O ATOM 0 H ASP A 10 -6.291 13.320 -5.122 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.657 15.672 -4.906 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.078 15.574 -6.882 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.179 14.474 -6.077 1.00 0.00 H new ATOM 154 N LYS A 11 -8.108 16.422 -2.980 1.00 0.00 N ATOM 155 CA LYS A 11 -8.473 17.416 -1.895 1.00 0.00 C ATOM 156 C LYS A 11 -8.614 16.875 -0.434 1.00 0.00 C ATOM 157 O LYS A 11 -8.936 17.640 0.452 1.00 0.00 O ATOM 158 CB LYS A 11 -9.797 18.086 -2.355 1.00 0.00 C ATOM 159 CG LYS A 11 -9.491 19.189 -3.404 1.00 0.00 C ATOM 160 CD LYS A 11 -10.808 19.629 -4.121 1.00 0.00 C ATOM 161 CE LYS A 11 -11.230 18.527 -5.083 1.00 0.00 C ATOM 162 NZ LYS A 11 -12.480 18.950 -5.775 1.00 0.00 N ATOM 0 H LYS A 11 -8.836 15.732 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.630 18.101 -1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.464 17.338 -2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.313 18.519 -1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.029 20.047 -2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.776 18.816 -4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.594 19.813 -3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.651 20.563 -4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.441 18.338 -5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.394 17.595 -4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.780 18.205 -6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.229 19.111 -5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.305 19.830 -6.301 1.00 0.00 H new ATOM 176 N GLY A 12 -8.384 15.605 -0.204 1.00 0.00 N ATOM 177 CA GLY A 12 -8.507 15.027 1.200 1.00 0.00 C ATOM 178 C GLY A 12 -7.289 14.338 1.842 1.00 0.00 C ATOM 179 O GLY A 12 -6.673 14.891 2.728 1.00 0.00 O ATOM 0 H GLY A 12 -8.115 14.931 -0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.811 15.838 1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.322 14.304 1.186 1.00 0.00 H new ATOM 183 N LEU A 13 -6.948 13.155 1.405 1.00 0.00 N ATOM 184 CA LEU A 13 -5.766 12.417 1.996 1.00 0.00 C ATOM 185 C LEU A 13 -4.805 11.796 0.944 1.00 0.00 C ATOM 186 O LEU A 13 -4.995 11.879 -0.257 1.00 0.00 O ATOM 187 CB LEU A 13 -6.352 11.308 2.943 1.00 0.00 C ATOM 188 CG LEU A 13 -5.825 11.367 4.405 1.00 0.00 C ATOM 189 CD1 LEU A 13 -4.301 11.254 4.476 1.00 0.00 C ATOM 190 CD2 LEU A 13 -6.230 12.689 5.054 1.00 0.00 C ATOM 0 H LEU A 13 -7.433 12.656 0.660 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.145 13.133 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.438 11.397 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.118 10.329 2.525 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.266 10.520 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.981 11.300 5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.986 10.305 4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.849 12.076 3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.857 12.721 6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.806 13.518 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.317 12.773 5.061 1.00 0.00 H new ATOM 202 N LEU A 14 -3.782 11.152 1.420 1.00 0.00 N ATOM 203 CA LEU A 14 -2.780 10.504 0.509 1.00 0.00 C ATOM 204 C LEU A 14 -3.199 9.029 0.345 1.00 0.00 C ATOM 205 O LEU A 14 -2.425 8.114 0.506 1.00 0.00 O ATOM 206 CB LEU A 14 -1.382 10.626 1.170 1.00 0.00 C ATOM 207 CG LEU A 14 -1.066 12.061 1.612 1.00 0.00 C ATOM 208 CD1 LEU A 14 0.361 12.069 2.152 1.00 0.00 C ATOM 209 CD2 LEU A 14 -1.131 13.011 0.423 1.00 0.00 C ATOM 0 H LEU A 14 -3.587 11.040 2.415 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.740 10.977 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.333 9.964 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.620 10.289 0.467 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.788 12.383 2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.621 13.076 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.434 11.385 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.048 11.751 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.904 14.024 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.404 12.704 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.132 12.986 -0.009 1.00 0.00 H new ATOM 221 N VAL A 15 -4.435 8.823 0.009 1.00 0.00 N ATOM 222 CA VAL A 15 -4.919 7.412 -0.158 1.00 0.00 C ATOM 223 C VAL A 15 -4.787 6.877 -1.605 1.00 0.00 C ATOM 224 O VAL A 15 -4.480 7.604 -2.534 1.00 0.00 O ATOM 225 CB VAL A 15 -6.402 7.420 0.367 1.00 0.00 C ATOM 226 CG1 VAL A 15 -7.283 8.316 -0.513 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.042 6.022 0.366 1.00 0.00 C ATOM 0 H VAL A 15 -5.130 9.551 -0.157 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.299 6.717 0.409 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.348 7.792 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.305 8.308 -0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.897 9.335 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.274 7.942 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.064 6.090 0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.051 5.627 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.465 5.357 1.009 1.00 0.00 H new ATOM 237 N PHE A 16 -5.026 5.604 -1.703 1.00 0.00 N ATOM 238 CA PHE A 16 -4.966 4.836 -2.995 1.00 0.00 C ATOM 239 C PHE A 16 -6.371 4.286 -3.328 1.00 0.00 C ATOM 240 O PHE A 16 -7.265 4.270 -2.501 1.00 0.00 O ATOM 241 CB PHE A 16 -4.033 3.612 -2.869 1.00 0.00 C ATOM 242 CG PHE A 16 -2.698 3.915 -2.211 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.680 4.512 -2.910 1.00 0.00 C ATOM 244 CD2 PHE A 16 -2.499 3.576 -0.895 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.470 4.765 -2.299 1.00 0.00 C ATOM 246 CE2 PHE A 16 -1.296 3.829 -0.288 1.00 0.00 C ATOM 247 CZ PHE A 16 -0.275 4.423 -0.985 1.00 0.00 C ATOM 0 H PHE A 16 -5.275 5.026 -0.901 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.599 5.514 -3.766 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.542 2.838 -2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.852 3.203 -3.863 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.827 4.785 -3.944 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.295 3.107 -0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.327 5.234 -2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.151 3.558 0.747 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.672 4.619 -0.505 1.00 0.00 H new ATOM 257 N GLU A 17 -6.523 3.829 -4.528 1.00 0.00 N ATOM 258 CA GLU A 17 -7.834 3.262 -4.957 1.00 0.00 C ATOM 259 C GLU A 17 -7.708 1.712 -4.943 1.00 0.00 C ATOM 260 O GLU A 17 -6.655 1.144 -4.712 1.00 0.00 O ATOM 261 CB GLU A 17 -8.108 3.881 -6.350 1.00 0.00 C ATOM 262 CG GLU A 17 -7.054 3.393 -7.400 1.00 0.00 C ATOM 263 CD GLU A 17 -6.981 4.344 -8.564 1.00 0.00 C ATOM 264 OE1 GLU A 17 -6.522 5.431 -8.309 1.00 0.00 O ATOM 265 OE2 GLU A 17 -7.356 4.008 -9.665 1.00 0.00 O ATOM 0 H GLU A 17 -5.794 3.820 -5.242 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.678 3.496 -4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.110 3.609 -6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.080 4.968 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.075 3.312 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.321 2.397 -7.754 1.00 0.00 H new ATOM 272 N PRO A 18 -8.806 1.058 -5.171 1.00 0.00 N ATOM 273 CA PRO A 18 -9.669 0.494 -4.079 1.00 0.00 C ATOM 274 C PRO A 18 -8.965 -0.143 -2.825 1.00 0.00 C ATOM 275 O PRO A 18 -9.363 -1.205 -2.388 1.00 0.00 O ATOM 276 CB PRO A 18 -10.577 -0.475 -4.900 1.00 0.00 C ATOM 277 CG PRO A 18 -9.825 -0.637 -6.266 1.00 0.00 C ATOM 278 CD PRO A 18 -9.297 0.764 -6.534 1.00 0.00 C ATOM 0 HA PRO A 18 -10.198 1.274 -3.532 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.697 -1.433 -4.395 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.576 -0.062 -5.041 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.018 -1.366 -6.198 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.494 -0.974 -7.058 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.507 0.785 -7.285 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.072 1.455 -6.866 1.00 0.00 H new ATOM 286 N ALA A 19 -7.958 0.515 -2.291 1.00 0.00 N ATOM 287 CA ALA A 19 -7.148 0.075 -1.083 1.00 0.00 C ATOM 288 C ALA A 19 -6.315 -1.214 -1.357 1.00 0.00 C ATOM 289 O ALA A 19 -5.099 -1.263 -1.289 1.00 0.00 O ATOM 290 CB ALA A 19 -8.162 -0.110 0.096 1.00 0.00 C ATOM 0 H ALA A 19 -7.638 1.407 -2.670 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.403 0.830 -0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.626 -0.427 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.668 0.835 0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.899 -0.867 -0.173 1.00 0.00 H new ATOM 296 N LYS A 20 -7.047 -2.239 -1.656 1.00 0.00 N ATOM 297 CA LYS A 20 -6.498 -3.592 -1.973 1.00 0.00 C ATOM 298 C LYS A 20 -6.823 -3.950 -3.477 1.00 0.00 C ATOM 299 O LYS A 20 -7.619 -4.859 -3.688 1.00 0.00 O ATOM 300 CB LYS A 20 -7.162 -4.715 -1.207 1.00 0.00 C ATOM 301 CG LYS A 20 -7.306 -4.881 0.273 1.00 0.00 C ATOM 302 CD LYS A 20 -7.992 -6.352 0.403 1.00 0.00 C ATOM 303 CE LYS A 20 -9.135 -6.616 -0.671 1.00 0.00 C ATOM 304 NZ LYS A 20 -8.490 -6.930 -2.001 1.00 0.00 N ATOM 0 H LYS A 20 -8.065 -2.197 -1.697 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.438 -3.526 -1.728 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.180 -4.755 -1.594 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.657 -5.621 -1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.343 -4.837 0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.932 -4.102 0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.221 -7.115 0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.412 -6.461 1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.767 -7.445 -0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.778 -5.741 -0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.046 -7.658 -2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.456 -6.068 -2.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.523 -7.280 -1.844 1.00 0.00 H new ATOM 318 N LEU A 21 -6.292 -3.323 -4.490 1.00 0.00 N ATOM 319 CA LEU A 21 -6.710 -3.792 -5.868 1.00 0.00 C ATOM 320 C LEU A 21 -6.485 -5.326 -5.991 1.00 0.00 C ATOM 321 O LEU A 21 -5.369 -5.811 -5.936 1.00 0.00 O ATOM 322 CB LEU A 21 -5.885 -3.089 -6.961 1.00 0.00 C ATOM 323 CG LEU A 21 -6.627 -3.177 -8.344 1.00 0.00 C ATOM 324 CD1 LEU A 21 -5.662 -2.771 -9.427 1.00 0.00 C ATOM 325 CD2 LEU A 21 -7.181 -4.585 -8.720 1.00 0.00 C ATOM 0 H LEU A 21 -5.626 -2.552 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.764 -3.550 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.726 -2.045 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.901 -3.552 -7.038 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.491 -2.518 -8.252 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.158 -2.826 -10.396 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.324 -1.750 -9.249 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.804 -3.443 -9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.674 -4.535 -9.691 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.359 -5.299 -8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.899 -4.907 -7.965 1.00 0.00 H new ATOM 337 N THR A 22 -7.543 -6.066 -6.144 1.00 0.00 N ATOM 338 CA THR A 22 -7.396 -7.560 -6.277 1.00 0.00 C ATOM 339 C THR A 22 -7.095 -7.898 -7.759 1.00 0.00 C ATOM 340 O THR A 22 -7.935 -8.324 -8.527 1.00 0.00 O ATOM 341 CB THR A 22 -8.726 -8.260 -5.776 1.00 0.00 C ATOM 342 OG1 THR A 22 -8.707 -8.259 -4.342 1.00 0.00 O ATOM 343 CG2 THR A 22 -8.774 -9.760 -6.044 1.00 0.00 C ATOM 0 H THR A 22 -8.500 -5.716 -6.184 1.00 0.00 H new ATOM 0 HA THR A 22 -6.572 -7.927 -5.665 1.00 0.00 H new ATOM 0 HB THR A 22 -9.535 -7.727 -6.276 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.613 -9.178 -4.015 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.715 -10.166 -5.672 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.699 -9.941 -7.116 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.942 -10.247 -5.535 1.00 0.00 H new ATOM 351 N ILE A 23 -5.858 -7.660 -8.111 1.00 0.00 N ATOM 352 CA ILE A 23 -5.320 -7.910 -9.506 1.00 0.00 C ATOM 353 C ILE A 23 -5.264 -9.407 -9.804 1.00 0.00 C ATOM 354 O ILE A 23 -5.531 -10.168 -8.893 1.00 0.00 O ATOM 355 CB ILE A 23 -3.909 -7.270 -9.582 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.847 -7.942 -8.682 1.00 0.00 C ATOM 357 CG2 ILE A 23 -4.042 -5.807 -9.233 1.00 0.00 C ATOM 358 CD1 ILE A 23 -2.196 -9.101 -9.450 1.00 0.00 C ATOM 0 H ILE A 23 -5.160 -7.286 -7.468 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.975 -7.464 -10.255 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.543 -7.413 -10.599 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.090 -7.215 -8.387 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.309 -8.311 -7.766 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.062 -5.332 -9.279 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.714 -5.323 -9.942 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.446 -5.709 -8.226 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.446 -9.579 -8.820 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.959 -9.830 -9.723 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.721 -8.718 -10.353 1.00 0.00 H new ATOM 370 N LYS A 24 -4.924 -9.880 -10.980 1.00 0.00 N ATOM 371 CA LYS A 24 -4.919 -11.348 -11.132 1.00 0.00 C ATOM 372 C LYS A 24 -3.435 -11.790 -11.218 1.00 0.00 C ATOM 373 O LYS A 24 -2.621 -10.978 -11.600 1.00 0.00 O ATOM 374 CB LYS A 24 -5.793 -11.587 -12.404 1.00 0.00 C ATOM 375 CG LYS A 24 -5.192 -10.852 -13.639 1.00 0.00 C ATOM 376 CD LYS A 24 -3.953 -11.645 -14.098 1.00 0.00 C ATOM 377 CE LYS A 24 -2.667 -10.842 -14.300 1.00 0.00 C ATOM 378 NZ LYS A 24 -2.441 -10.616 -15.754 1.00 0.00 N ATOM 0 H LYS A 24 -4.663 -9.333 -11.800 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.337 -11.939 -10.317 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.859 -12.656 -12.609 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.808 -11.233 -12.224 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.926 -10.791 -14.442 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.917 -9.830 -13.379 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.756 -12.426 -13.364 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.195 -12.144 -15.036 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.738 -9.887 -13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.821 -11.377 -13.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.440 -10.385 -15.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.689 -11.477 -16.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.036 -9.828 -16.079 1.00 0.00 H new ATOM 392 N PRO A 25 -3.080 -13.006 -10.896 1.00 0.00 N ATOM 393 CA PRO A 25 -1.637 -13.439 -10.892 1.00 0.00 C ATOM 394 C PRO A 25 -0.639 -12.900 -11.977 1.00 0.00 C ATOM 395 O PRO A 25 -0.218 -13.641 -12.843 1.00 0.00 O ATOM 396 CB PRO A 25 -1.788 -14.998 -10.854 1.00 0.00 C ATOM 397 CG PRO A 25 -3.274 -15.255 -11.251 1.00 0.00 C ATOM 398 CD PRO A 25 -3.992 -14.127 -10.528 1.00 0.00 C ATOM 0 HA PRO A 25 -1.113 -12.982 -10.053 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.102 -15.480 -11.550 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.568 -15.394 -9.863 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.422 -15.208 -12.330 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.620 -16.235 -10.924 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.011 -13.977 -10.886 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.052 -14.286 -9.451 1.00 0.00 H new ATOM 406 N GLY A 26 -0.283 -11.632 -11.952 1.00 0.00 N ATOM 407 CA GLY A 26 0.694 -11.095 -12.991 1.00 0.00 C ATOM 408 C GLY A 26 0.290 -10.065 -14.069 1.00 0.00 C ATOM 409 O GLY A 26 0.129 -10.424 -15.221 1.00 0.00 O ATOM 0 H GLY A 26 -0.615 -10.947 -11.273 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.524 -10.655 -12.438 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.088 -11.961 -13.522 1.00 0.00 H new ATOM 413 N ASP A 27 0.100 -8.830 -13.709 1.00 0.00 N ATOM 414 CA ASP A 27 -0.278 -7.761 -14.697 1.00 0.00 C ATOM 415 C ASP A 27 0.619 -6.478 -14.607 1.00 0.00 C ATOM 416 O ASP A 27 1.565 -6.436 -13.849 1.00 0.00 O ATOM 417 CB ASP A 27 -1.783 -7.433 -14.454 1.00 0.00 C ATOM 418 CG ASP A 27 -2.212 -7.436 -13.017 1.00 0.00 C ATOM 419 OD1 ASP A 27 -1.420 -6.998 -12.222 1.00 0.00 O ATOM 420 OD2 ASP A 27 -3.334 -7.877 -12.853 1.00 0.00 O ATOM 0 H ASP A 27 0.191 -8.499 -12.748 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.113 -8.131 -15.709 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.998 -6.453 -14.879 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.389 -8.157 -14.999 1.00 0.00 H new ATOM 425 N THR A 28 0.296 -5.470 -15.384 1.00 0.00 N ATOM 426 CA THR A 28 1.070 -4.170 -15.399 1.00 0.00 C ATOM 427 C THR A 28 0.363 -2.979 -14.766 1.00 0.00 C ATOM 428 O THR A 28 0.180 -1.898 -15.277 1.00 0.00 O ATOM 429 CB THR A 28 1.423 -3.811 -16.833 1.00 0.00 C ATOM 430 OG1 THR A 28 2.372 -4.805 -17.153 1.00 0.00 O ATOM 431 CG2 THR A 28 2.281 -2.563 -17.001 1.00 0.00 C ATOM 0 H THR A 28 -0.494 -5.489 -16.029 1.00 0.00 H new ATOM 0 HA THR A 28 1.951 -4.359 -14.785 1.00 0.00 H new ATOM 0 HB THR A 28 0.495 -3.699 -17.394 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.234 -4.577 -16.746 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.476 -2.395 -18.060 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.756 -1.702 -16.588 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.226 -2.698 -16.475 1.00 0.00 H new ATOM 439 N VAL A 29 -0.078 -3.250 -13.599 1.00 0.00 N ATOM 440 CA VAL A 29 -0.788 -2.207 -12.782 1.00 0.00 C ATOM 441 C VAL A 29 0.194 -1.019 -12.483 1.00 0.00 C ATOM 442 O VAL A 29 1.255 -1.186 -11.903 1.00 0.00 O ATOM 443 CB VAL A 29 -1.286 -2.917 -11.506 1.00 0.00 C ATOM 444 CG1 VAL A 29 -2.038 -1.928 -10.607 1.00 0.00 C ATOM 445 CG2 VAL A 29 -2.316 -3.966 -11.948 1.00 0.00 C ATOM 0 H VAL A 29 0.013 -4.159 -13.146 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.640 -1.770 -13.303 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.438 -3.344 -10.971 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.384 -2.442 -9.710 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.371 -1.114 -10.324 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.894 -1.524 -11.147 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.696 -4.494 -11.073 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.142 -3.472 -12.460 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.843 -4.678 -12.625 1.00 0.00 H new ATOM 455 N GLU A 30 -0.215 0.147 -12.884 1.00 0.00 N ATOM 456 CA GLU A 30 0.566 1.416 -12.715 1.00 0.00 C ATOM 457 C GLU A 30 0.135 2.320 -11.538 1.00 0.00 C ATOM 458 O GLU A 30 -1.041 2.499 -11.298 1.00 0.00 O ATOM 459 CB GLU A 30 0.441 2.167 -14.058 1.00 0.00 C ATOM 460 CG GLU A 30 1.292 1.442 -15.152 1.00 0.00 C ATOM 461 CD GLU A 30 2.787 1.547 -14.910 1.00 0.00 C ATOM 462 OE1 GLU A 30 3.191 2.526 -14.305 1.00 0.00 O ATOM 463 OE2 GLU A 30 3.427 0.619 -15.359 1.00 0.00 O ATOM 0 H GLU A 30 -1.112 0.286 -13.350 1.00 0.00 H new ATOM 0 HA GLU A 30 1.592 1.154 -12.457 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.604 2.209 -14.366 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.781 3.196 -13.943 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.009 0.390 -15.186 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.057 1.867 -16.128 1.00 0.00 H new ATOM 470 N PHE A 31 1.077 2.873 -10.834 1.00 0.00 N ATOM 471 CA PHE A 31 0.777 3.780 -9.664 1.00 0.00 C ATOM 472 C PHE A 31 1.216 5.261 -9.894 1.00 0.00 C ATOM 473 O PHE A 31 2.381 5.601 -9.790 1.00 0.00 O ATOM 474 CB PHE A 31 1.481 3.165 -8.434 1.00 0.00 C ATOM 475 CG PHE A 31 0.754 1.905 -7.947 1.00 0.00 C ATOM 476 CD1 PHE A 31 0.799 0.741 -8.678 1.00 0.00 C ATOM 477 CD2 PHE A 31 0.047 1.919 -6.765 1.00 0.00 C ATOM 478 CE1 PHE A 31 0.151 -0.396 -8.243 1.00 0.00 C ATOM 479 CE2 PHE A 31 -0.604 0.785 -6.324 1.00 0.00 C ATOM 480 CZ PHE A 31 -0.553 -0.374 -7.063 1.00 0.00 C ATOM 0 H PHE A 31 2.072 2.739 -11.015 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.302 3.838 -9.519 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.512 2.917 -8.688 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.519 3.899 -7.629 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.350 0.717 -9.607 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.002 2.825 -6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.197 -1.302 -8.829 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.155 0.808 -5.396 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.063 -1.261 -6.718 1.00 0.00 H new ATOM 490 N LEU A 32 0.268 6.111 -10.192 1.00 0.00 N ATOM 491 CA LEU A 32 0.534 7.569 -10.453 1.00 0.00 C ATOM 492 C LEU A 32 0.307 8.554 -9.264 1.00 0.00 C ATOM 493 O LEU A 32 -0.639 8.437 -8.513 1.00 0.00 O ATOM 494 CB LEU A 32 -0.357 7.910 -11.686 1.00 0.00 C ATOM 495 CG LEU A 32 -0.120 9.339 -12.231 1.00 0.00 C ATOM 496 CD1 LEU A 32 -0.589 9.360 -13.685 1.00 0.00 C ATOM 497 CD2 LEU A 32 -1.029 10.347 -11.510 1.00 0.00 C ATOM 0 H LEU A 32 -0.715 5.851 -10.269 1.00 0.00 H new ATOM 0 HA LEU A 32 1.601 7.711 -10.625 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.161 7.188 -12.479 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.406 7.803 -11.409 1.00 0.00 H new ATOM 0 HG LEU A 32 0.932 9.593 -12.101 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.436 10.355 -14.102 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.018 8.633 -14.262 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.648 9.107 -13.729 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.849 11.347 -11.905 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.072 10.075 -11.670 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.811 10.335 -10.442 1.00 0.00 H new ATOM 509 N ASN A 33 1.168 9.526 -9.110 1.00 0.00 N ATOM 510 CA ASN A 33 1.006 10.519 -7.971 1.00 0.00 C ATOM 511 C ASN A 33 0.186 11.807 -8.279 1.00 0.00 C ATOM 512 O ASN A 33 0.338 12.433 -9.307 1.00 0.00 O ATOM 513 CB ASN A 33 2.423 10.906 -7.486 1.00 0.00 C ATOM 514 CG ASN A 33 3.253 11.517 -8.574 1.00 0.00 C ATOM 515 OD1 ASN A 33 3.332 12.710 -8.723 1.00 0.00 O ATOM 516 ND2 ASN A 33 3.911 10.783 -9.387 1.00 0.00 N ATOM 0 H ASN A 33 1.976 9.686 -9.712 1.00 0.00 H new ATOM 0 HA ASN A 33 0.411 10.011 -7.212 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.341 11.609 -6.657 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.928 10.019 -7.103 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.472 11.213 -10.122 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.875 9.767 -9.300 1.00 0.00 H new ATOM 523 N ASN A 34 -0.663 12.156 -7.348 1.00 0.00 N ATOM 524 CA ASN A 34 -1.535 13.372 -7.486 1.00 0.00 C ATOM 525 C ASN A 34 -1.472 14.408 -6.317 1.00 0.00 C ATOM 526 O ASN A 34 -2.407 14.528 -5.549 1.00 0.00 O ATOM 527 CB ASN A 34 -2.962 12.788 -7.717 1.00 0.00 C ATOM 528 CG ASN A 34 -4.048 13.845 -7.689 1.00 0.00 C ATOM 529 OD1 ASN A 34 -3.977 14.901 -8.274 1.00 0.00 O ATOM 530 ND2 ASN A 34 -5.113 13.616 -7.014 1.00 0.00 N ATOM 0 H ASN A 34 -0.795 11.641 -6.477 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.184 13.993 -8.310 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.987 12.275 -8.678 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.171 12.041 -6.951 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.858 14.312 -6.986 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.215 12.738 -6.505 1.00 0.00 H new ATOM 537 N LYS A 35 -0.356 15.097 -6.240 1.00 0.00 N ATOM 538 CA LYS A 35 -0.021 16.178 -5.215 1.00 0.00 C ATOM 539 C LYS A 35 0.803 15.694 -3.979 1.00 0.00 C ATOM 540 O LYS A 35 1.299 14.589 -3.949 1.00 0.00 O ATOM 541 CB LYS A 35 -1.351 16.869 -4.712 1.00 0.00 C ATOM 542 CG LYS A 35 -2.139 17.434 -5.923 1.00 0.00 C ATOM 543 CD LYS A 35 -3.557 17.776 -5.416 1.00 0.00 C ATOM 544 CE LYS A 35 -4.526 17.826 -6.579 1.00 0.00 C ATOM 545 NZ LYS A 35 -5.850 18.069 -5.964 1.00 0.00 N ATOM 0 H LYS A 35 0.407 14.946 -6.900 1.00 0.00 H new ATOM 0 HA LYS A 35 0.623 16.880 -5.744 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.964 16.148 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.113 17.672 -4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.648 18.321 -6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.183 16.703 -6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.883 17.029 -4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.546 18.736 -4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.263 18.620 -7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.517 16.892 -7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.572 17.510 -6.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.824 17.789 -4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.085 19.080 -6.035 1.00 0.00 H new ATOM 559 N VAL A 36 0.916 16.552 -2.995 1.00 0.00 N ATOM 560 CA VAL A 36 1.679 16.281 -1.705 1.00 0.00 C ATOM 561 C VAL A 36 2.779 15.159 -1.772 1.00 0.00 C ATOM 562 O VAL A 36 2.604 14.052 -1.298 1.00 0.00 O ATOM 563 CB VAL A 36 0.607 15.948 -0.623 1.00 0.00 C ATOM 564 CG1 VAL A 36 1.265 15.845 0.769 1.00 0.00 C ATOM 565 CG2 VAL A 36 -0.446 17.066 -0.533 1.00 0.00 C ATOM 0 H VAL A 36 0.493 17.480 -3.024 1.00 0.00 H new ATOM 0 HA VAL A 36 2.261 17.173 -1.472 1.00 0.00 H new ATOM 0 HB VAL A 36 0.143 15.005 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.505 15.612 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.017 15.056 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.739 16.794 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.183 16.811 0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.041 18.004 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.943 17.176 -1.497 1.00 0.00 H new ATOM 575 N PRO A 37 3.898 15.493 -2.380 1.00 0.00 N ATOM 576 CA PRO A 37 4.957 14.495 -2.733 1.00 0.00 C ATOM 577 C PRO A 37 5.954 14.108 -1.578 1.00 0.00 C ATOM 578 O PRO A 37 5.824 14.523 -0.441 1.00 0.00 O ATOM 579 CB PRO A 37 5.599 15.188 -3.952 1.00 0.00 C ATOM 580 CG PRO A 37 5.644 16.658 -3.465 1.00 0.00 C ATOM 581 CD PRO A 37 4.265 16.876 -2.808 1.00 0.00 C ATOM 0 HA PRO A 37 4.565 13.499 -2.938 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.592 14.796 -4.174 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.001 15.071 -4.856 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.455 16.818 -2.754 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.805 17.348 -4.293 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.320 17.563 -1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.541 17.291 -3.509 1.00 0.00 H new ATOM 589 N PRO A 38 6.934 13.289 -1.889 1.00 0.00 N ATOM 590 CA PRO A 38 6.993 12.403 -3.094 1.00 0.00 C ATOM 591 C PRO A 38 6.399 11.007 -2.769 1.00 0.00 C ATOM 592 O PRO A 38 6.499 10.525 -1.659 1.00 0.00 O ATOM 593 CB PRO A 38 8.475 12.453 -3.390 1.00 0.00 C ATOM 594 CG PRO A 38 9.094 12.326 -1.961 1.00 0.00 C ATOM 595 CD PRO A 38 8.160 13.174 -1.053 1.00 0.00 C ATOM 0 HA PRO A 38 6.402 12.694 -3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.788 11.640 -4.044 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.763 13.384 -3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.128 11.287 -1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.117 12.701 -1.937 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.960 12.682 -0.101 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.590 14.149 -0.823 1.00 0.00 H new ATOM 603 N HIS A 39 5.801 10.356 -3.729 1.00 0.00 N ATOM 604 CA HIS A 39 5.213 8.999 -3.416 1.00 0.00 C ATOM 605 C HIS A 39 5.893 7.768 -4.034 1.00 0.00 C ATOM 606 O HIS A 39 5.410 7.157 -4.961 1.00 0.00 O ATOM 607 CB HIS A 39 3.723 9.018 -3.826 1.00 0.00 C ATOM 608 CG HIS A 39 2.979 10.184 -3.194 1.00 0.00 C ATOM 609 ND1 HIS A 39 2.552 10.269 -1.936 1.00 0.00 N ATOM 610 CD2 HIS A 39 2.654 11.322 -3.887 1.00 0.00 C ATOM 611 CE1 HIS A 39 1.976 11.457 -1.887 1.00 0.00 C ATOM 612 NE2 HIS A 39 2.045 12.052 -3.023 1.00 0.00 N ATOM 0 H HIS A 39 5.690 10.681 -4.689 1.00 0.00 H new ATOM 0 HA HIS A 39 5.375 8.866 -2.346 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.645 9.082 -4.911 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.252 8.081 -3.528 1.00 0.00 H new ATOM 0 HD1 HIS A 39 2.647 9.581 -1.189 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.862 11.552 -4.922 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.508 11.873 -1.007 1.00 0.00 H new ATOM 620 N ASN A 40 7.013 7.440 -3.471 1.00 0.00 N ATOM 621 CA ASN A 40 7.801 6.257 -3.950 1.00 0.00 C ATOM 622 C ASN A 40 7.278 5.081 -3.109 1.00 0.00 C ATOM 623 O ASN A 40 7.317 5.166 -1.897 1.00 0.00 O ATOM 624 CB ASN A 40 9.280 6.538 -3.664 1.00 0.00 C ATOM 625 CG ASN A 40 10.153 5.347 -4.001 1.00 0.00 C ATOM 626 OD1 ASN A 40 10.272 4.965 -5.135 1.00 0.00 O ATOM 627 ND2 ASN A 40 10.796 4.713 -3.090 1.00 0.00 N ATOM 0 H ASN A 40 7.431 7.942 -2.687 1.00 0.00 H new ATOM 0 HA ASN A 40 7.700 6.047 -5.015 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.605 7.402 -4.243 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.405 6.794 -2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.382 3.916 -3.340 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.722 5.006 -2.116 1.00 0.00 H new ATOM 634 N VAL A 41 6.803 4.035 -3.722 1.00 0.00 N ATOM 635 CA VAL A 41 6.306 2.913 -2.864 1.00 0.00 C ATOM 636 C VAL A 41 7.275 1.745 -2.789 1.00 0.00 C ATOM 637 O VAL A 41 7.776 1.178 -3.738 1.00 0.00 O ATOM 638 CB VAL A 41 4.945 2.374 -3.366 1.00 0.00 C ATOM 639 CG1 VAL A 41 3.872 3.464 -3.212 1.00 0.00 C ATOM 640 CG2 VAL A 41 4.984 1.972 -4.851 1.00 0.00 C ATOM 0 H VAL A 41 6.736 3.904 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 41 6.200 3.345 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 41 4.716 1.492 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.914 3.084 -3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.786 3.744 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.154 4.338 -3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.005 1.601 -5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.245 2.840 -5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.729 1.190 -4.997 1.00 0.00 H new ATOM 650 N VAL A 42 7.512 1.402 -1.575 1.00 0.00 N ATOM 651 CA VAL A 42 8.426 0.288 -1.243 1.00 0.00 C ATOM 652 C VAL A 42 7.534 -0.856 -0.717 1.00 0.00 C ATOM 653 O VAL A 42 6.547 -0.620 -0.047 1.00 0.00 O ATOM 654 CB VAL A 42 9.455 0.845 -0.193 1.00 0.00 C ATOM 655 CG1 VAL A 42 10.515 1.698 -0.936 1.00 0.00 C ATOM 656 CG2 VAL A 42 8.772 1.869 0.704 1.00 0.00 C ATOM 0 H VAL A 42 7.098 1.861 -0.764 1.00 0.00 H new ATOM 0 HA VAL A 42 9.004 -0.103 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 42 9.865 -0.004 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.235 2.090 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.033 1.078 -1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.023 2.526 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.489 2.252 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.396 2.692 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.942 1.397 1.229 1.00 0.00 H new ATOM 666 N PHE A 43 7.872 -2.079 -1.024 1.00 0.00 N ATOM 667 CA PHE A 43 7.024 -3.205 -0.535 1.00 0.00 C ATOM 668 C PHE A 43 7.434 -3.640 0.878 1.00 0.00 C ATOM 669 O PHE A 43 8.511 -3.331 1.358 1.00 0.00 O ATOM 670 CB PHE A 43 7.148 -4.359 -1.572 1.00 0.00 C ATOM 671 CG PHE A 43 6.130 -4.173 -2.714 1.00 0.00 C ATOM 672 CD1 PHE A 43 6.159 -3.068 -3.543 1.00 0.00 C ATOM 673 CD2 PHE A 43 5.161 -5.132 -2.934 1.00 0.00 C ATOM 674 CE1 PHE A 43 5.241 -2.924 -4.564 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.242 -4.992 -3.954 1.00 0.00 C ATOM 676 CZ PHE A 43 4.282 -3.887 -4.771 1.00 0.00 C ATOM 0 H PHE A 43 8.683 -2.345 -1.582 1.00 0.00 H new ATOM 0 HA PHE A 43 5.982 -2.897 -0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.159 -4.383 -1.979 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.980 -5.317 -1.080 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.910 -2.307 -3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.122 -6.004 -2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.276 -2.053 -5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.490 -5.752 -4.111 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.564 -3.776 -5.571 1.00 0.00 H new ATOM 686 N ASP A 44 6.533 -4.332 1.508 1.00 0.00 N ATOM 687 CA ASP A 44 6.780 -4.821 2.891 1.00 0.00 C ATOM 688 C ASP A 44 7.290 -6.291 3.017 1.00 0.00 C ATOM 689 O ASP A 44 7.117 -7.155 2.175 1.00 0.00 O ATOM 690 CB ASP A 44 5.428 -4.567 3.611 1.00 0.00 C ATOM 691 CG ASP A 44 5.684 -4.306 5.062 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.877 -5.312 5.707 1.00 0.00 O ATOM 693 OD2 ASP A 44 5.682 -3.137 5.406 1.00 0.00 O ATOM 0 H ASP A 44 5.624 -4.584 1.120 1.00 0.00 H new ATOM 0 HA ASP A 44 7.617 -4.291 3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.917 -3.716 3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.773 -5.430 3.495 1.00 0.00 H new ATOM 698 N ALA A 45 7.904 -6.501 4.141 1.00 0.00 N ATOM 699 CA ALA A 45 8.509 -7.800 4.536 1.00 0.00 C ATOM 700 C ALA A 45 7.673 -8.630 5.544 1.00 0.00 C ATOM 701 O ALA A 45 7.799 -9.832 5.642 1.00 0.00 O ATOM 702 CB ALA A 45 9.891 -7.437 5.085 1.00 0.00 C ATOM 0 H ALA A 45 8.018 -5.775 4.848 1.00 0.00 H new ATOM 0 HA ALA A 45 8.559 -8.467 3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.407 -8.344 5.401 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.472 -6.941 4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.779 -6.768 5.938 1.00 0.00 H new ATOM 708 N ALA A 46 6.824 -7.957 6.258 1.00 0.00 N ATOM 709 CA ALA A 46 5.951 -8.616 7.273 1.00 0.00 C ATOM 710 C ALA A 46 4.515 -8.718 6.732 1.00 0.00 C ATOM 711 O ALA A 46 3.791 -9.652 7.016 1.00 0.00 O ATOM 712 CB ALA A 46 6.041 -7.758 8.543 1.00 0.00 C ATOM 0 H ALA A 46 6.691 -6.949 6.182 1.00 0.00 H new ATOM 0 HA ALA A 46 6.267 -9.635 7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.418 -8.196 9.323 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.076 -7.720 8.884 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.693 -6.748 8.325 1.00 0.00 H new ATOM 718 N LEU A 47 4.139 -7.751 5.955 1.00 0.00 N ATOM 719 CA LEU A 47 2.763 -7.737 5.363 1.00 0.00 C ATOM 720 C LEU A 47 2.759 -8.243 3.885 1.00 0.00 C ATOM 721 O LEU A 47 2.099 -7.686 3.029 1.00 0.00 O ATOM 722 CB LEU A 47 2.273 -6.265 5.503 1.00 0.00 C ATOM 723 CG LEU A 47 2.605 -5.681 6.893 1.00 0.00 C ATOM 724 CD1 LEU A 47 2.176 -4.229 6.895 1.00 0.00 C ATOM 725 CD2 LEU A 47 1.813 -6.403 7.985 1.00 0.00 C ATOM 0 H LEU A 47 4.725 -6.957 5.696 1.00 0.00 H new ATOM 0 HA LEU A 47 2.090 -8.422 5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.738 -5.652 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.196 -6.223 5.339 1.00 0.00 H new ATOM 0 HG LEU A 47 3.671 -5.795 7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.397 -3.786 7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.716 -3.689 6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.105 -4.166 6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.061 -5.977 8.957 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.746 -6.285 7.799 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.067 -7.463 7.978 1.00 0.00 H new ATOM 737 N ASN A 48 3.489 -9.287 3.599 1.00 0.00 N ATOM 738 CA ASN A 48 3.540 -9.845 2.193 1.00 0.00 C ATOM 739 C ASN A 48 3.040 -11.324 2.212 1.00 0.00 C ATOM 740 O ASN A 48 2.835 -11.823 3.298 1.00 0.00 O ATOM 741 CB ASN A 48 5.028 -9.679 1.715 1.00 0.00 C ATOM 742 CG ASN A 48 6.014 -10.602 2.396 1.00 0.00 C ATOM 743 OD1 ASN A 48 5.890 -11.802 2.453 1.00 0.00 O ATOM 744 ND2 ASN A 48 7.044 -10.071 2.927 1.00 0.00 N ATOM 0 H ASN A 48 4.061 -9.790 4.277 1.00 0.00 H new ATOM 0 HA ASN A 48 2.888 -9.324 1.492 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.072 -9.851 0.640 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.338 -8.648 1.885 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.741 -10.657 3.387 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.172 -9.060 2.892 1.00 0.00 H new ATOM 751 N PRO A 49 2.840 -12.021 1.113 1.00 0.00 N ATOM 752 CA PRO A 49 2.280 -13.413 1.170 1.00 0.00 C ATOM 753 C PRO A 49 2.959 -14.339 2.219 1.00 0.00 C ATOM 754 O PRO A 49 2.458 -14.548 3.311 1.00 0.00 O ATOM 755 CB PRO A 49 2.411 -13.884 -0.310 1.00 0.00 C ATOM 756 CG PRO A 49 3.527 -12.958 -0.877 1.00 0.00 C ATOM 757 CD PRO A 49 3.127 -11.609 -0.286 1.00 0.00 C ATOM 0 HA PRO A 49 1.252 -13.447 1.530 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.688 -14.936 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.474 -13.767 -0.855 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.521 -13.269 -0.556 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.534 -12.943 -1.967 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.928 -10.872 -0.348 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.257 -11.178 -0.781 1.00 0.00 H new ATOM 765 N ALA A 50 4.102 -14.834 1.841 1.00 0.00 N ATOM 766 CA ALA A 50 4.920 -15.757 2.697 1.00 0.00 C ATOM 767 C ALA A 50 6.011 -15.021 3.524 1.00 0.00 C ATOM 768 O ALA A 50 7.171 -15.366 3.483 1.00 0.00 O ATOM 769 CB ALA A 50 5.518 -16.786 1.722 1.00 0.00 C ATOM 0 H ALA A 50 4.526 -14.631 0.936 1.00 0.00 H new ATOM 0 HA ALA A 50 4.302 -16.232 3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.131 -17.498 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.713 -17.318 1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.134 -16.273 0.984 1.00 0.00 H new ATOM 775 N LYS A 51 5.545 -14.033 4.236 1.00 0.00 N ATOM 776 CA LYS A 51 6.375 -13.137 5.143 1.00 0.00 C ATOM 777 C LYS A 51 7.930 -13.259 4.998 1.00 0.00 C ATOM 778 O LYS A 51 8.653 -13.493 5.947 1.00 0.00 O ATOM 779 CB LYS A 51 5.876 -13.462 6.612 1.00 0.00 C ATOM 780 CG LYS A 51 4.566 -12.693 6.993 1.00 0.00 C ATOM 781 CD LYS A 51 3.428 -12.997 5.976 1.00 0.00 C ATOM 782 CE LYS A 51 2.169 -12.159 6.198 1.00 0.00 C ATOM 783 NZ LYS A 51 1.267 -12.425 5.050 1.00 0.00 N ATOM 0 H LYS A 51 4.556 -13.783 4.234 1.00 0.00 H new ATOM 0 HA LYS A 51 6.217 -12.097 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.702 -14.534 6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.662 -13.206 7.323 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.249 -12.980 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.762 -11.621 7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.798 -12.821 4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.167 -14.053 6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.687 -12.427 7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.416 -11.099 6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.310 -12.086 5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.622 -11.929 4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.237 -13.447 4.862 1.00 0.00 H new ATOM 797 N SER A 52 8.369 -13.084 3.779 1.00 0.00 N ATOM 798 CA SER A 52 9.847 -13.169 3.450 1.00 0.00 C ATOM 799 C SER A 52 10.494 -11.839 2.963 1.00 0.00 C ATOM 800 O SER A 52 9.901 -10.777 3.047 1.00 0.00 O ATOM 801 CB SER A 52 10.028 -14.278 2.376 1.00 0.00 C ATOM 802 OG SER A 52 11.433 -14.555 2.390 1.00 0.00 O ATOM 0 H SER A 52 7.769 -12.883 2.979 1.00 0.00 H new ATOM 0 HA SER A 52 10.369 -13.401 4.378 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.445 -15.166 2.619 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.699 -13.939 1.394 1.00 0.00 H new ATOM 0 HG SER A 52 11.797 -14.446 1.487 1.00 0.00 H new ATOM 808 N ALA A 53 11.694 -11.929 2.455 1.00 0.00 N ATOM 809 CA ALA A 53 12.478 -10.751 1.944 1.00 0.00 C ATOM 810 C ALA A 53 12.731 -10.667 0.402 1.00 0.00 C ATOM 811 O ALA A 53 12.447 -9.646 -0.191 1.00 0.00 O ATOM 812 CB ALA A 53 13.805 -10.785 2.733 1.00 0.00 C ATOM 0 H ALA A 53 12.192 -12.815 2.367 1.00 0.00 H new ATOM 0 HA ALA A 53 11.881 -9.853 2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.437 -9.955 2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.597 -10.698 3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.320 -11.726 2.539 1.00 0.00 H new ATOM 818 N ASP A 54 13.245 -11.708 -0.189 1.00 0.00 N ATOM 819 CA ASP A 54 13.548 -11.772 -1.660 1.00 0.00 C ATOM 820 C ASP A 54 12.646 -10.871 -2.563 1.00 0.00 C ATOM 821 O ASP A 54 13.006 -9.769 -2.952 1.00 0.00 O ATOM 822 CB ASP A 54 13.457 -13.306 -1.989 1.00 0.00 C ATOM 823 CG ASP A 54 12.170 -13.911 -1.471 1.00 0.00 C ATOM 824 OD1 ASP A 54 12.124 -14.104 -0.274 1.00 0.00 O ATOM 825 OD2 ASP A 54 11.305 -14.131 -2.291 1.00 0.00 O ATOM 0 H ASP A 54 13.482 -12.565 0.310 1.00 0.00 H new ATOM 0 HA ASP A 54 14.529 -11.354 -1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.520 -13.452 -3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.308 -13.825 -1.547 1.00 0.00 H new ATOM 830 N LEU A 55 11.479 -11.365 -2.864 1.00 0.00 N ATOM 831 CA LEU A 55 10.532 -10.587 -3.718 1.00 0.00 C ATOM 832 C LEU A 55 10.086 -9.340 -2.937 1.00 0.00 C ATOM 833 O LEU A 55 10.153 -8.253 -3.470 1.00 0.00 O ATOM 834 CB LEU A 55 9.319 -11.481 -4.077 1.00 0.00 C ATOM 835 CG LEU A 55 8.301 -10.641 -4.896 1.00 0.00 C ATOM 836 CD1 LEU A 55 8.891 -10.225 -6.252 1.00 0.00 C ATOM 837 CD2 LEU A 55 7.062 -11.461 -5.181 1.00 0.00 C ATOM 0 H LEU A 55 11.137 -12.275 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 55 11.012 -10.273 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.646 -12.346 -4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.850 -11.862 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 55 8.061 -9.758 -4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.157 -9.638 -6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.787 -9.626 -6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.149 -11.116 -6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.354 -10.863 -5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.336 -12.348 -5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.602 -11.764 -4.240 1.00 0.00 H new ATOM 849 N ALA A 56 9.644 -9.534 -1.720 1.00 0.00 N ATOM 850 CA ALA A 56 9.181 -8.410 -0.827 1.00 0.00 C ATOM 851 C ALA A 56 9.993 -7.103 -1.090 1.00 0.00 C ATOM 852 O ALA A 56 9.477 -6.036 -1.359 1.00 0.00 O ATOM 853 CB ALA A 56 9.335 -8.942 0.620 1.00 0.00 C ATOM 0 H ALA A 56 9.580 -10.456 -1.288 1.00 0.00 H new ATOM 0 HA ALA A 56 8.146 -8.129 -1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.016 -8.175 1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.719 -9.832 0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.379 -9.194 0.806 1.00 0.00 H new ATOM 859 N LYS A 57 11.284 -7.240 -1.012 1.00 0.00 N ATOM 860 CA LYS A 57 12.193 -6.083 -1.246 1.00 0.00 C ATOM 861 C LYS A 57 12.285 -5.907 -2.758 1.00 0.00 C ATOM 862 O LYS A 57 12.106 -4.799 -3.221 1.00 0.00 O ATOM 863 CB LYS A 57 13.594 -6.412 -0.630 1.00 0.00 C ATOM 864 CG LYS A 57 14.490 -5.151 -0.328 1.00 0.00 C ATOM 865 CD LYS A 57 14.372 -4.018 -1.398 1.00 0.00 C ATOM 866 CE LYS A 57 14.888 -4.358 -2.811 1.00 0.00 C ATOM 867 NZ LYS A 57 14.166 -3.441 -3.755 1.00 0.00 N ATOM 0 H LYS A 57 11.757 -8.117 -0.793 1.00 0.00 H new ATOM 0 HA LYS A 57 11.830 -5.166 -0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.448 -6.968 0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 57 14.132 -7.068 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.215 -4.747 0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 57 15.531 -5.466 -0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.324 -3.729 -1.477 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.917 -3.146 -1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.966 -4.213 -2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.691 -5.402 -3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.517 -3.995 -4.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.624 -2.740 -3.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.856 -2.951 -4.359 1.00 0.00 H new ATOM 881 N SER A 58 12.573 -6.943 -3.505 1.00 0.00 N ATOM 882 CA SER A 58 12.664 -6.806 -5.014 1.00 0.00 C ATOM 883 C SER A 58 11.640 -5.750 -5.490 1.00 0.00 C ATOM 884 O SER A 58 11.995 -4.760 -6.098 1.00 0.00 O ATOM 885 CB SER A 58 12.365 -8.158 -5.655 1.00 0.00 C ATOM 886 OG SER A 58 12.777 -7.938 -7.000 1.00 0.00 O ATOM 0 H SER A 58 12.751 -7.882 -3.147 1.00 0.00 H new ATOM 0 HA SER A 58 13.665 -6.486 -5.304 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.923 -8.967 -5.183 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.309 -8.418 -5.588 1.00 0.00 H new ATOM 0 HG SER A 58 12.633 -8.754 -7.524 1.00 0.00 H new ATOM 892 N LEU A 59 10.415 -6.022 -5.121 1.00 0.00 N ATOM 893 CA LEU A 59 9.226 -5.172 -5.440 1.00 0.00 C ATOM 894 C LEU A 59 9.363 -3.687 -4.980 1.00 0.00 C ATOM 895 O LEU A 59 9.026 -2.779 -5.712 1.00 0.00 O ATOM 896 CB LEU A 59 7.990 -5.828 -4.777 1.00 0.00 C ATOM 897 CG LEU A 59 7.662 -7.185 -5.410 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.437 -7.746 -4.695 1.00 0.00 C ATOM 899 CD2 LEU A 59 7.283 -7.006 -6.888 1.00 0.00 C ATOM 0 H LEU A 59 10.178 -6.852 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 59 9.128 -5.125 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.175 -5.959 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.131 -5.164 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 59 8.528 -7.842 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.177 -8.714 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.658 -7.866 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.599 -7.059 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.053 -7.978 -7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.410 -6.358 -6.964 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.117 -6.555 -7.426 1.00 0.00 H new ATOM 911 N SER A 60 9.830 -3.435 -3.776 1.00 0.00 N ATOM 912 CA SER A 60 9.971 -1.979 -3.338 1.00 0.00 C ATOM 913 C SER A 60 10.731 -1.093 -4.372 1.00 0.00 C ATOM 914 O SER A 60 11.783 -1.491 -4.845 1.00 0.00 O ATOM 915 CB SER A 60 10.758 -1.886 -2.001 1.00 0.00 C ATOM 916 OG SER A 60 11.990 -2.453 -2.406 1.00 0.00 O ATOM 0 H SER A 60 10.114 -4.136 -3.091 1.00 0.00 H new ATOM 0 HA SER A 60 8.950 -1.610 -3.236 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.866 -0.860 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.284 -2.449 -1.197 1.00 0.00 H new ATOM 0 HG SER A 60 11.908 -3.429 -2.433 1.00 0.00 H new ATOM 922 N HIS A 61 10.203 0.064 -4.675 1.00 0.00 N ATOM 923 CA HIS A 61 10.872 0.978 -5.660 1.00 0.00 C ATOM 924 C HIS A 61 11.827 1.998 -4.965 1.00 0.00 C ATOM 925 O HIS A 61 11.838 2.143 -3.762 1.00 0.00 O ATOM 926 CB HIS A 61 9.739 1.690 -6.438 1.00 0.00 C ATOM 927 CG HIS A 61 10.331 2.400 -7.646 1.00 0.00 C ATOM 928 ND1 HIS A 61 10.871 1.789 -8.638 1.00 0.00 N ATOM 929 CD2 HIS A 61 10.444 3.733 -7.965 1.00 0.00 C ATOM 930 CE1 HIS A 61 11.293 2.653 -9.511 1.00 0.00 C ATOM 931 NE2 HIS A 61 11.045 3.879 -9.128 1.00 0.00 N ATOM 0 H HIS A 61 9.332 0.421 -4.282 1.00 0.00 H new ATOM 0 HA HIS A 61 11.510 0.409 -6.336 1.00 0.00 H new ATOM 0 HB2 HIS A 61 8.990 0.965 -6.758 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.233 2.407 -5.792 1.00 0.00 H new ATOM 0 HD1 HIS A 61 10.956 0.776 -8.727 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.090 4.546 -7.349 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.786 2.392 -10.436 1.00 0.00 H new ATOM 939 N LYS A 62 12.588 2.682 -5.768 1.00 0.00 N ATOM 940 CA LYS A 62 13.596 3.713 -5.316 1.00 0.00 C ATOM 941 C LYS A 62 13.757 4.209 -3.833 1.00 0.00 C ATOM 942 O LYS A 62 14.220 3.498 -2.967 1.00 0.00 O ATOM 943 CB LYS A 62 13.377 4.936 -6.261 1.00 0.00 C ATOM 944 CG LYS A 62 13.871 4.657 -7.694 1.00 0.00 C ATOM 945 CD LYS A 62 13.627 5.945 -8.568 1.00 0.00 C ATOM 946 CE LYS A 62 14.133 7.238 -7.892 1.00 0.00 C ATOM 947 NZ LYS A 62 15.575 7.005 -7.552 1.00 0.00 N ATOM 0 H LYS A 62 12.558 2.569 -6.781 1.00 0.00 H new ATOM 0 HA LYS A 62 14.533 3.159 -5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.317 5.189 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.902 5.803 -5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.930 4.400 -7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.340 3.805 -8.118 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.126 5.825 -9.529 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.561 6.042 -8.773 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.025 8.093 -8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.554 7.459 -6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.102 7.896 -7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.650 6.660 -6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.974 6.296 -8.200 1.00 0.00 H new ATOM 961 N GLN A 63 13.398 5.442 -3.604 1.00 0.00 N ATOM 962 CA GLN A 63 13.481 6.102 -2.258 1.00 0.00 C ATOM 963 C GLN A 63 12.277 7.045 -2.145 1.00 0.00 C ATOM 964 O GLN A 63 11.259 6.856 -1.524 1.00 0.00 O ATOM 965 CB GLN A 63 14.885 6.880 -2.145 1.00 0.00 C ATOM 966 CG GLN A 63 16.143 5.990 -2.464 1.00 0.00 C ATOM 967 CD GLN A 63 16.271 5.565 -3.927 1.00 0.00 C ATOM 968 OE1 GLN A 63 16.082 6.297 -4.881 1.00 0.00 O ATOM 969 NE2 GLN A 63 16.603 4.353 -4.188 1.00 0.00 N ATOM 0 H GLN A 63 13.030 6.054 -4.332 1.00 0.00 H new ATOM 0 HA GLN A 63 13.446 5.384 -1.438 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.873 7.730 -2.827 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.985 7.282 -1.137 1.00 0.00 H new ATOM 0 HG2 GLN A 63 17.041 6.539 -2.179 1.00 0.00 H new ATOM 0 HG3 GLN A 63 16.105 5.096 -1.842 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.774 3.696 -3.427 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.696 4.047 -5.157 1.00 0.00 H new ATOM 978 N LEU A 64 12.522 8.064 -2.876 1.00 0.00 N ATOM 979 CA LEU A 64 11.613 9.236 -3.062 1.00 0.00 C ATOM 980 C LEU A 64 11.194 9.351 -4.557 1.00 0.00 C ATOM 981 O LEU A 64 11.974 9.083 -5.454 1.00 0.00 O ATOM 982 CB LEU A 64 12.379 10.504 -2.591 1.00 0.00 C ATOM 983 CG LEU A 64 12.869 10.366 -1.134 1.00 0.00 C ATOM 984 CD1 LEU A 64 13.617 11.644 -0.763 1.00 0.00 C ATOM 985 CD2 LEU A 64 11.691 10.242 -0.173 1.00 0.00 C ATOM 0 H LEU A 64 13.389 8.153 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 64 10.700 9.120 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.232 10.679 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.729 11.375 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 64 13.498 9.479 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 64 13.974 11.571 0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.466 11.777 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.946 12.498 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.062 10.146 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.064 11.131 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.103 9.361 -0.430 1.00 0.00 H new ATOM 997 N LEU A 65 9.970 9.741 -4.773 1.00 0.00 N ATOM 998 CA LEU A 65 9.412 9.905 -6.166 1.00 0.00 C ATOM 999 C LEU A 65 9.081 11.383 -6.534 1.00 0.00 C ATOM 1000 O LEU A 65 7.967 11.845 -6.358 1.00 0.00 O ATOM 1001 CB LEU A 65 8.146 9.001 -6.249 1.00 0.00 C ATOM 1002 CG LEU A 65 7.512 9.044 -7.658 1.00 0.00 C ATOM 1003 CD1 LEU A 65 8.466 8.428 -8.678 1.00 0.00 C ATOM 1004 CD2 LEU A 65 6.253 8.189 -7.658 1.00 0.00 C ATOM 0 H LEU A 65 9.307 9.961 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 65 10.166 9.607 -6.895 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.414 7.974 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.415 9.328 -5.510 1.00 0.00 H new ATOM 0 HG LEU A 65 7.295 10.081 -7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.012 8.462 -9.668 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.400 8.989 -8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.668 7.392 -8.407 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.797 8.212 -8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.511 7.162 -7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.548 8.580 -6.925 1.00 0.00 H new ATOM 1016 N MET A 66 10.052 12.091 -7.035 1.00 0.00 N ATOM 1017 CA MET A 66 9.853 13.535 -7.430 1.00 0.00 C ATOM 1018 C MET A 66 9.461 13.624 -8.926 1.00 0.00 C ATOM 1019 O MET A 66 10.007 14.335 -9.745 1.00 0.00 O ATOM 1020 CB MET A 66 11.146 14.252 -7.191 1.00 0.00 C ATOM 1021 CG MET A 66 11.529 14.257 -5.696 1.00 0.00 C ATOM 1022 SD MET A 66 10.397 15.114 -4.575 1.00 0.00 S ATOM 1023 CE MET A 66 11.127 16.764 -4.716 1.00 0.00 C ATOM 0 H MET A 66 10.994 11.735 -7.195 1.00 0.00 H new ATOM 0 HA MET A 66 9.054 13.987 -6.843 1.00 0.00 H new ATOM 0 HB2 MET A 66 11.938 13.775 -7.768 1.00 0.00 H new ATOM 0 HB3 MET A 66 11.064 15.278 -7.549 1.00 0.00 H new ATOM 0 HG2 MET A 66 11.620 13.223 -5.364 1.00 0.00 H new ATOM 0 HG3 MET A 66 12.515 14.711 -5.598 1.00 0.00 H new ATOM 0 HE1 MET A 66 10.570 17.463 -4.091 1.00 0.00 H new ATOM 0 HE2 MET A 66 12.166 16.732 -4.387 1.00 0.00 H new ATOM 0 HE3 MET A 66 11.085 17.093 -5.754 1.00 0.00 H new ATOM 1033 N SER A 67 8.464 12.851 -9.175 1.00 0.00 N ATOM 1034 CA SER A 67 7.838 12.693 -10.540 1.00 0.00 C ATOM 1035 C SER A 67 6.417 13.315 -10.680 1.00 0.00 C ATOM 1036 O SER A 67 5.440 12.605 -10.841 1.00 0.00 O ATOM 1037 CB SER A 67 7.787 11.185 -10.849 1.00 0.00 C ATOM 1038 OG SER A 67 9.125 10.734 -10.623 1.00 0.00 O ATOM 0 H SER A 67 8.017 12.280 -8.458 1.00 0.00 H new ATOM 0 HA SER A 67 8.454 13.244 -11.251 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.078 10.670 -10.201 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.473 11.000 -11.876 1.00 0.00 H new ATOM 0 HG SER A 67 9.219 9.814 -10.948 1.00 0.00 H new ATOM 1044 N PRO A 68 6.335 14.630 -10.618 1.00 0.00 N ATOM 1045 CA PRO A 68 5.044 15.396 -10.458 1.00 0.00 C ATOM 1046 C PRO A 68 3.907 15.063 -11.471 1.00 0.00 C ATOM 1047 O PRO A 68 3.733 15.735 -12.470 1.00 0.00 O ATOM 1048 CB PRO A 68 5.526 16.872 -10.501 1.00 0.00 C ATOM 1049 CG PRO A 68 6.827 16.779 -11.341 1.00 0.00 C ATOM 1050 CD PRO A 68 7.505 15.553 -10.734 1.00 0.00 C ATOM 0 HA PRO A 68 4.530 15.126 -9.535 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.789 17.526 -10.967 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.716 17.266 -9.502 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.619 16.647 -12.403 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.440 17.675 -11.245 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.289 15.151 -11.376 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.963 15.767 -9.768 1.00 0.00 H new ATOM 1058 N GLY A 69 3.164 14.029 -11.201 1.00 0.00 N ATOM 1059 CA GLY A 69 2.028 13.600 -12.107 1.00 0.00 C ATOM 1060 C GLY A 69 2.312 12.340 -12.929 1.00 0.00 C ATOM 1061 O GLY A 69 1.565 12.004 -13.822 1.00 0.00 O ATOM 0 H GLY A 69 3.287 13.441 -10.376 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.140 13.429 -11.499 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.795 14.418 -12.789 1.00 0.00 H new ATOM 1065 N GLN A 70 3.381 11.655 -12.634 1.00 0.00 N ATOM 1066 CA GLN A 70 3.708 10.401 -13.406 1.00 0.00 C ATOM 1067 C GLN A 70 3.490 9.103 -12.585 1.00 0.00 C ATOM 1068 O GLN A 70 3.201 9.131 -11.401 1.00 0.00 O ATOM 1069 CB GLN A 70 5.189 10.489 -13.885 1.00 0.00 C ATOM 1070 CG GLN A 70 5.436 11.798 -14.720 1.00 0.00 C ATOM 1071 CD GLN A 70 6.027 12.899 -13.855 1.00 0.00 C ATOM 1072 OE1 GLN A 70 7.142 12.823 -13.399 1.00 0.00 O ATOM 1073 NE2 GLN A 70 5.360 13.952 -13.573 1.00 0.00 N ATOM 0 H GLN A 70 4.045 11.899 -11.899 1.00 0.00 H new ATOM 0 HA GLN A 70 3.024 10.342 -14.253 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.855 10.473 -13.022 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.431 9.616 -14.491 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.110 11.582 -15.549 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.496 12.138 -15.154 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.412 14.067 -13.933 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.775 14.677 -12.988 1.00 0.00 H new ATOM 1082 N SER A 71 3.633 7.994 -13.261 1.00 0.00 N ATOM 1083 CA SER A 71 3.451 6.639 -12.615 1.00 0.00 C ATOM 1084 C SER A 71 4.680 5.731 -12.510 1.00 0.00 C ATOM 1085 O SER A 71 5.651 5.873 -13.227 1.00 0.00 O ATOM 1086 CB SER A 71 2.388 5.834 -13.386 1.00 0.00 C ATOM 1087 OG SER A 71 2.213 4.651 -12.608 1.00 0.00 O ATOM 0 H SER A 71 3.872 7.959 -14.252 1.00 0.00 H new ATOM 0 HA SER A 71 3.174 6.900 -11.593 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.456 6.391 -13.479 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.721 5.600 -14.397 1.00 0.00 H new ATOM 0 HG SER A 71 2.610 3.888 -13.078 1.00 0.00 H new ATOM 1093 N THR A 72 4.567 4.828 -11.587 1.00 0.00 N ATOM 1094 CA THR A 72 5.635 3.806 -11.315 1.00 0.00 C ATOM 1095 C THR A 72 4.995 2.467 -11.720 1.00 0.00 C ATOM 1096 O THR A 72 3.817 2.270 -11.479 1.00 0.00 O ATOM 1097 CB THR A 72 6.010 3.781 -9.817 1.00 0.00 C ATOM 1098 OG1 THR A 72 6.867 2.659 -9.716 1.00 0.00 O ATOM 1099 CG2 THR A 72 4.895 3.401 -8.881 1.00 0.00 C ATOM 0 H THR A 72 3.751 4.744 -10.981 1.00 0.00 H new ATOM 0 HA THR A 72 6.553 4.021 -11.861 1.00 0.00 H new ATOM 0 HB THR A 72 6.375 4.773 -9.550 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.165 2.558 -8.788 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.261 3.413 -7.855 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.076 4.113 -8.983 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.539 2.401 -9.127 1.00 0.00 H new ATOM 1107 N SER A 73 5.754 1.576 -12.287 1.00 0.00 N ATOM 1108 CA SER A 73 5.155 0.254 -12.718 1.00 0.00 C ATOM 1109 C SER A 73 5.227 -0.903 -11.734 1.00 0.00 C ATOM 1110 O SER A 73 6.252 -1.171 -11.142 1.00 0.00 O ATOM 1111 CB SER A 73 5.840 -0.213 -14.004 1.00 0.00 C ATOM 1112 OG SER A 73 5.101 -1.375 -14.395 1.00 0.00 O ATOM 0 H SER A 73 6.750 1.688 -12.475 1.00 0.00 H new ATOM 0 HA SER A 73 4.095 0.484 -12.827 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.808 0.557 -14.775 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.890 -0.448 -13.833 1.00 0.00 H new ATOM 0 HG SER A 73 4.280 -1.101 -14.854 1.00 0.00 H new ATOM 1118 N THR A 74 4.125 -1.580 -11.588 1.00 0.00 N ATOM 1119 CA THR A 74 4.066 -2.761 -10.644 1.00 0.00 C ATOM 1120 C THR A 74 3.933 -4.032 -11.478 1.00 0.00 C ATOM 1121 O THR A 74 3.292 -4.991 -11.102 1.00 0.00 O ATOM 1122 CB THR A 74 2.842 -2.674 -9.726 1.00 0.00 C ATOM 1123 OG1 THR A 74 2.710 -1.292 -9.479 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.175 -3.108 -8.322 1.00 0.00 C ATOM 0 H THR A 74 3.253 -1.377 -12.077 1.00 0.00 H new ATOM 0 HA THR A 74 4.970 -2.766 -10.034 1.00 0.00 H new ATOM 0 HB THR A 74 2.023 -3.236 -10.175 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.848 -1.118 -9.047 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.285 -3.034 -7.697 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.525 -4.140 -8.334 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.956 -2.464 -7.918 1.00 0.00 H new ATOM 1132 N THR A 75 4.545 -4.003 -12.626 1.00 0.00 N ATOM 1133 CA THR A 75 4.497 -5.201 -13.549 1.00 0.00 C ATOM 1134 C THR A 75 4.959 -6.521 -12.931 1.00 0.00 C ATOM 1135 O THR A 75 6.126 -6.735 -12.670 1.00 0.00 O ATOM 1136 CB THR A 75 5.344 -4.921 -14.789 1.00 0.00 C ATOM 1137 OG1 THR A 75 4.566 -3.950 -15.459 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.246 -6.027 -15.824 1.00 0.00 C ATOM 0 H THR A 75 5.080 -3.209 -12.978 1.00 0.00 H new ATOM 0 HA THR A 75 3.442 -5.334 -13.789 1.00 0.00 H new ATOM 0 HB THR A 75 6.372 -4.723 -14.486 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.755 -3.064 -15.085 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.867 -5.777 -16.684 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.591 -6.965 -15.388 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.210 -6.135 -16.144 1.00 0.00 H new ATOM 1146 N PHE A 76 4.001 -7.370 -12.727 1.00 0.00 N ATOM 1147 CA PHE A 76 4.214 -8.729 -12.132 1.00 0.00 C ATOM 1148 C PHE A 76 4.365 -9.849 -13.234 1.00 0.00 C ATOM 1149 O PHE A 76 3.408 -10.539 -13.528 1.00 0.00 O ATOM 1150 CB PHE A 76 3.001 -8.964 -11.212 1.00 0.00 C ATOM 1151 CG PHE A 76 3.107 -8.184 -9.892 1.00 0.00 C ATOM 1152 CD1 PHE A 76 4.076 -8.506 -8.966 1.00 0.00 C ATOM 1153 CD2 PHE A 76 2.233 -7.158 -9.602 1.00 0.00 C ATOM 1154 CE1 PHE A 76 4.175 -7.819 -7.775 1.00 0.00 C ATOM 1155 CE2 PHE A 76 2.331 -6.469 -8.411 1.00 0.00 C ATOM 1156 CZ PHE A 76 3.302 -6.797 -7.495 1.00 0.00 C ATOM 0 H PHE A 76 3.027 -7.174 -12.958 1.00 0.00 H new ATOM 0 HA PHE A 76 5.149 -8.779 -11.574 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.090 -8.669 -11.733 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.913 -10.029 -10.996 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.768 -9.308 -9.177 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.465 -6.891 -10.313 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.940 -8.085 -7.061 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.640 -5.667 -8.197 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.378 -6.256 -6.564 1.00 0.00 H new ATOM 1166 N PRO A 77 5.543 -9.996 -13.814 1.00 0.00 N ATOM 1167 CA PRO A 77 5.796 -10.789 -15.068 1.00 0.00 C ATOM 1168 C PRO A 77 4.838 -11.943 -15.490 1.00 0.00 C ATOM 1169 O PRO A 77 4.491 -12.047 -16.651 1.00 0.00 O ATOM 1170 CB PRO A 77 7.269 -11.264 -14.881 1.00 0.00 C ATOM 1171 CG PRO A 77 7.775 -10.599 -13.560 1.00 0.00 C ATOM 1172 CD PRO A 77 6.822 -9.439 -13.293 1.00 0.00 C ATOM 0 HA PRO A 77 5.594 -10.141 -15.921 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.323 -12.351 -14.816 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.885 -10.965 -15.729 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.767 -11.311 -12.735 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.801 -10.247 -13.667 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.762 -9.190 -12.233 1.00 0.00 H new ATOM 0 HD3 PRO A 77 7.120 -8.531 -13.817 1.00 0.00 H new ATOM 1180 N ALA A 78 4.484 -12.726 -14.511 1.00 0.00 N ATOM 1181 CA ALA A 78 3.570 -13.947 -14.557 1.00 0.00 C ATOM 1182 C ALA A 78 4.084 -15.011 -13.538 1.00 0.00 C ATOM 1183 O ALA A 78 4.092 -16.214 -13.729 1.00 0.00 O ATOM 1184 CB ALA A 78 3.563 -14.551 -16.001 1.00 0.00 C ATOM 0 H ALA A 78 4.826 -12.558 -13.565 1.00 0.00 H new ATOM 0 HA ALA A 78 2.554 -13.653 -14.294 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.909 -15.422 -16.028 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.200 -13.803 -16.706 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.575 -14.848 -16.276 1.00 0.00 H new ATOM 1190 N ASP A 79 4.495 -14.421 -12.463 1.00 0.00 N ATOM 1191 CA ASP A 79 5.061 -15.056 -11.246 1.00 0.00 C ATOM 1192 C ASP A 79 4.064 -14.867 -10.054 1.00 0.00 C ATOM 1193 O ASP A 79 3.513 -15.800 -9.504 1.00 0.00 O ATOM 1194 CB ASP A 79 6.462 -14.330 -11.099 1.00 0.00 C ATOM 1195 CG ASP A 79 6.327 -12.819 -10.940 1.00 0.00 C ATOM 1196 OD1 ASP A 79 5.732 -12.223 -11.817 1.00 0.00 O ATOM 1197 OD2 ASP A 79 6.812 -12.335 -9.946 1.00 0.00 O ATOM 0 H ASP A 79 4.455 -13.406 -12.374 1.00 0.00 H new ATOM 0 HA ASP A 79 5.205 -16.136 -11.283 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.989 -14.737 -10.236 1.00 0.00 H new ATOM 0 HB3 ASP A 79 7.073 -14.546 -11.976 1.00 0.00 H new ATOM 1202 N ALA A 80 3.916 -13.612 -9.735 1.00 0.00 N ATOM 1203 CA ALA A 80 3.047 -13.029 -8.659 1.00 0.00 C ATOM 1204 C ALA A 80 1.713 -13.754 -8.250 1.00 0.00 C ATOM 1205 O ALA A 80 0.670 -13.417 -8.781 1.00 0.00 O ATOM 1206 CB ALA A 80 2.814 -11.605 -9.148 1.00 0.00 C ATOM 0 H ALA A 80 4.424 -12.884 -10.238 1.00 0.00 H new ATOM 0 HA ALA A 80 3.565 -13.133 -7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.184 -11.074 -8.435 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.771 -11.091 -9.240 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.320 -11.630 -10.119 1.00 0.00 H new ATOM 1212 N PRO A 81 1.772 -14.703 -7.341 1.00 0.00 N ATOM 1213 CA PRO A 81 0.595 -15.463 -6.819 1.00 0.00 C ATOM 1214 C PRO A 81 0.150 -15.093 -5.360 1.00 0.00 C ATOM 1215 O PRO A 81 0.618 -14.131 -4.779 1.00 0.00 O ATOM 1216 CB PRO A 81 1.115 -16.860 -7.010 1.00 0.00 C ATOM 1217 CG PRO A 81 2.595 -16.718 -6.462 1.00 0.00 C ATOM 1218 CD PRO A 81 3.006 -15.224 -6.703 1.00 0.00 C ATOM 0 HA PRO A 81 -0.349 -15.257 -7.323 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.537 -17.594 -6.448 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.091 -17.168 -8.055 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.644 -16.970 -5.403 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.270 -17.397 -6.983 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.244 -14.705 -5.775 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.878 -15.133 -7.351 1.00 0.00 H new ATOM 1226 N ALA A 82 -0.734 -15.882 -4.830 1.00 0.00 N ATOM 1227 CA ALA A 82 -1.316 -15.742 -3.449 1.00 0.00 C ATOM 1228 C ALA A 82 -1.376 -14.309 -2.818 1.00 0.00 C ATOM 1229 O ALA A 82 -0.825 -14.013 -1.772 1.00 0.00 O ATOM 1230 CB ALA A 82 -0.498 -16.727 -2.590 1.00 0.00 C ATOM 0 H ALA A 82 -1.111 -16.685 -5.334 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.382 -15.964 -3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.854 -16.694 -1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.616 -17.737 -2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.555 -16.448 -2.619 1.00 0.00 H new ATOM 1236 N GLY A 83 -2.085 -13.470 -3.517 1.00 0.00 N ATOM 1237 CA GLY A 83 -2.361 -12.026 -3.222 1.00 0.00 C ATOM 1238 C GLY A 83 -1.979 -11.208 -1.996 1.00 0.00 C ATOM 1239 O GLY A 83 -2.017 -10.008 -2.126 1.00 0.00 O ATOM 0 H GLY A 83 -2.536 -13.765 -4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.933 -11.482 -4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.444 -11.928 -3.296 1.00 0.00 H new ATOM 1243 N GLU A 84 -1.624 -11.711 -0.857 1.00 0.00 N ATOM 1244 CA GLU A 84 -1.286 -10.763 0.270 1.00 0.00 C ATOM 1245 C GLU A 84 -0.038 -9.839 0.038 1.00 0.00 C ATOM 1246 O GLU A 84 0.964 -9.947 0.705 1.00 0.00 O ATOM 1247 CB GLU A 84 -1.105 -11.640 1.563 1.00 0.00 C ATOM 1248 CG GLU A 84 -1.698 -10.890 2.818 1.00 0.00 C ATOM 1249 CD GLU A 84 -0.700 -10.565 3.903 1.00 0.00 C ATOM 1250 OE1 GLU A 84 0.197 -9.783 3.657 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -0.877 -11.130 4.959 1.00 0.00 O ATOM 0 H GLU A 84 -1.549 -12.705 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.106 -10.050 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.606 -12.599 1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.048 -11.851 1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.160 -9.962 2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.490 -11.503 3.247 1.00 0.00 H new ATOM 1258 N TYR A 85 -0.049 -8.898 -0.873 1.00 0.00 N ATOM 1259 CA TYR A 85 1.171 -8.014 -1.087 1.00 0.00 C ATOM 1260 C TYR A 85 0.999 -6.623 -0.415 1.00 0.00 C ATOM 1261 O TYR A 85 -0.122 -6.200 -0.241 1.00 0.00 O ATOM 1262 CB TYR A 85 1.363 -7.800 -2.599 1.00 0.00 C ATOM 1263 CG TYR A 85 1.593 -9.034 -3.476 1.00 0.00 C ATOM 1264 CD1 TYR A 85 1.322 -10.317 -3.062 1.00 0.00 C ATOM 1265 CD2 TYR A 85 2.080 -8.843 -4.754 1.00 0.00 C ATOM 1266 CE1 TYR A 85 1.531 -11.381 -3.899 1.00 0.00 C ATOM 1267 CE2 TYR A 85 2.288 -9.919 -5.591 1.00 0.00 C ATOM 1268 CZ TYR A 85 2.011 -11.182 -5.158 1.00 0.00 C ATOM 1269 OH TYR A 85 2.201 -12.259 -5.973 1.00 0.00 O ATOM 0 H TYR A 85 -0.841 -8.693 -1.483 1.00 0.00 H new ATOM 0 HA TYR A 85 2.032 -8.509 -0.639 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.482 -7.281 -2.977 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.212 -7.130 -2.736 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.940 -10.488 -2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.300 -7.844 -5.100 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.314 -12.383 -3.559 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.670 -9.761 -6.589 1.00 0.00 H new ATOM 0 HH TYR A 85 1.752 -13.042 -5.591 1.00 0.00 H new ATOM 1279 N THR A 86 2.043 -5.937 -0.036 1.00 0.00 N ATOM 1280 CA THR A 86 1.833 -4.569 0.606 1.00 0.00 C ATOM 1281 C THR A 86 2.881 -3.542 0.219 1.00 0.00 C ATOM 1282 O THR A 86 4.061 -3.806 0.342 1.00 0.00 O ATOM 1283 CB THR A 86 1.879 -4.580 2.142 1.00 0.00 C ATOM 1284 OG1 THR A 86 0.873 -5.490 2.532 1.00 0.00 O ATOM 1285 CG2 THR A 86 1.211 -3.342 2.704 1.00 0.00 C ATOM 0 H THR A 86 3.013 -6.237 -0.131 1.00 0.00 H new ATOM 0 HA THR A 86 0.843 -4.307 0.233 1.00 0.00 H new ATOM 0 HB THR A 86 2.913 -4.737 2.450 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.270 -6.205 3.071 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.254 -3.368 3.793 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.728 -2.453 2.342 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.170 -3.312 2.382 1.00 0.00 H new ATOM 1293 N PHE A 87 2.428 -2.416 -0.242 1.00 0.00 N ATOM 1294 CA PHE A 87 3.317 -1.296 -0.656 1.00 0.00 C ATOM 1295 C PHE A 87 3.116 0.008 0.124 1.00 0.00 C ATOM 1296 O PHE A 87 2.037 0.559 0.137 1.00 0.00 O ATOM 1297 CB PHE A 87 3.127 -0.979 -2.154 1.00 0.00 C ATOM 1298 CG PHE A 87 1.750 -1.318 -2.656 1.00 0.00 C ATOM 1299 CD1 PHE A 87 1.517 -2.601 -3.049 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.751 -0.385 -2.730 1.00 0.00 C ATOM 1301 CE1 PHE A 87 0.295 -2.968 -3.519 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -0.487 -0.743 -3.205 1.00 0.00 C ATOM 1303 CZ PHE A 87 -0.726 -2.038 -3.604 1.00 0.00 C ATOM 0 H PHE A 87 1.434 -2.216 -0.354 1.00 0.00 H new ATOM 0 HA PHE A 87 4.323 -1.655 -0.439 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.319 0.081 -2.323 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.866 -1.533 -2.734 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.309 -3.333 -2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.936 0.631 -2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.121 -3.988 -3.827 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.275 -0.006 -3.265 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.698 -2.325 -3.979 1.00 0.00 H new ATOM 1313 N TYR A 88 4.122 0.501 0.767 1.00 0.00 N ATOM 1314 CA TYR A 88 3.972 1.762 1.522 1.00 0.00 C ATOM 1315 C TYR A 88 4.784 2.876 0.866 1.00 0.00 C ATOM 1316 O TYR A 88 5.861 2.680 0.340 1.00 0.00 O ATOM 1317 CB TYR A 88 4.428 1.536 2.986 1.00 0.00 C ATOM 1318 CG TYR A 88 5.771 0.826 3.074 1.00 0.00 C ATOM 1319 CD1 TYR A 88 5.819 -0.527 2.871 1.00 0.00 C ATOM 1320 CD2 TYR A 88 6.939 1.501 3.347 1.00 0.00 C ATOM 1321 CE1 TYR A 88 7.011 -1.201 2.938 1.00 0.00 C ATOM 1322 CE2 TYR A 88 8.143 0.811 3.413 1.00 0.00 C ATOM 1323 CZ TYR A 88 8.181 -0.549 3.207 1.00 0.00 C ATOM 1324 OH TYR A 88 9.355 -1.259 3.280 1.00 0.00 O ATOM 0 H TYR A 88 5.051 0.082 0.803 1.00 0.00 H new ATOM 0 HA TYR A 88 2.925 2.066 1.518 1.00 0.00 H new ATOM 0 HB2 TYR A 88 4.495 2.498 3.495 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.675 0.949 3.511 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.910 -1.068 2.656 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.920 2.568 3.510 1.00 0.00 H new ATOM 0 HE1 TYR A 88 7.025 -2.269 2.775 1.00 0.00 H new ATOM 0 HE2 TYR A 88 9.056 1.346 3.628 1.00 0.00 H new ATOM 0 HH TYR A 88 9.309 -2.030 2.677 1.00 0.00 H new ATOM 1334 N CYS A 89 4.240 4.045 0.909 1.00 0.00 N ATOM 1335 CA CYS A 89 4.946 5.211 0.301 1.00 0.00 C ATOM 1336 C CYS A 89 6.011 5.703 1.303 1.00 0.00 C ATOM 1337 O CYS A 89 5.775 6.665 1.999 1.00 0.00 O ATOM 1338 CB CYS A 89 3.853 6.205 0.030 1.00 0.00 C ATOM 1339 SG CYS A 89 4.298 7.798 -0.680 1.00 0.00 S ATOM 0 H CYS A 89 3.338 4.255 1.336 1.00 0.00 H new ATOM 0 HA CYS A 89 5.484 5.001 -0.623 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.134 5.733 -0.639 1.00 0.00 H new ATOM 0 HB3 CYS A 89 3.336 6.394 0.971 1.00 0.00 H new ATOM 0 HG CYS A 89 3.796 8.752 0.046 1.00 0.00 H new ATOM 1344 N GLU A 90 7.118 5.009 1.349 1.00 0.00 N ATOM 1345 CA GLU A 90 8.278 5.329 2.273 1.00 0.00 C ATOM 1346 C GLU A 90 8.162 6.661 3.107 1.00 0.00 C ATOM 1347 O GLU A 90 7.832 6.554 4.279 1.00 0.00 O ATOM 1348 CB GLU A 90 9.546 5.239 1.323 1.00 0.00 C ATOM 1349 CG GLU A 90 10.888 5.387 2.129 1.00 0.00 C ATOM 1350 CD GLU A 90 11.306 6.829 2.385 1.00 0.00 C ATOM 1351 OE1 GLU A 90 11.734 7.434 1.418 1.00 0.00 O ATOM 1352 OE2 GLU A 90 11.169 7.217 3.527 1.00 0.00 O ATOM 0 H GLU A 90 7.283 4.193 0.760 1.00 0.00 H new ATOM 0 HA GLU A 90 8.326 4.623 3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.540 4.284 0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.489 6.020 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.782 4.876 3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 90 11.684 4.881 1.583 1.00 0.00 H new ATOM 1359 N PRO A 91 8.370 7.836 2.541 1.00 0.00 N ATOM 1360 CA PRO A 91 8.469 9.124 3.317 1.00 0.00 C ATOM 1361 C PRO A 91 7.139 9.534 4.009 1.00 0.00 C ATOM 1362 O PRO A 91 7.046 10.437 4.819 1.00 0.00 O ATOM 1363 CB PRO A 91 8.947 10.107 2.247 1.00 0.00 C ATOM 1364 CG PRO A 91 8.199 9.578 0.991 1.00 0.00 C ATOM 1365 CD PRO A 91 8.525 8.083 1.081 1.00 0.00 C ATOM 0 HA PRO A 91 9.145 9.067 4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.676 11.136 2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.029 10.083 2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.127 9.772 1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.567 10.028 0.069 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.841 7.477 0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.533 7.861 0.732 1.00 0.00 H new ATOM 1373 N HIS A 92 6.116 8.826 3.631 1.00 0.00 N ATOM 1374 CA HIS A 92 4.718 9.017 4.143 1.00 0.00 C ATOM 1375 C HIS A 92 4.246 7.780 4.986 1.00 0.00 C ATOM 1376 O HIS A 92 3.585 7.927 5.991 1.00 0.00 O ATOM 1377 CB HIS A 92 3.769 9.232 2.899 1.00 0.00 C ATOM 1378 CG HIS A 92 4.164 10.408 1.960 1.00 0.00 C ATOM 1379 ND1 HIS A 92 3.706 10.543 0.708 1.00 0.00 N ATOM 1380 CD2 HIS A 92 5.003 11.475 2.251 1.00 0.00 C ATOM 1381 CE1 HIS A 92 4.257 11.659 0.272 1.00 0.00 C ATOM 1382 NE2 HIS A 92 5.004 12.192 1.169 1.00 0.00 N ATOM 0 H HIS A 92 6.192 8.075 2.945 1.00 0.00 H new ATOM 0 HA HIS A 92 4.685 9.885 4.802 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.749 8.312 2.314 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.755 9.402 3.261 1.00 0.00 H new ATOM 0 HD2 HIS A 92 5.535 11.666 3.171 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.100 12.071 -0.714 1.00 0.00 H new ATOM 0 HE2 HIS A 92 5.527 13.060 1.048 1.00 0.00 H new ATOM 1390 N ARG A 93 4.613 6.602 4.534 1.00 0.00 N ATOM 1391 CA ARG A 93 4.272 5.253 5.165 1.00 0.00 C ATOM 1392 C ARG A 93 3.330 5.295 6.409 1.00 0.00 C ATOM 1393 O ARG A 93 2.167 5.614 6.268 1.00 0.00 O ATOM 1394 CB ARG A 93 5.678 4.551 5.494 1.00 0.00 C ATOM 1395 CG ARG A 93 5.586 3.022 6.026 1.00 0.00 C ATOM 1396 CD ARG A 93 7.010 2.612 6.484 1.00 0.00 C ATOM 1397 NE ARG A 93 7.165 1.132 6.842 1.00 0.00 N ATOM 1398 CZ ARG A 93 6.501 0.112 6.453 1.00 0.00 C ATOM 1399 NH1 ARG A 93 5.314 -0.094 6.781 1.00 0.00 N ATOM 1400 NH2 ARG A 93 7.078 -0.721 5.732 1.00 0.00 N ATOM 0 H ARG A 93 5.178 6.504 3.690 1.00 0.00 H new ATOM 0 HA ARG A 93 3.674 4.683 4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.292 4.568 4.594 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.196 5.148 6.245 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.878 2.943 6.851 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.230 2.360 5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.716 2.856 5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.285 3.212 7.351 1.00 0.00 H new ATOM 0 HE ARG A 93 7.920 0.927 7.497 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.830 0.568 7.387 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.828 -0.925 6.443 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.053 -0.579 5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.576 -1.546 5.404 1.00 0.00 H new ATOM 1414 N GLY A 94 3.864 4.973 7.557 1.00 0.00 N ATOM 1415 CA GLY A 94 3.118 4.951 8.879 1.00 0.00 C ATOM 1416 C GLY A 94 1.958 5.925 9.090 1.00 0.00 C ATOM 1417 O GLY A 94 0.867 5.529 9.433 1.00 0.00 O ATOM 0 H GLY A 94 4.844 4.707 7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 94 2.731 3.942 9.022 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.846 5.129 9.671 1.00 0.00 H new ATOM 1421 N ALA A 95 2.248 7.173 8.880 1.00 0.00 N ATOM 1422 CA ALA A 95 1.224 8.258 9.052 1.00 0.00 C ATOM 1423 C ALA A 95 0.785 8.950 7.755 1.00 0.00 C ATOM 1424 O ALA A 95 0.347 10.085 7.739 1.00 0.00 O ATOM 1425 CB ALA A 95 1.860 9.245 10.018 1.00 0.00 C ATOM 0 H ALA A 95 3.168 7.503 8.590 1.00 0.00 H new ATOM 0 HA ALA A 95 0.294 7.827 9.423 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.173 10.072 10.198 1.00 0.00 H new ATOM 0 HB2 ALA A 95 2.078 8.743 10.961 1.00 0.00 H new ATOM 0 HB3 ALA A 95 2.786 9.629 9.589 1.00 0.00 H new ATOM 1431 N GLY A 96 0.922 8.224 6.692 1.00 0.00 N ATOM 1432 CA GLY A 96 0.534 8.787 5.357 1.00 0.00 C ATOM 1433 C GLY A 96 -0.151 7.890 4.353 1.00 0.00 C ATOM 1434 O GLY A 96 -1.239 8.217 3.927 1.00 0.00 O ATOM 0 H GLY A 96 1.282 7.270 6.677 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.121 9.639 5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.439 9.174 4.888 1.00 0.00 H new ATOM 1438 N MET A 97 0.470 6.790 3.999 1.00 0.00 N ATOM 1439 CA MET A 97 -0.184 5.878 2.975 1.00 0.00 C ATOM 1440 C MET A 97 0.397 4.460 2.610 1.00 0.00 C ATOM 1441 O MET A 97 1.493 4.317 2.086 1.00 0.00 O ATOM 1442 CB MET A 97 -0.307 6.736 1.679 1.00 0.00 C ATOM 1443 CG MET A 97 1.063 7.107 1.131 1.00 0.00 C ATOM 1444 SD MET A 97 1.172 8.533 0.024 1.00 0.00 S ATOM 1445 CE MET A 97 0.187 7.863 -1.336 1.00 0.00 C ATOM 0 H MET A 97 1.374 6.481 4.355 1.00 0.00 H new ATOM 0 HA MET A 97 -1.101 5.559 3.470 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.865 6.182 0.925 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.874 7.642 1.892 1.00 0.00 H new ATOM 0 HG2 MET A 97 1.724 7.290 1.978 1.00 0.00 H new ATOM 0 HG3 MET A 97 1.457 6.240 0.600 1.00 0.00 H new ATOM 0 HE1 MET A 97 -0.186 8.681 -1.952 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.807 7.204 -1.944 1.00 0.00 H new ATOM 0 HE3 MET A 97 -0.654 7.300 -0.933 1.00 0.00 H new ATOM 1455 N VAL A 98 -0.375 3.455 2.928 1.00 0.00 N ATOM 1456 CA VAL A 98 -0.045 2.014 2.663 1.00 0.00 C ATOM 1457 C VAL A 98 -1.085 1.305 1.717 1.00 0.00 C ATOM 1458 O VAL A 98 -2.274 1.455 1.930 1.00 0.00 O ATOM 1459 CB VAL A 98 0.007 1.327 4.043 1.00 0.00 C ATOM 1460 CG1 VAL A 98 1.102 1.955 4.921 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -1.319 1.495 4.812 1.00 0.00 C ATOM 0 H VAL A 98 -1.276 3.581 3.389 1.00 0.00 H new ATOM 0 HA VAL A 98 0.906 1.942 2.135 1.00 0.00 H new ATOM 0 HB VAL A 98 0.206 0.273 3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.122 1.456 5.890 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.070 1.840 4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.891 3.015 5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.244 0.998 5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.520 2.556 4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.132 1.050 4.237 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.674 0.571 0.712 1.00 0.00 N ATOM 1472 CA GLY A 99 -1.666 -0.134 -0.207 1.00 0.00 C ATOM 1473 C GLY A 99 -1.466 -1.662 -0.212 1.00 0.00 C ATOM 1474 O GLY A 99 -0.365 -2.134 -0.007 1.00 0.00 O ATOM 0 H GLY A 99 0.307 0.420 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.682 0.097 0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.555 0.249 -1.221 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.509 -2.414 -0.458 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.389 -3.925 -0.467 1.00 0.00 C ATOM 1480 C LYS A 100 -2.952 -4.722 -1.698 1.00 0.00 C ATOM 1481 O LYS A 100 -3.936 -5.445 -1.605 1.00 0.00 O ATOM 1482 CB LYS A 100 -3.039 -4.356 0.899 1.00 0.00 C ATOM 1483 CG LYS A 100 -2.844 -5.875 1.157 1.00 0.00 C ATOM 1484 CD LYS A 100 -2.310 -6.107 2.626 1.00 0.00 C ATOM 1485 CE LYS A 100 -1.794 -7.531 2.738 1.00 0.00 C ATOM 1486 NZ LYS A 100 -0.506 -7.581 1.998 1.00 0.00 N ATOM 0 H LYS A 100 -3.444 -2.057 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.338 -4.191 -0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.593 -3.786 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.103 -4.119 0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.789 -6.401 1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.139 -6.288 0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.515 -5.398 2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.107 -5.936 3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.651 -7.809 3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.510 -8.236 2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.052 -8.394 2.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.694 -7.680 0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.026 -6.704 2.168 1.00 0.00 H new ATOM 1500 N ILE A 101 -2.318 -4.577 -2.841 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.775 -5.311 -4.097 1.00 0.00 C ATOM 1502 C ILE A 101 -2.987 -6.796 -3.644 1.00 0.00 C ATOM 1503 O ILE A 101 -2.123 -7.433 -3.067 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.641 -5.139 -5.225 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -2.184 -5.347 -6.653 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.515 -6.154 -5.013 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -0.984 -5.333 -7.701 1.00 0.00 C ATOM 0 H ILE A 101 -1.499 -3.982 -2.971 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.698 -4.929 -4.534 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.278 -4.116 -5.127 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.719 -6.295 -6.713 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.899 -4.562 -6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.243 -6.023 -5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.065 -5.999 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.920 -7.164 -5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.378 -5.481 -8.707 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.468 -4.374 -7.650 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.284 -6.135 -7.464 1.00 0.00 H new ATOM 1519 N THR A 102 -4.149 -7.307 -3.910 1.00 0.00 N ATOM 1520 CA THR A 102 -4.504 -8.724 -3.519 1.00 0.00 C ATOM 1521 C THR A 102 -4.632 -9.630 -4.726 1.00 0.00 C ATOM 1522 O THR A 102 -5.702 -9.747 -5.285 1.00 0.00 O ATOM 1523 CB THR A 102 -5.836 -8.742 -2.768 1.00 0.00 C ATOM 1524 OG1 THR A 102 -5.829 -7.720 -1.780 1.00 0.00 O ATOM 1525 CG2 THR A 102 -5.926 -9.952 -1.863 1.00 0.00 C ATOM 0 H THR A 102 -4.894 -6.804 -4.392 1.00 0.00 H new ATOM 0 HA THR A 102 -3.696 -9.091 -2.886 1.00 0.00 H new ATOM 0 HB THR A 102 -6.612 -8.677 -3.530 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.009 -7.785 -1.248 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.882 -9.944 -1.339 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.847 -10.860 -2.461 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.114 -9.924 -1.137 1.00 0.00 H new ATOM 1533 N VAL A 103 -3.576 -10.269 -5.125 1.00 0.00 N ATOM 1534 CA VAL A 103 -3.703 -11.158 -6.328 1.00 0.00 C ATOM 1535 C VAL A 103 -4.877 -12.176 -6.218 1.00 0.00 C ATOM 1536 O VAL A 103 -5.149 -12.741 -5.176 1.00 0.00 O ATOM 1537 CB VAL A 103 -2.367 -11.903 -6.510 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -2.377 -12.637 -7.821 1.00 0.00 C ATOM 1539 CG2 VAL A 103 -1.138 -10.970 -6.463 1.00 0.00 C ATOM 0 H VAL A 103 -2.653 -10.225 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.930 -10.533 -7.192 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.277 -12.596 -5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.432 -13.164 -7.950 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.197 -13.355 -7.830 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.509 -11.925 -8.636 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.230 -11.558 -6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.213 -10.230 -7.260 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.103 -10.463 -5.499 1.00 0.00 H new ATOM 1549 N ALA A 104 -5.542 -12.361 -7.320 1.00 0.00 N ATOM 1550 CA ALA A 104 -6.699 -13.306 -7.419 1.00 0.00 C ATOM 1551 C ALA A 104 -6.109 -14.672 -7.858 1.00 0.00 C ATOM 1552 O ALA A 104 -6.392 -15.218 -8.910 1.00 0.00 O ATOM 1553 CB ALA A 104 -7.664 -12.677 -8.448 1.00 0.00 C ATOM 0 H ALA A 104 -5.326 -11.879 -8.193 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.252 -13.471 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.536 -13.320 -8.569 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.982 -11.696 -8.096 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.155 -12.571 -9.406 1.00 0.00 H new ATOM 1559 N GLY A 105 -5.280 -15.122 -6.965 1.00 0.00 N ATOM 1560 CA GLY A 105 -4.510 -16.400 -7.033 1.00 0.00 C ATOM 1561 C GLY A 105 -3.090 -16.045 -6.601 1.00 0.00 C ATOM 1562 O GLY A 105 -2.194 -16.729 -7.051 1.00 0.00 O ATOM 1563 OXT GLY A 105 -2.976 -15.105 -5.828 1.00 0.00 O ATOM 0 H GLY A 105 -5.088 -14.603 -6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.943 -17.154 -6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.522 -16.812 -8.042 1.00 0.00 H new