USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 468 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+ -159:sc= 0.0287 (180deg=0) USER MOD Set 1.2: A 57 TYR OH : rot 11:sc= -2.2 USER MOD Set 2.1: A 3 LYS NZ :NH3+ -150:sc= -0.873 (180deg=-1.1) USER MOD Set 2.2: A 13 GLN : amide:sc= -2.86 K(o=-4.9,f=1.3) USER MOD Set 2.3: A 28 SER OG : rot 180:sc= -1.21 USER MOD Single : A 1 MET CE :methyl 150:sc= -2.6 (180deg=-5.14!) USER MOD Single : A 2 TYR OH : rot -132:sc= 0.12 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -3.33 K(o=-3.3,f=-2.5!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0191) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 154:sc= -0.0292 (180deg=-0.304) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -78:sc= 1.22 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 150:sc= -3.2 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 55 ASN : amide:sc= -3.35 K(o=-3.4,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.425 8.662 -0.016 1.00 0.00 N ATOM 2 CA MET A 1 -4.499 7.632 -0.555 1.00 0.00 C ATOM 3 C MET A 1 -5.251 6.600 -1.390 1.00 0.00 C ATOM 4 O MET A 1 -5.959 5.748 -0.853 1.00 0.00 O ATOM 5 CB MET A 1 -3.792 6.952 0.618 1.00 0.00 C ATOM 6 CG MET A 1 -2.277 6.948 0.496 1.00 0.00 C ATOM 7 SD MET A 1 -1.480 8.087 1.644 1.00 0.00 S ATOM 8 CE MET A 1 -0.726 6.937 2.792 1.00 0.00 C ATOM 0 H1 MET A 1 -4.887 9.517 0.231 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.139 8.898 -0.735 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.898 8.293 0.833 1.00 0.00 H new ATOM 0 HA MET A 1 -3.768 8.111 -1.206 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.072 7.457 1.542 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.144 5.924 0.697 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.905 5.939 0.676 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.999 7.213 -0.524 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.181 7.378 3.205 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.424 6.719 3.600 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.476 6.013 2.270 1.00 0.00 H new ATOM 20 N TYR A 2 -5.091 6.682 -2.707 1.00 0.00 N ATOM 21 CA TYR A 2 -5.755 5.756 -3.615 1.00 0.00 C ATOM 22 C TYR A 2 -4.895 4.519 -3.857 1.00 0.00 C ATOM 23 O TYR A 2 -3.668 4.595 -3.862 1.00 0.00 O ATOM 24 CB TYR A 2 -6.060 6.448 -4.946 1.00 0.00 C ATOM 25 CG TYR A 2 -7.345 7.246 -4.933 1.00 0.00 C ATOM 26 CD1 TYR A 2 -7.680 8.039 -3.843 1.00 0.00 C ATOM 27 CD2 TYR A 2 -8.221 7.206 -6.010 1.00 0.00 C ATOM 28 CE1 TYR A 2 -8.853 8.770 -3.827 1.00 0.00 C ATOM 29 CE2 TYR A 2 -9.395 7.934 -6.001 1.00 0.00 C ATOM 30 CZ TYR A 2 -9.706 8.714 -4.909 1.00 0.00 C ATOM 31 OH TYR A 2 -10.870 9.441 -4.896 1.00 0.00 O ATOM 0 H TYR A 2 -4.507 7.380 -3.168 1.00 0.00 H new ATOM 0 HA TYR A 2 -6.690 5.440 -3.153 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.233 7.111 -5.199 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -6.117 5.695 -5.732 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.013 8.085 -2.995 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -7.981 6.596 -6.868 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -9.100 9.382 -2.972 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -10.066 7.892 -6.846 1.00 0.00 H new ATOM 0 HH TYR A 2 -11.617 8.868 -5.168 1.00 0.00 H new ATOM 41 N LYS A 3 -5.552 3.379 -4.058 1.00 0.00 N ATOM 42 CA LYS A 3 -4.851 2.124 -4.301 1.00 0.00 C ATOM 43 C LYS A 3 -3.927 2.237 -5.511 1.00 0.00 C ATOM 44 O LYS A 3 -2.922 1.533 -5.604 1.00 0.00 O ATOM 45 CB LYS A 3 -5.857 0.991 -4.517 1.00 0.00 C ATOM 46 CG LYS A 3 -5.405 -0.343 -3.945 1.00 0.00 C ATOM 47 CD LYS A 3 -5.879 -1.507 -4.800 1.00 0.00 C ATOM 48 CE LYS A 3 -4.986 -2.724 -4.628 1.00 0.00 C ATOM 49 NZ LYS A 3 -5.481 -3.891 -5.413 1.00 0.00 N ATOM 0 H LYS A 3 -6.569 3.300 -4.057 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.242 1.902 -3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.807 1.269 -4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.038 0.876 -5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.317 -0.360 -3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.790 -0.454 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.903 -1.765 -4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.891 -1.209 -5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.972 -2.478 -4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.936 -2.991 -3.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.215 -4.773 -4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.516 -3.840 -5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.057 -3.876 -6.363 1.00 0.00 H new ATOM 63 N LYS A 4 -4.275 3.126 -6.436 1.00 0.00 N ATOM 64 CA LYS A 4 -3.476 3.330 -7.640 1.00 0.00 C ATOM 65 C LYS A 4 -2.044 3.717 -7.287 1.00 0.00 C ATOM 66 O LYS A 4 -1.089 3.151 -7.817 1.00 0.00 O ATOM 67 CB LYS A 4 -4.106 4.413 -8.518 1.00 0.00 C ATOM 68 CG LYS A 4 -3.504 4.493 -9.912 1.00 0.00 C ATOM 69 CD LYS A 4 -4.394 3.817 -10.943 1.00 0.00 C ATOM 70 CE LYS A 4 -5.337 4.810 -11.603 1.00 0.00 C ATOM 71 NZ LYS A 4 -6.691 4.228 -11.824 1.00 0.00 N ATOM 0 H LYS A 4 -5.104 3.717 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.453 2.390 -8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.176 4.223 -8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.993 5.379 -8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.356 5.538 -10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.521 4.021 -9.913 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.775 3.341 -11.703 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.973 3.028 -10.464 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.422 5.700 -10.979 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.919 5.129 -12.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.304 4.936 -12.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.614 3.394 -12.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.101 3.947 -10.911 1.00 0.00 H new ATOM 85 N ASP A 5 -1.902 4.686 -6.388 1.00 0.00 N ATOM 86 CA ASP A 5 -0.585 5.148 -5.964 1.00 0.00 C ATOM 87 C ASP A 5 0.208 4.016 -5.317 1.00 0.00 C ATOM 88 O ASP A 5 1.348 3.751 -5.694 1.00 0.00 O ATOM 89 CB ASP A 5 -0.720 6.317 -4.987 1.00 0.00 C ATOM 90 CG ASP A 5 -1.218 7.580 -5.662 1.00 0.00 C ATOM 91 OD1 ASP A 5 -2.074 7.473 -6.566 1.00 0.00 O ATOM 92 OD2 ASP A 5 -0.753 8.676 -5.287 1.00 0.00 O ATOM 0 H ASP A 5 -2.682 5.166 -5.939 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.045 5.485 -6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.407 6.041 -4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.247 6.513 -4.523 1.00 0.00 H new ATOM 97 N VAL A 6 -0.406 3.354 -4.341 1.00 0.00 N ATOM 98 CA VAL A 6 0.232 2.255 -3.642 1.00 0.00 C ATOM 99 C VAL A 6 0.718 1.190 -4.618 1.00 0.00 C ATOM 100 O VAL A 6 1.884 0.795 -4.595 1.00 0.00 O ATOM 101 CB VAL A 6 -0.734 1.607 -2.633 1.00 0.00 C ATOM 102 CG1 VAL A 6 0.041 0.793 -1.625 1.00 0.00 C ATOM 103 CG2 VAL A 6 -1.580 2.659 -1.929 1.00 0.00 C ATOM 0 H VAL A 6 -1.350 3.565 -4.018 1.00 0.00 H new ATOM 0 HA VAL A 6 1.088 2.669 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.408 0.947 -3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.650 0.339 -0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.598 0.011 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.735 1.441 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.252 2.172 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.929 3.350 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.165 3.209 -2.666 1.00 0.00 H new ATOM 113 N ILE A 7 -0.184 0.733 -5.480 1.00 0.00 N ATOM 114 CA ILE A 7 0.147 -0.283 -6.470 1.00 0.00 C ATOM 115 C ILE A 7 1.298 0.174 -7.365 1.00 0.00 C ATOM 116 O ILE A 7 2.055 -0.647 -7.885 1.00 0.00 O ATOM 117 CB ILE A 7 -1.079 -0.630 -7.343 1.00 0.00 C ATOM 118 CG1 ILE A 7 -2.146 -1.329 -6.497 1.00 0.00 C ATOM 119 CG2 ILE A 7 -0.674 -1.503 -8.521 1.00 0.00 C ATOM 120 CD1 ILE A 7 -3.380 -1.724 -7.278 1.00 0.00 C ATOM 0 H ILE A 7 -1.152 1.052 -5.512 1.00 0.00 H new ATOM 0 HA ILE A 7 0.456 -1.175 -5.925 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.496 0.296 -7.738 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.712 -2.221 -6.045 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.439 -0.669 -5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.554 -1.735 -9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.054 -0.972 -9.134 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.232 -2.429 -8.153 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.091 -2.214 -6.612 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.839 -0.834 -7.708 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.100 -2.410 -8.078 1.00 0.00 H new ATOM 132 N ASP A 8 1.427 1.485 -7.537 1.00 0.00 N ATOM 133 CA ASP A 8 2.489 2.045 -8.362 1.00 0.00 C ATOM 134 C ASP A 8 3.813 2.026 -7.610 1.00 0.00 C ATOM 135 O ASP A 8 4.882 1.945 -8.212 1.00 0.00 O ATOM 136 CB ASP A 8 2.141 3.477 -8.777 1.00 0.00 C ATOM 137 CG ASP A 8 2.279 3.695 -10.271 1.00 0.00 C ATOM 138 OD1 ASP A 8 3.406 3.985 -10.727 1.00 0.00 O ATOM 139 OD2 ASP A 8 1.262 3.576 -10.986 1.00 0.00 O ATOM 0 H ASP A 8 0.809 2.179 -7.116 1.00 0.00 H new ATOM 0 HA ASP A 8 2.588 1.433 -9.259 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.119 3.703 -8.472 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.792 4.174 -8.249 1.00 0.00 H new ATOM 144 N HIS A 9 3.729 2.094 -6.285 1.00 0.00 N ATOM 145 CA HIS A 9 4.916 2.081 -5.444 1.00 0.00 C ATOM 146 C HIS A 9 5.356 0.646 -5.160 1.00 0.00 C ATOM 147 O HIS A 9 6.542 0.372 -4.979 1.00 0.00 O ATOM 148 CB HIS A 9 4.644 2.823 -4.131 1.00 0.00 C ATOM 149 CG HIS A 9 5.718 2.649 -3.101 1.00 0.00 C ATOM 150 ND1 HIS A 9 6.598 3.653 -2.749 1.00 0.00 N ATOM 151 CD2 HIS A 9 6.050 1.579 -2.339 1.00 0.00 C ATOM 152 CE1 HIS A 9 7.424 3.207 -1.819 1.00 0.00 C ATOM 153 NE2 HIS A 9 7.111 1.952 -1.553 1.00 0.00 N ATOM 0 H HIS A 9 2.850 2.159 -5.772 1.00 0.00 H new ATOM 0 HA HIS A 9 5.721 2.590 -5.974 1.00 0.00 H new ATOM 0 HB2 HIS A 9 4.527 3.886 -4.343 1.00 0.00 H new ATOM 0 HB3 HIS A 9 3.698 2.474 -3.717 1.00 0.00 H new ATOM 0 HD2 HIS A 9 5.569 0.612 -2.349 1.00 0.00 H new ATOM 0 HE1 HIS A 9 8.219 3.772 -1.356 1.00 0.00 H new ATOM 0 HE2 HIS A 9 7.582 1.356 -0.873 1.00 0.00 H new ATOM 162 N PHE A 10 4.387 -0.264 -5.120 1.00 0.00 N ATOM 163 CA PHE A 10 4.666 -1.669 -4.856 1.00 0.00 C ATOM 164 C PHE A 10 4.824 -2.453 -6.156 1.00 0.00 C ATOM 165 O PHE A 10 5.525 -3.464 -6.200 1.00 0.00 O ATOM 166 CB PHE A 10 3.545 -2.276 -4.013 1.00 0.00 C ATOM 167 CG PHE A 10 3.653 -1.933 -2.557 1.00 0.00 C ATOM 168 CD1 PHE A 10 4.436 -2.699 -1.712 1.00 0.00 C ATOM 169 CD2 PHE A 10 2.976 -0.843 -2.036 1.00 0.00 C ATOM 170 CE1 PHE A 10 4.543 -2.385 -0.371 1.00 0.00 C ATOM 171 CE2 PHE A 10 3.080 -0.524 -0.696 1.00 0.00 C ATOM 172 CZ PHE A 10 3.864 -1.295 0.139 1.00 0.00 C ATOM 0 H PHE A 10 3.400 -0.051 -5.268 1.00 0.00 H new ATOM 0 HA PHE A 10 5.605 -1.730 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.584 -1.928 -4.392 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.559 -3.360 -4.127 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.969 -3.552 -2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.361 -0.236 -2.684 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.157 -2.991 0.278 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.548 0.329 -0.301 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.946 -1.047 1.187 1.00 0.00 H new ATOM 182 N GLY A 11 4.168 -1.982 -7.211 1.00 0.00 N ATOM 183 CA GLY A 11 4.250 -2.653 -8.495 1.00 0.00 C ATOM 184 C GLY A 11 3.196 -3.732 -8.648 1.00 0.00 C ATOM 185 O GLY A 11 2.448 -3.745 -9.624 1.00 0.00 O ATOM 0 H GLY A 11 3.581 -1.148 -7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.135 -1.920 -9.294 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.239 -3.096 -8.609 1.00 0.00 H new ATOM 189 N THR A 12 3.136 -4.634 -7.674 1.00 0.00 N ATOM 190 CA THR A 12 2.167 -5.721 -7.696 1.00 0.00 C ATOM 191 C THR A 12 1.421 -5.804 -6.369 1.00 0.00 C ATOM 192 O THR A 12 1.975 -5.490 -5.315 1.00 0.00 O ATOM 193 CB THR A 12 2.863 -7.051 -7.989 1.00 0.00 C ATOM 194 OG1 THR A 12 4.181 -7.053 -7.466 1.00 0.00 O ATOM 195 CG2 THR A 12 2.955 -7.367 -9.466 1.00 0.00 C ATOM 0 H THR A 12 3.749 -4.633 -6.859 1.00 0.00 H new ATOM 0 HA THR A 12 1.446 -5.518 -8.488 1.00 0.00 H new ATOM 0 HB THR A 12 2.246 -7.811 -7.510 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.609 -7.912 -7.662 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.459 -8.324 -9.603 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.952 -7.422 -9.890 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.520 -6.584 -9.971 1.00 0.00 H new ATOM 203 N GLN A 13 0.163 -6.226 -6.424 1.00 0.00 N ATOM 204 CA GLN A 13 -0.656 -6.346 -5.224 1.00 0.00 C ATOM 205 C GLN A 13 0.009 -7.259 -4.197 1.00 0.00 C ATOM 206 O GLN A 13 0.205 -6.874 -3.044 1.00 0.00 O ATOM 207 CB GLN A 13 -2.044 -6.886 -5.580 1.00 0.00 C ATOM 208 CG GLN A 13 -2.783 -6.034 -6.600 1.00 0.00 C ATOM 209 CD GLN A 13 -4.013 -6.726 -7.155 1.00 0.00 C ATOM 210 OE1 GLN A 13 -4.088 -7.018 -8.348 1.00 0.00 O ATOM 211 NE2 GLN A 13 -4.983 -6.994 -6.289 1.00 0.00 N ATOM 0 H GLN A 13 -0.312 -6.491 -7.287 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.760 -5.353 -4.786 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.942 -7.899 -5.970 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.643 -6.953 -4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.078 -5.093 -6.136 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.108 -5.788 -7.420 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.878 -6.734 -5.308 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.834 -7.460 -6.604 1.00 0.00 H new ATOM 220 N ARG A 14 0.355 -8.470 -4.626 1.00 0.00 N ATOM 221 CA ARG A 14 1.000 -9.443 -3.747 1.00 0.00 C ATOM 222 C ARG A 14 2.145 -8.809 -2.964 1.00 0.00 C ATOM 223 O ARG A 14 2.428 -9.200 -1.831 1.00 0.00 O ATOM 224 CB ARG A 14 1.521 -10.628 -4.562 1.00 0.00 C ATOM 225 CG ARG A 14 1.413 -11.961 -3.839 1.00 0.00 C ATOM 226 CD ARG A 14 2.516 -12.919 -4.260 1.00 0.00 C ATOM 227 NE ARG A 14 1.984 -14.204 -4.709 1.00 0.00 N ATOM 228 CZ ARG A 14 1.429 -14.399 -5.902 1.00 0.00 C ATOM 229 NH1 ARG A 14 1.332 -13.399 -6.769 1.00 0.00 N ATOM 230 NH2 ARG A 14 0.970 -15.599 -6.231 1.00 0.00 N ATOM 0 H ARG A 14 0.200 -8.802 -5.578 1.00 0.00 H new ATOM 0 HA ARG A 14 0.254 -9.795 -3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.965 -10.686 -5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.564 -10.449 -4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.465 -11.797 -2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.442 -12.410 -4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.101 -12.469 -5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.195 -13.080 -3.423 1.00 0.00 H new ATOM 0 HE ARG A 14 2.042 -14.997 -4.070 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.684 -12.474 -6.522 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.905 -13.555 -7.682 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.043 -16.372 -5.569 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.544 -15.749 -7.146 1.00 0.00 H new ATOM 244 N ALA A 15 2.800 -7.824 -3.572 1.00 0.00 N ATOM 245 CA ALA A 15 3.910 -7.136 -2.927 1.00 0.00 C ATOM 246 C ALA A 15 3.449 -6.435 -1.654 1.00 0.00 C ATOM 247 O ALA A 15 4.011 -6.644 -0.580 1.00 0.00 O ATOM 248 CB ALA A 15 4.540 -6.136 -3.884 1.00 0.00 C ATOM 0 H ALA A 15 2.581 -7.486 -4.509 1.00 0.00 H new ATOM 0 HA ALA A 15 4.659 -7.879 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.368 -5.630 -3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.910 -6.660 -4.765 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.794 -5.401 -4.186 1.00 0.00 H new ATOM 254 N VAL A 16 2.418 -5.605 -1.784 1.00 0.00 N ATOM 255 CA VAL A 16 1.875 -4.874 -0.648 1.00 0.00 C ATOM 256 C VAL A 16 1.477 -5.825 0.477 1.00 0.00 C ATOM 257 O VAL A 16 1.710 -5.543 1.653 1.00 0.00 O ATOM 258 CB VAL A 16 0.647 -4.028 -1.042 1.00 0.00 C ATOM 259 CG1 VAL A 16 0.559 -2.803 -0.160 1.00 0.00 C ATOM 260 CG2 VAL A 16 0.694 -3.620 -2.509 1.00 0.00 C ATOM 0 H VAL A 16 1.942 -5.423 -2.668 1.00 0.00 H new ATOM 0 HA VAL A 16 2.665 -4.207 -0.303 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.243 -4.641 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.311 -2.211 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.463 -3.111 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.461 -2.203 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.187 -3.025 -2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.592 -3.030 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.711 -4.512 -3.134 1.00 0.00 H new ATOM 270 N ALA A 17 0.875 -6.950 0.107 1.00 0.00 N ATOM 271 CA ALA A 17 0.443 -7.942 1.082 1.00 0.00 C ATOM 272 C ALA A 17 1.628 -8.489 1.870 1.00 0.00 C ATOM 273 O ALA A 17 1.522 -8.752 3.068 1.00 0.00 O ATOM 274 CB ALA A 17 -0.301 -9.074 0.391 1.00 0.00 C ATOM 0 H ALA A 17 0.675 -7.197 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.233 -7.454 1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.617 -9.807 1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.176 -8.675 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.357 -9.552 -0.335 1.00 0.00 H new ATOM 280 N LYS A 18 2.757 -8.659 1.189 1.00 0.00 N ATOM 281 CA LYS A 18 3.967 -9.175 1.824 1.00 0.00 C ATOM 282 C LYS A 18 4.828 -8.045 2.388 1.00 0.00 C ATOM 283 O LYS A 18 6.031 -8.212 2.582 1.00 0.00 O ATOM 284 CB LYS A 18 4.779 -10.001 0.824 1.00 0.00 C ATOM 285 CG LYS A 18 5.321 -9.188 -0.339 1.00 0.00 C ATOM 286 CD LYS A 18 6.590 -9.803 -0.904 1.00 0.00 C ATOM 287 CE LYS A 18 6.307 -10.611 -2.160 1.00 0.00 C ATOM 288 NZ LYS A 18 5.666 -11.918 -1.848 1.00 0.00 N ATOM 0 H LYS A 18 2.860 -8.447 0.197 1.00 0.00 H new ATOM 0 HA LYS A 18 3.661 -9.812 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.612 -10.472 1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.152 -10.803 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.566 -9.124 -1.123 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.525 -8.169 -0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.307 -9.015 -1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.050 -10.445 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.658 -10.037 -2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.239 -10.783 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.567 -12.473 -2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.256 -12.441 -1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.726 -11.754 -1.434 1.00 0.00 H new ATOM 302 N ALA A 19 4.209 -6.895 2.647 1.00 0.00 N ATOM 303 CA ALA A 19 4.928 -5.748 3.186 1.00 0.00 C ATOM 304 C ALA A 19 4.271 -5.240 4.466 1.00 0.00 C ATOM 305 O ALA A 19 4.942 -5.021 5.475 1.00 0.00 O ATOM 306 CB ALA A 19 4.999 -4.636 2.151 1.00 0.00 C ATOM 0 H ALA A 19 3.214 -6.735 2.492 1.00 0.00 H new ATOM 0 HA ALA A 19 5.941 -6.068 3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.539 -3.785 2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.519 -4.997 1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.990 -4.327 1.879 1.00 0.00 H new ATOM 312 N LEU A 20 2.956 -5.054 4.417 1.00 0.00 N ATOM 313 CA LEU A 20 2.209 -4.572 5.574 1.00 0.00 C ATOM 314 C LEU A 20 1.938 -5.706 6.557 1.00 0.00 C ATOM 315 O LEU A 20 1.856 -5.488 7.764 1.00 0.00 O ATOM 316 CB LEU A 20 0.888 -3.944 5.127 1.00 0.00 C ATOM 317 CG LEU A 20 0.981 -3.043 3.896 1.00 0.00 C ATOM 318 CD1 LEU A 20 -0.406 -2.756 3.339 1.00 0.00 C ATOM 319 CD2 LEU A 20 1.698 -1.746 4.239 1.00 0.00 C ATOM 0 H LEU A 20 2.386 -5.229 3.590 1.00 0.00 H new ATOM 0 HA LEU A 20 2.812 -3.816 6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.176 -4.743 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.482 -3.362 5.954 1.00 0.00 H new ATOM 0 HG LEU A 20 1.557 -3.563 3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.320 -2.113 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.886 -3.693 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.007 -2.256 4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.755 -1.116 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.148 -1.222 5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.705 -1.969 4.591 1.00 0.00 H new ATOM 331 N GLY A 21 1.801 -6.918 6.029 1.00 0.00 N ATOM 332 CA GLY A 21 1.539 -8.070 6.874 1.00 0.00 C ATOM 333 C GLY A 21 0.161 -8.657 6.643 1.00 0.00 C ATOM 334 O GLY A 21 -0.425 -9.257 7.545 1.00 0.00 O ATOM 0 H GLY A 21 1.867 -7.124 5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.293 -8.834 6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.636 -7.779 7.920 1.00 0.00 H new ATOM 338 N ILE A 22 -0.358 -8.483 5.432 1.00 0.00 N ATOM 339 CA ILE A 22 -1.678 -8.999 5.085 1.00 0.00 C ATOM 340 C ILE A 22 -1.598 -9.948 3.894 1.00 0.00 C ATOM 341 O ILE A 22 -0.518 -10.210 3.367 1.00 0.00 O ATOM 342 CB ILE A 22 -2.658 -7.858 4.751 1.00 0.00 C ATOM 343 CG1 ILE A 22 -2.117 -7.012 3.597 1.00 0.00 C ATOM 344 CG2 ILE A 22 -2.902 -6.995 5.981 1.00 0.00 C ATOM 345 CD1 ILE A 22 -3.040 -5.884 3.188 1.00 0.00 C ATOM 0 H ILE A 22 0.114 -7.989 4.675 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.046 -9.540 5.957 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.608 -8.293 4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.152 -6.595 3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.941 -7.657 2.736 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.596 -6.193 5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.327 -7.607 6.777 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.958 -6.566 6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.592 -5.327 2.365 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.998 -6.295 2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.196 -5.216 4.035 1.00 0.00 H new ATOM 357 N SER A 23 -2.751 -10.462 3.476 1.00 0.00 N ATOM 358 CA SER A 23 -2.813 -11.382 2.348 1.00 0.00 C ATOM 359 C SER A 23 -3.099 -10.633 1.050 1.00 0.00 C ATOM 360 O SER A 23 -3.557 -9.490 1.069 1.00 0.00 O ATOM 361 CB SER A 23 -3.888 -12.443 2.586 1.00 0.00 C ATOM 362 OG SER A 23 -5.187 -11.890 2.459 1.00 0.00 O ATOM 0 H SER A 23 -3.654 -10.256 3.902 1.00 0.00 H new ATOM 0 HA SER A 23 -1.844 -11.872 2.258 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.764 -13.257 1.872 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.767 -12.871 3.581 1.00 0.00 H new ATOM 0 HG SER A 23 -5.857 -12.589 2.614 1.00 0.00 H new ATOM 368 N ASP A 24 -2.827 -11.284 -0.077 1.00 0.00 N ATOM 369 CA ASP A 24 -3.056 -10.680 -1.384 1.00 0.00 C ATOM 370 C ASP A 24 -4.527 -10.316 -1.564 1.00 0.00 C ATOM 371 O ASP A 24 -4.855 -9.342 -2.241 1.00 0.00 O ATOM 372 CB ASP A 24 -2.614 -11.634 -2.494 1.00 0.00 C ATOM 373 CG ASP A 24 -3.233 -13.012 -2.354 1.00 0.00 C ATOM 374 OD1 ASP A 24 -2.720 -13.814 -1.545 1.00 0.00 O ATOM 375 OD2 ASP A 24 -4.230 -13.287 -3.052 1.00 0.00 O ATOM 0 H ASP A 24 -2.448 -12.230 -0.111 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.465 -9.766 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.887 -11.213 -3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.528 -11.724 -2.481 1.00 0.00 H new ATOM 380 N ALA A 25 -5.405 -11.106 -0.956 1.00 0.00 N ATOM 381 CA ALA A 25 -6.839 -10.866 -1.049 1.00 0.00 C ATOM 382 C ALA A 25 -7.208 -9.508 -0.464 1.00 0.00 C ATOM 383 O ALA A 25 -8.066 -8.804 -0.996 1.00 0.00 O ATOM 384 CB ALA A 25 -7.606 -11.974 -0.341 1.00 0.00 C ATOM 0 H ALA A 25 -5.148 -11.918 -0.394 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.114 -10.864 -2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.676 -11.782 -0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.374 -12.932 -0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.317 -12.002 0.710 1.00 0.00 H new ATOM 390 N ALA A 26 -6.554 -9.145 0.635 1.00 0.00 N ATOM 391 CA ALA A 26 -6.812 -7.870 1.291 1.00 0.00 C ATOM 392 C ALA A 26 -6.469 -6.701 0.375 1.00 0.00 C ATOM 393 O ALA A 26 -7.167 -5.688 0.354 1.00 0.00 O ATOM 394 CB ALA A 26 -6.022 -7.775 2.588 1.00 0.00 C ATOM 0 H ALA A 26 -5.842 -9.717 1.089 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.876 -7.817 1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.224 -6.817 3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.319 -8.585 3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.957 -7.855 2.372 1.00 0.00 H new ATOM 400 N VAL A 27 -5.388 -6.850 -0.387 1.00 0.00 N ATOM 401 CA VAL A 27 -4.953 -5.807 -1.307 1.00 0.00 C ATOM 402 C VAL A 27 -5.944 -5.638 -2.453 1.00 0.00 C ATOM 403 O VAL A 27 -6.384 -4.528 -2.749 1.00 0.00 O ATOM 404 CB VAL A 27 -3.560 -6.116 -1.888 1.00 0.00 C ATOM 405 CG1 VAL A 27 -3.061 -4.954 -2.732 1.00 0.00 C ATOM 406 CG2 VAL A 27 -2.576 -6.436 -0.773 1.00 0.00 C ATOM 0 H VAL A 27 -4.799 -7.683 -0.384 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.902 -4.881 -0.735 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.642 -6.992 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.076 -5.192 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.754 -4.777 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.994 -4.058 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.597 -6.652 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.497 -5.581 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.927 -7.305 -0.216 1.00 0.00 H new ATOM 416 N SER A 28 -6.292 -6.749 -3.096 1.00 0.00 N ATOM 417 CA SER A 28 -7.231 -6.722 -4.212 1.00 0.00 C ATOM 418 C SER A 28 -8.596 -6.207 -3.764 1.00 0.00 C ATOM 419 O SER A 28 -9.331 -5.605 -4.547 1.00 0.00 O ATOM 420 CB SER A 28 -7.376 -8.120 -4.816 1.00 0.00 C ATOM 421 OG SER A 28 -6.134 -8.802 -4.826 1.00 0.00 O ATOM 0 H SER A 28 -5.938 -7.677 -2.864 1.00 0.00 H new ATOM 0 HA SER A 28 -6.837 -6.044 -4.969 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.105 -8.693 -4.243 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.760 -8.042 -5.833 1.00 0.00 H new ATOM 0 HG SER A 28 -6.253 -9.693 -5.216 1.00 0.00 H new ATOM 427 N GLN A 29 -8.929 -6.448 -2.500 1.00 0.00 N ATOM 428 CA GLN A 29 -10.200 -6.010 -1.947 1.00 0.00 C ATOM 429 C GLN A 29 -10.230 -4.494 -1.755 1.00 0.00 C ATOM 430 O GLN A 29 -11.300 -3.889 -1.692 1.00 0.00 O ATOM 431 CB GLN A 29 -10.470 -6.712 -0.613 1.00 0.00 C ATOM 432 CG GLN A 29 -11.680 -7.624 -0.639 1.00 0.00 C ATOM 433 CD GLN A 29 -11.340 -9.049 -1.021 1.00 0.00 C ATOM 434 OE1 GLN A 29 -11.420 -9.430 -2.188 1.00 0.00 O ATOM 435 NE2 GLN A 29 -10.950 -9.846 -0.033 1.00 0.00 N ATOM 0 H GLN A 29 -8.332 -6.946 -1.840 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.982 -6.278 -2.657 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.592 -7.295 -0.335 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.610 -5.959 0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.152 -7.620 0.344 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.410 -7.229 -1.345 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.898 -9.488 0.921 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.702 -10.816 -0.228 1.00 0.00 H new ATOM 444 N TRP A 30 -9.054 -3.886 -1.661 1.00 0.00 N ATOM 445 CA TRP A 30 -8.949 -2.443 -1.474 1.00 0.00 C ATOM 446 C TRP A 30 -9.740 -1.692 -2.543 1.00 0.00 C ATOM 447 O TRP A 30 -9.541 -1.902 -3.739 1.00 0.00 O ATOM 448 CB TRP A 30 -7.484 -2.004 -1.513 1.00 0.00 C ATOM 449 CG TRP A 30 -6.697 -2.430 -0.310 1.00 0.00 C ATOM 450 CD1 TRP A 30 -7.183 -2.986 0.838 1.00 0.00 C ATOM 451 CD2 TRP A 30 -5.279 -2.328 -0.138 1.00 0.00 C ATOM 452 NE1 TRP A 30 -6.154 -3.237 1.713 1.00 0.00 N ATOM 453 CE2 TRP A 30 -4.975 -2.843 1.137 1.00 0.00 C ATOM 454 CE3 TRP A 30 -4.236 -1.854 -0.938 1.00 0.00 C ATOM 455 CZ2 TRP A 30 -3.672 -2.895 1.627 1.00 0.00 C ATOM 456 CZ3 TRP A 30 -2.944 -1.905 -0.450 1.00 0.00 C ATOM 457 CH2 TRP A 30 -2.672 -2.425 0.822 1.00 0.00 C ATOM 0 H TRP A 30 -8.158 -4.370 -1.711 1.00 0.00 H new ATOM 0 HA TRP A 30 -9.370 -2.202 -0.498 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -7.015 -2.413 -2.407 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -7.441 -0.918 -1.599 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -8.224 -3.198 1.030 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.252 -3.650 2.641 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -4.436 -1.454 -1.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -3.459 -3.293 2.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.131 -1.538 -1.059 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.651 -2.455 1.174 1.00 0.00 H new ATOM 468 N LYS A 31 -10.630 -0.814 -2.101 1.00 0.00 N ATOM 469 CA LYS A 31 -11.450 -0.028 -3.018 1.00 0.00 C ATOM 470 C LYS A 31 -10.660 1.157 -3.564 1.00 0.00 C ATOM 471 O LYS A 31 -9.435 1.190 -3.473 1.00 0.00 O ATOM 472 CB LYS A 31 -12.710 0.462 -2.312 1.00 0.00 C ATOM 473 CG LYS A 31 -13.400 -0.607 -1.474 1.00 0.00 C ATOM 474 CD LYS A 31 -14.740 -0.132 -0.957 1.00 0.00 C ATOM 475 CE LYS A 31 -14.650 0.345 0.485 1.00 0.00 C ATOM 476 NZ LYS A 31 -15.130 -0.690 1.444 1.00 0.00 N ATOM 0 H LYS A 31 -10.804 -0.627 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.739 -0.666 -3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.451 1.303 -1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.412 0.835 -3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.539 -1.506 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.761 -0.880 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.106 0.679 -1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.465 -0.943 -1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.617 0.604 0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.241 1.253 0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.052 -0.326 2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.123 -0.919 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.550 -1.548 1.348 1.00 0.00 H new ATOM 490 N GLU A 32 -11.360 2.132 -4.130 1.00 0.00 N ATOM 491 CA GLU A 32 -10.720 3.320 -4.689 1.00 0.00 C ATOM 492 C GLU A 32 -9.740 3.929 -3.697 1.00 0.00 C ATOM 493 O GLU A 32 -8.760 4.563 -4.091 1.00 0.00 O ATOM 494 CB GLU A 32 -11.780 4.358 -5.078 1.00 0.00 C ATOM 495 CG GLU A 32 -11.690 4.799 -6.529 1.00 0.00 C ATOM 496 CD GLU A 32 -12.370 6.132 -6.775 1.00 0.00 C ATOM 497 OE1 GLU A 32 -12.470 6.931 -5.821 1.00 0.00 O ATOM 498 OE2 GLU A 32 -12.800 6.378 -7.922 1.00 0.00 O ATOM 0 H GLU A 32 -12.376 2.125 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.167 3.020 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.770 3.942 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.676 5.231 -4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.642 4.871 -6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.145 4.040 -7.165 1.00 0.00 H new ATOM 505 N VAL A 33 -10.000 3.730 -2.409 1.00 0.00 N ATOM 506 CA VAL A 33 -9.135 4.257 -1.361 1.00 0.00 C ATOM 507 C VAL A 33 -8.729 3.158 -0.385 1.00 0.00 C ATOM 508 O VAL A 33 -9.578 2.449 0.156 1.00 0.00 O ATOM 509 CB VAL A 33 -9.821 5.393 -0.580 1.00 0.00 C ATOM 510 CG1 VAL A 33 -8.826 6.092 0.333 1.00 0.00 C ATOM 511 CG2 VAL A 33 -10.460 6.387 -1.536 1.00 0.00 C ATOM 0 H VAL A 33 -10.805 3.206 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.247 4.653 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.606 4.959 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.330 6.891 0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.416 5.373 1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.017 6.513 -0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.940 7.183 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.693 6.815 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.206 5.877 -2.146 1.00 0.00 H new ATOM 521 N ILE A 34 -7.425 3.020 -0.164 1.00 0.00 N ATOM 522 CA ILE A 34 -6.906 2.004 0.748 1.00 0.00 C ATOM 523 C ILE A 34 -7.493 2.160 2.147 1.00 0.00 C ATOM 524 O ILE A 34 -7.897 3.255 2.541 1.00 0.00 O ATOM 525 CB ILE A 34 -5.370 2.060 0.845 1.00 0.00 C ATOM 526 CG1 ILE A 34 -4.888 3.509 0.943 1.00 0.00 C ATOM 527 CG2 ILE A 34 -4.735 1.366 -0.348 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.542 3.652 1.616 1.00 0.00 C ATOM 0 H ILE A 34 -6.708 3.598 -0.603 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.203 1.039 0.337 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.065 1.536 1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.831 3.933 -0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.625 4.092 1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.649 1.416 -0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.050 0.323 -0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.049 1.861 -1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.263 4.705 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.599 3.258 2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.793 3.096 1.052 1.00 0.00 H new ATOM 540 N PRO A 35 -7.543 1.064 2.923 1.00 0.00 N ATOM 541 CA PRO A 35 -8.080 1.087 4.288 1.00 0.00 C ATOM 542 C PRO A 35 -7.382 2.120 5.166 1.00 0.00 C ATOM 543 O PRO A 35 -6.296 2.596 4.835 1.00 0.00 O ATOM 544 CB PRO A 35 -7.810 -0.329 4.806 1.00 0.00 C ATOM 545 CG PRO A 35 -7.692 -1.168 3.582 1.00 0.00 C ATOM 546 CD PRO A 35 -7.081 -0.280 2.535 1.00 0.00 C ATOM 0 HA PRO A 35 -9.134 1.364 4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.896 -0.365 5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.620 -0.677 5.447 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.068 -2.042 3.766 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.668 -1.534 3.263 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.993 -0.347 2.535 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.417 -0.548 1.533 1.00 0.00 H new ATOM 554 N GLU A 36 -8.014 2.463 6.281 1.00 0.00 N ATOM 555 CA GLU A 36 -7.458 3.444 7.206 1.00 0.00 C ATOM 556 C GLU A 36 -6.179 2.927 7.858 1.00 0.00 C ATOM 557 O GLU A 36 -5.139 3.585 7.817 1.00 0.00 O ATOM 558 CB GLU A 36 -8.484 3.796 8.286 1.00 0.00 C ATOM 559 CG GLU A 36 -8.047 4.934 9.193 1.00 0.00 C ATOM 560 CD GLU A 36 -7.515 4.445 10.525 1.00 0.00 C ATOM 561 OE1 GLU A 36 -6.585 3.610 10.523 1.00 0.00 O ATOM 562 OE2 GLU A 36 -8.028 4.897 11.571 1.00 0.00 O ATOM 0 H GLU A 36 -8.913 2.076 6.568 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.214 4.339 6.635 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.425 4.065 7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.677 2.912 8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.277 5.519 8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.892 5.601 9.366 1.00 0.00 H new ATOM 569 N LYS A 37 -6.262 1.749 8.468 1.00 0.00 N ATOM 570 CA LYS A 37 -5.113 1.149 9.137 1.00 0.00 C ATOM 571 C LYS A 37 -4.045 0.714 8.136 1.00 0.00 C ATOM 572 O LYS A 37 -2.884 0.526 8.502 1.00 0.00 O ATOM 573 CB LYS A 37 -5.553 -0.047 9.983 1.00 0.00 C ATOM 574 CG LYS A 37 -6.288 -1.117 9.188 1.00 0.00 C ATOM 575 CD LYS A 37 -5.637 -2.484 9.341 1.00 0.00 C ATOM 576 CE LYS A 37 -6.580 -3.483 9.993 1.00 0.00 C ATOM 577 NZ LYS A 37 -7.802 -3.710 9.173 1.00 0.00 N ATOM 0 H LYS A 37 -7.114 1.190 8.513 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.678 1.908 9.787 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.676 -0.493 10.452 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.199 0.305 10.787 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.325 -1.169 9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.305 -0.839 8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.333 -2.855 8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.732 -2.392 9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.061 -4.430 10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.867 -3.120 10.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.187 -4.654 9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.514 -2.988 9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.559 -3.647 8.164 1.00 0.00 H new ATOM 591 N ASP A 38 -4.434 0.560 6.876 1.00 0.00 N ATOM 592 CA ASP A 38 -3.494 0.154 5.839 1.00 0.00 C ATOM 593 C ASP A 38 -2.666 1.348 5.380 1.00 0.00 C ATOM 594 O ASP A 38 -1.446 1.255 5.244 1.00 0.00 O ATOM 595 CB ASP A 38 -4.241 -0.456 4.651 1.00 0.00 C ATOM 596 CG ASP A 38 -4.898 -1.778 5.001 1.00 0.00 C ATOM 597 OD1 ASP A 38 -5.367 -1.922 6.150 1.00 0.00 O ATOM 598 OD2 ASP A 38 -4.944 -2.668 4.126 1.00 0.00 O ATOM 0 H ASP A 38 -5.389 0.709 6.549 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.825 -0.599 6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.001 0.244 4.304 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.545 -0.606 3.825 1.00 0.00 H new ATOM 603 N ALA A 39 -3.338 2.469 5.151 1.00 0.00 N ATOM 604 CA ALA A 39 -2.668 3.687 4.717 1.00 0.00 C ATOM 605 C ALA A 39 -1.637 4.141 5.747 1.00 0.00 C ATOM 606 O ALA A 39 -0.643 4.781 5.403 1.00 0.00 O ATOM 607 CB ALA A 39 -3.686 4.788 4.465 1.00 0.00 C ATOM 0 H ALA A 39 -4.348 2.559 5.259 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.144 3.473 3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.171 5.692 4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.382 4.469 3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.236 4.993 5.384 1.00 0.00 H new ATOM 613 N TYR A 40 -1.879 3.809 7.012 1.00 0.00 N ATOM 614 CA TYR A 40 -0.968 4.186 8.086 1.00 0.00 C ATOM 615 C TYR A 40 0.298 3.333 8.054 1.00 0.00 C ATOM 616 O TYR A 40 1.409 3.848 8.178 1.00 0.00 O ATOM 617 CB TYR A 40 -1.659 4.043 9.445 1.00 0.00 C ATOM 618 CG TYR A 40 -0.756 4.346 10.622 1.00 0.00 C ATOM 619 CD1 TYR A 40 -0.437 5.656 10.958 1.00 0.00 C ATOM 620 CD2 TYR A 40 -0.221 3.321 11.392 1.00 0.00 C ATOM 621 CE1 TYR A 40 0.389 5.934 12.031 1.00 0.00 C ATOM 622 CE2 TYR A 40 0.604 3.592 12.466 1.00 0.00 C ATOM 623 CZ TYR A 40 0.907 4.900 12.781 1.00 0.00 C ATOM 624 OH TYR A 40 1.730 5.174 13.849 1.00 0.00 O ATOM 0 H TYR A 40 -2.697 3.281 7.317 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.685 5.228 7.937 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.520 4.711 9.477 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.041 3.027 9.543 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.840 6.469 10.372 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.454 2.295 11.147 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.628 6.957 12.281 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.010 2.784 13.056 1.00 0.00 H new ATOM 0 HH TYR A 40 2.008 4.335 14.272 1.00 0.00 H new ATOM 634 N ARG A 41 0.121 2.027 7.888 1.00 0.00 N ATOM 635 CA ARG A 41 1.248 1.102 7.843 1.00 0.00 C ATOM 636 C ARG A 41 2.042 1.265 6.551 1.00 0.00 C ATOM 637 O ARG A 41 3.251 1.030 6.520 1.00 0.00 O ATOM 638 CB ARG A 41 0.755 -0.339 7.971 1.00 0.00 C ATOM 639 CG ARG A 41 0.295 -0.702 9.374 1.00 0.00 C ATOM 640 CD ARG A 41 0.433 -2.193 9.639 1.00 0.00 C ATOM 641 NE ARG A 41 1.181 -2.465 10.866 1.00 0.00 N ATOM 642 CZ ARG A 41 2.507 -2.388 10.958 1.00 0.00 C ATOM 643 NH1 ARG A 41 3.235 -2.051 9.900 1.00 0.00 N ATOM 644 NH2 ARG A 41 3.106 -2.651 12.111 1.00 0.00 N ATOM 0 H ARG A 41 -0.792 1.585 7.782 1.00 0.00 H new ATOM 0 HA ARG A 41 1.905 1.333 8.681 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.069 -0.495 7.275 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.556 -1.016 7.674 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.882 -0.146 10.105 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.745 -0.403 9.506 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.558 -2.641 9.712 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.936 -2.666 8.796 1.00 0.00 H new ATOM 0 HE ARG A 41 0.656 -2.729 11.700 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.779 -1.849 9.010 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.250 -1.994 9.977 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.551 -2.912 12.926 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.122 -2.592 12.183 1.00 0.00 H new ATOM 658 N LEU A 42 1.357 1.664 5.484 1.00 0.00 N ATOM 659 CA LEU A 42 2.000 1.852 4.188 1.00 0.00 C ATOM 660 C LEU A 42 3.125 2.878 4.278 1.00 0.00 C ATOM 661 O LEU A 42 4.206 2.674 3.726 1.00 0.00 O ATOM 662 CB LEU A 42 0.973 2.295 3.145 1.00 0.00 C ATOM 663 CG LEU A 42 0.045 1.190 2.640 1.00 0.00 C ATOM 664 CD1 LEU A 42 -1.291 1.774 2.207 1.00 0.00 C ATOM 665 CD2 LEU A 42 0.696 0.429 1.495 1.00 0.00 C ATOM 0 H LEU A 42 0.357 1.863 5.491 1.00 0.00 H new ATOM 0 HA LEU A 42 2.429 0.897 3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.365 3.092 3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.503 2.720 2.293 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.136 0.490 3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.939 0.974 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.762 2.272 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.130 2.495 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.021 -0.354 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.907 1.116 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.627 -0.021 1.840 1.00 0.00 H new ATOM 677 N GLU A 43 2.869 3.978 4.978 1.00 0.00 N ATOM 678 CA GLU A 43 3.866 5.034 5.138 1.00 0.00 C ATOM 679 C GLU A 43 5.206 4.451 5.579 1.00 0.00 C ATOM 680 O GLU A 43 6.214 4.588 4.886 1.00 0.00 O ATOM 681 CB GLU A 43 3.385 6.067 6.159 1.00 0.00 C ATOM 682 CG GLU A 43 4.142 7.384 6.093 1.00 0.00 C ATOM 683 CD GLU A 43 3.620 8.405 7.086 1.00 0.00 C ATOM 684 OE1 GLU A 43 2.471 8.250 7.549 1.00 0.00 O ATOM 685 OE2 GLU A 43 4.362 9.360 7.401 1.00 0.00 O ATOM 0 H GLU A 43 1.981 4.163 5.444 1.00 0.00 H new ATOM 0 HA GLU A 43 4.001 5.523 4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.324 6.259 5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.485 5.650 7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.199 7.202 6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.068 7.792 5.085 1.00 0.00 H new ATOM 692 N ILE A 44 5.206 3.798 6.736 1.00 0.00 N ATOM 693 CA ILE A 44 6.412 3.190 7.275 1.00 0.00 C ATOM 694 C ILE A 44 7.031 2.206 6.288 1.00 0.00 C ATOM 695 O ILE A 44 8.239 2.218 6.059 1.00 0.00 O ATOM 696 CB ILE A 44 6.115 2.456 8.593 1.00 0.00 C ATOM 697 CG1 ILE A 44 5.317 3.364 9.529 1.00 0.00 C ATOM 698 CG2 ILE A 44 7.409 2.004 9.252 1.00 0.00 C ATOM 699 CD1 ILE A 44 3.828 3.109 9.489 1.00 0.00 C ATOM 0 H ILE A 44 4.378 3.677 7.320 1.00 0.00 H new ATOM 0 HA ILE A 44 7.120 3.998 7.459 1.00 0.00 H new ATOM 0 HB ILE A 44 5.518 1.570 8.377 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.674 3.225 10.549 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.507 4.404 9.263 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.181 1.486 10.184 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.942 1.329 8.582 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.033 2.873 9.463 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.324 3.788 10.177 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.457 3.276 8.478 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.627 2.079 9.784 1.00 0.00 H new ATOM 711 N VAL A 45 6.192 1.350 5.709 1.00 0.00 N ATOM 712 CA VAL A 45 6.656 0.355 4.749 1.00 0.00 C ATOM 713 C VAL A 45 7.243 1.011 3.503 1.00 0.00 C ATOM 714 O VAL A 45 8.204 0.507 2.922 1.00 0.00 O ATOM 715 CB VAL A 45 5.523 -0.587 4.329 1.00 0.00 C ATOM 716 CG1 VAL A 45 6.066 -1.744 3.506 1.00 0.00 C ATOM 717 CG2 VAL A 45 4.760 -1.092 5.547 1.00 0.00 C ATOM 0 H VAL A 45 5.188 1.326 5.889 1.00 0.00 H new ATOM 0 HA VAL A 45 7.435 -0.221 5.250 1.00 0.00 H new ATOM 0 HB VAL A 45 4.825 -0.028 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.246 -2.402 3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.553 -1.357 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.789 -2.304 4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.960 -1.759 5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.441 -1.633 6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.332 -0.246 6.085 1.00 0.00 H new ATOM 727 N THR A 46 6.658 2.131 3.096 1.00 0.00 N ATOM 728 CA THR A 46 7.119 2.849 1.920 1.00 0.00 C ATOM 729 C THR A 46 8.228 3.845 2.264 1.00 0.00 C ATOM 730 O THR A 46 8.592 4.686 1.442 1.00 0.00 O ATOM 731 CB THR A 46 5.945 3.583 1.277 1.00 0.00 C ATOM 732 OG1 THR A 46 5.341 4.473 2.199 1.00 0.00 O ATOM 733 CG2 THR A 46 4.868 2.654 0.758 1.00 0.00 C ATOM 0 H THR A 46 5.861 2.561 3.566 1.00 0.00 H new ATOM 0 HA THR A 46 7.531 2.122 1.221 1.00 0.00 H new ATOM 0 HB THR A 46 6.372 4.123 0.432 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.772 3.968 2.817 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.064 3.241 0.314 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.292 1.991 0.004 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.471 2.060 1.582 1.00 0.00 H new ATOM 741 N ALA A 47 8.765 3.746 3.477 1.00 0.00 N ATOM 742 CA ALA A 47 9.830 4.642 3.914 1.00 0.00 C ATOM 743 C ALA A 47 9.365 6.095 3.905 1.00 0.00 C ATOM 744 O ALA A 47 10.169 7.011 3.730 1.00 0.00 O ATOM 745 CB ALA A 47 11.056 4.471 3.031 1.00 0.00 C ATOM 0 H ALA A 47 8.481 3.056 4.173 1.00 0.00 H new ATOM 0 HA ALA A 47 10.094 4.381 4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.844 5.145 3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.408 3.441 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.796 4.704 1.998 1.00 0.00 H new ATOM 751 N GLY A 48 8.066 6.298 4.094 1.00 0.00 N ATOM 752 CA GLY A 48 7.520 7.642 4.105 1.00 0.00 C ATOM 753 C GLY A 48 7.237 8.169 2.712 1.00 0.00 C ATOM 754 O GLY A 48 7.301 9.375 2.474 1.00 0.00 O ATOM 0 H GLY A 48 7.382 5.556 4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.598 7.651 4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.220 8.310 4.607 1.00 0.00 H new ATOM 758 N ALA A 49 6.922 7.265 1.789 1.00 0.00 N ATOM 759 CA ALA A 49 6.627 7.649 0.415 1.00 0.00 C ATOM 760 C ALA A 49 5.226 8.239 0.302 1.00 0.00 C ATOM 761 O ALA A 49 5.015 9.237 -0.388 1.00 0.00 O ATOM 762 CB ALA A 49 6.774 6.453 -0.513 1.00 0.00 C ATOM 0 H ALA A 49 6.865 6.263 1.969 1.00 0.00 H new ATOM 0 HA ALA A 49 7.343 8.415 0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.550 6.756 -1.536 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.795 6.076 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.082 5.668 -0.208 1.00 0.00 H new ATOM 768 N LEU A 50 4.272 7.616 0.983 1.00 0.00 N ATOM 769 CA LEU A 50 2.889 8.079 0.963 1.00 0.00 C ATOM 770 C LEU A 50 2.508 8.708 2.299 1.00 0.00 C ATOM 771 O LEU A 50 2.656 8.089 3.352 1.00 0.00 O ATOM 772 CB LEU A 50 1.945 6.917 0.644 1.00 0.00 C ATOM 773 CG LEU A 50 1.889 6.515 -0.831 1.00 0.00 C ATOM 774 CD1 LEU A 50 0.923 5.357 -1.032 1.00 0.00 C ATOM 775 CD2 LEU A 50 1.488 7.704 -1.692 1.00 0.00 C ATOM 0 H LEU A 50 4.431 6.788 1.557 1.00 0.00 H new ATOM 0 HA LEU A 50 2.796 8.837 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.250 6.050 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.940 7.185 0.970 1.00 0.00 H new ATOM 0 HG LEU A 50 2.883 6.189 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.896 5.085 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.254 4.501 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.074 5.655 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.453 7.400 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.505 8.061 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.218 8.504 -1.571 1.00 0.00 H new ATOM 787 N LYS A 51 2.018 9.942 2.248 1.00 0.00 N ATOM 788 CA LYS A 51 1.620 10.656 3.456 1.00 0.00 C ATOM 789 C LYS A 51 0.218 10.245 3.897 1.00 0.00 C ATOM 790 O LYS A 51 -0.776 10.641 3.287 1.00 0.00 O ATOM 791 CB LYS A 51 1.671 12.167 3.223 1.00 0.00 C ATOM 792 CG LYS A 51 0.984 12.612 1.943 1.00 0.00 C ATOM 793 CD LYS A 51 1.986 12.867 0.831 1.00 0.00 C ATOM 794 CE LYS A 51 1.589 14.068 -0.013 1.00 0.00 C ATOM 795 NZ LYS A 51 2.766 14.702 -0.670 1.00 0.00 N ATOM 0 H LYS A 51 1.887 10.468 1.384 1.00 0.00 H new ATOM 0 HA LYS A 51 2.321 10.394 4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.205 12.672 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.713 12.486 3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.274 11.848 1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.412 13.520 2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.974 13.034 1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.060 11.984 0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.874 13.756 -0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.086 14.802 0.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.451 15.516 -1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.438 15.023 0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.232 14.009 -1.290 1.00 0.00 H new ATOM 809 N TYR A 52 0.147 9.452 4.960 1.00 0.00 N ATOM 810 CA TYR A 52 -1.132 8.990 5.488 1.00 0.00 C ATOM 811 C TYR A 52 -1.946 10.162 6.029 1.00 0.00 C ATOM 812 O TYR A 52 -1.420 11.023 6.734 1.00 0.00 O ATOM 813 CB TYR A 52 -0.902 7.951 6.590 1.00 0.00 C ATOM 814 CG TYR A 52 -2.146 7.600 7.378 1.00 0.00 C ATOM 815 CD1 TYR A 52 -3.266 7.067 6.751 1.00 0.00 C ATOM 816 CD2 TYR A 52 -2.195 7.797 8.752 1.00 0.00 C ATOM 817 CE1 TYR A 52 -4.398 6.741 7.470 1.00 0.00 C ATOM 818 CE2 TYR A 52 -3.325 7.475 9.478 1.00 0.00 C ATOM 819 CZ TYR A 52 -4.424 6.948 8.833 1.00 0.00 C ATOM 820 OH TYR A 52 -5.550 6.624 9.554 1.00 0.00 O ATOM 0 H TYR A 52 0.961 9.115 5.474 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.694 8.527 4.677 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.502 7.043 6.140 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.144 8.327 7.277 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.250 6.905 5.683 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.336 8.209 9.261 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.259 6.326 6.968 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.348 7.635 10.546 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.293 6.367 10.464 1.00 0.00 H new ATOM 830 N GLN A 53 -3.231 10.189 5.692 1.00 0.00 N ATOM 831 CA GLN A 53 -4.115 11.255 6.145 1.00 0.00 C ATOM 832 C GLN A 53 -5.397 10.686 6.743 1.00 0.00 C ATOM 833 O GLN A 53 -6.299 10.264 6.019 1.00 0.00 O ATOM 834 CB GLN A 53 -4.455 12.194 4.985 1.00 0.00 C ATOM 835 CG GLN A 53 -3.241 12.651 4.194 1.00 0.00 C ATOM 836 CD GLN A 53 -2.871 14.093 4.472 1.00 0.00 C ATOM 837 OE1 GLN A 53 -2.873 14.537 5.621 1.00 0.00 O ATOM 838 NE2 GLN A 53 -2.551 14.837 3.419 1.00 0.00 N ATOM 0 H GLN A 53 -3.682 9.486 5.107 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.593 11.817 6.919 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.148 11.689 4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.973 13.069 5.377 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.393 12.010 4.435 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.440 12.530 3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.562 14.429 2.484 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.294 15.816 3.545 1.00 0.00 H new ATOM 847 N GLU A 54 -5.473 10.682 8.070 1.00 0.00 N ATOM 848 CA GLU A 54 -6.646 10.168 8.767 1.00 0.00 C ATOM 849 C GLU A 54 -7.900 10.945 8.372 1.00 0.00 C ATOM 850 O GLU A 54 -9.017 10.443 8.502 1.00 0.00 O ATOM 851 CB GLU A 54 -6.437 10.245 10.282 1.00 0.00 C ATOM 852 CG GLU A 54 -6.241 8.887 10.937 1.00 0.00 C ATOM 853 CD GLU A 54 -6.545 8.907 12.422 1.00 0.00 C ATOM 854 OE1 GLU A 54 -5.867 9.655 13.157 1.00 0.00 O ATOM 855 OE2 GLU A 54 -7.461 8.173 12.849 1.00 0.00 O ATOM 0 H GLU A 54 -4.736 11.029 8.684 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.783 9.126 8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.567 10.869 10.490 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.298 10.737 10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.884 8.156 10.448 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.213 8.559 10.785 1.00 0.00 H new ATOM 862 N ASN A 55 -7.710 12.171 7.889 1.00 0.00 N ATOM 863 CA ASN A 55 -8.832 13.009 7.478 1.00 0.00 C ATOM 864 C ASN A 55 -9.665 12.313 6.408 1.00 0.00 C ATOM 865 O ASN A 55 -10.880 12.458 6.369 1.00 0.00 O ATOM 866 CB ASN A 55 -8.327 14.356 6.955 1.00 0.00 C ATOM 867 CG ASN A 55 -7.163 14.209 5.994 1.00 0.00 C ATOM 868 OD1 ASN A 55 -7.165 13.335 5.129 1.00 0.00 O ATOM 869 ND2 ASN A 55 -6.162 15.069 6.143 1.00 0.00 N ATOM 0 H ASN A 55 -6.794 12.604 7.773 1.00 0.00 H new ATOM 0 HA ASN A 55 -9.463 13.181 8.350 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.143 14.876 6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.022 14.977 7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.352 15.020 5.525 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.204 15.778 6.875 1.00 0.00 H new ATOM 876 N ALA A 56 -9.001 11.554 5.545 1.00 0.00 N ATOM 877 CA ALA A 56 -9.683 10.831 4.481 1.00 0.00 C ATOM 878 C ALA A 56 -10.040 9.415 4.923 1.00 0.00 C ATOM 879 O ALA A 56 -10.400 8.571 4.100 1.00 0.00 O ATOM 880 CB ALA A 56 -8.817 10.787 3.231 1.00 0.00 C ATOM 0 H ALA A 56 -7.990 11.424 5.562 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.608 11.361 4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.341 10.243 2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.612 11.803 2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.877 10.283 3.457 1.00 0.00 H new ATOM 886 N TYR A 57 -9.958 9.159 6.227 1.00 0.00 N ATOM 887 CA TYR A 57 -10.270 7.846 6.773 1.00 0.00 C ATOM 888 C TYR A 57 -11.030 7.971 8.095 1.00 0.00 C ATOM 889 O TYR A 57 -11.020 7.054 8.917 1.00 0.00 O ATOM 890 CB TYR A 57 -8.998 7.036 6.975 1.00 0.00 C ATOM 891 CG TYR A 57 -8.179 6.885 5.714 1.00 0.00 C ATOM 892 CD1 TYR A 57 -8.652 6.136 4.646 1.00 0.00 C ATOM 893 CD2 TYR A 57 -6.933 7.489 5.592 1.00 0.00 C ATOM 894 CE1 TYR A 57 -7.910 5.994 3.489 1.00 0.00 C ATOM 895 CE2 TYR A 57 -6.184 7.351 4.438 1.00 0.00 C ATOM 896 CZ TYR A 57 -6.678 6.603 3.391 1.00 0.00 C ATOM 897 OH TYR A 57 -5.936 6.462 2.241 1.00 0.00 O ATOM 0 H TYR A 57 -9.677 9.848 6.925 1.00 0.00 H new ATOM 0 HA TYR A 57 -10.907 7.327 6.057 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.388 7.515 7.741 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.261 6.047 7.350 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.617 5.656 4.720 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.544 8.075 6.411 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.294 5.409 2.666 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.218 7.826 4.357 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.490 6.057 1.542 1.00 0.00 H new ATOM 907 N ARG A 58 -11.680 9.111 8.295 1.00 0.00 N ATOM 908 CA ARG A 58 -12.440 9.354 9.517 1.00 0.00 C ATOM 909 C ARG A 58 -13.860 9.828 9.193 1.00 0.00 C ATOM 910 O ARG A 58 -14.460 10.580 9.958 1.00 0.00 O ATOM 911 CB ARG A 58 -11.730 10.393 10.387 1.00 0.00 C ATOM 912 CG ARG A 58 -10.780 9.784 11.408 1.00 0.00 C ATOM 913 CD ARG A 58 -10.710 10.626 12.671 1.00 0.00 C ATOM 914 NE ARG A 58 -9.715 10.123 13.610 1.00 0.00 N ATOM 915 CZ ARG A 58 -9.204 10.843 14.605 1.00 0.00 C ATOM 916 NH1 ARG A 58 -9.597 12.097 14.798 1.00 0.00 N ATOM 917 NH2 ARG A 58 -8.296 10.308 15.412 1.00 0.00 N ATOM 0 H ARG A 58 -11.697 9.882 7.628 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.506 8.415 10.066 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.172 11.073 9.744 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -12.478 10.990 10.909 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.110 8.776 11.659 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.785 9.694 10.973 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.471 11.656 12.407 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.688 10.639 13.152 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.391 9.162 13.497 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.295 12.513 14.181 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.201 12.644 15.563 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.990 9.345 15.269 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.904 10.860 16.175 1.00 0.00 H new