USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 592 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 55 GLN : amide:sc= 0.974 K(o=0.98,f=-1.8) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 160:sc= 0.00567 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 80:sc= -0.418 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -51:sc= 2.23 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 56:sc= 0.00396 USER MOD Single : A 24 ASN : amide:sc= -2.13 K(o=-2.1,f=-4.4) USER MOD Single : A 26 ASN : amide:sc= 0.127 K(o=0.13,f=-3.9!) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.0178 F(o=-1.4!,f=-0.018) USER MOD Single : A 38 MET CE :methyl -153:sc= -0.0747 (180deg=-2.85!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 47 ASN : amide:sc= 0.254 X(o=0.25,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= -0.0493 (180deg=-0.367) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 -6.625 11.903 0.059 1.00 0.42 N ATOM 33 CA VAL A 3 -5.772 11.067 -0.797 1.00 40.34 C ATOM 34 C VAL A 3 -6.248 11.083 -2.258 1.00 53.21 C ATOM 35 O VAL A 3 -7.422 10.833 -2.543 1.00 31.14 O ATOM 36 CB VAL A 3 -5.734 9.604 -0.288 1.00 43.43 C ATOM 37 CG1 VAL A 3 -4.847 8.735 -1.180 1.00 11.15 C ATOM 38 CG2 VAL A 3 -5.264 9.552 1.168 1.00 33.22 C ATOM 0 HA VAL A 3 -4.768 11.490 -0.751 1.00 40.34 H new ATOM 0 HB VAL A 3 -6.746 9.203 -0.334 1.00 43.43 H new ATOM 0 HG11 VAL A 3 -4.838 7.713 -0.800 1.00 11.15 H new ATOM 0 HG12 VAL A 3 -5.238 8.740 -2.197 1.00 11.15 H new ATOM 0 HG13 VAL A 3 -3.831 9.131 -1.179 1.00 11.15 H new ATOM 0 HG21 VAL A 3 -5.244 8.516 1.507 1.00 33.22 H new ATOM 0 HG22 VAL A 3 -4.263 9.978 1.243 1.00 33.22 H new ATOM 0 HG23 VAL A 3 -5.950 10.125 1.792 1.00 33.22 H new ATOM 48 N GLU A 4 -5.330 11.379 -3.176 1.00 42.13 N ATOM 49 CA GLU A 4 -5.642 11.413 -4.610 1.00 41.31 C ATOM 50 C GLU A 4 -4.868 10.330 -5.379 1.00 3.13 C ATOM 51 O GLU A 4 -3.684 10.093 -5.117 1.00 62.22 O ATOM 52 CB GLU A 4 -5.319 12.794 -5.194 1.00 50.23 C ATOM 53 CG GLU A 4 -6.149 13.923 -4.596 1.00 5.24 C ATOM 54 CD GLU A 4 -5.821 15.274 -5.210 1.00 61.20 C ATOM 55 OE1 GLU A 4 -6.402 15.612 -6.264 1.00 20.43 O ATOM 56 OE2 GLU A 4 -4.977 16.001 -4.645 1.00 62.23 O ATOM 0 H GLU A 4 -4.359 11.600 -2.954 1.00 42.13 H new ATOM 0 HA GLU A 4 -6.708 11.214 -4.720 1.00 41.31 H new ATOM 0 HB2 GLU A 4 -4.262 13.008 -5.034 1.00 50.23 H new ATOM 0 HB3 GLU A 4 -5.479 12.769 -6.272 1.00 50.23 H new ATOM 0 HG2 GLU A 4 -7.208 13.708 -4.742 1.00 5.24 H new ATOM 0 HG3 GLU A 4 -5.978 13.965 -3.520 1.00 5.24 H new ATOM 63 N PRO A 5 -5.526 9.664 -6.349 1.00 53.53 N ATOM 64 CA PRO A 5 -4.898 8.597 -7.151 1.00 21.23 C ATOM 65 C PRO A 5 -3.695 9.092 -7.982 1.00 55.33 C ATOM 66 O PRO A 5 -3.855 9.591 -9.097 1.00 42.33 O ATOM 67 CB PRO A 5 -6.038 8.115 -8.072 1.00 40.34 C ATOM 68 CG PRO A 5 -7.294 8.595 -7.422 1.00 71.15 C ATOM 69 CD PRO A 5 -6.931 9.886 -6.743 1.00 22.54 C ATOM 0 HA PRO A 5 -4.485 7.813 -6.517 1.00 21.23 H new ATOM 0 HB2 PRO A 5 -5.933 8.525 -9.077 1.00 40.34 H new ATOM 0 HB3 PRO A 5 -6.034 7.029 -8.168 1.00 40.34 H new ATOM 0 HG2 PRO A 5 -8.083 8.748 -8.159 1.00 71.15 H new ATOM 0 HG3 PRO A 5 -7.667 7.865 -6.703 1.00 71.15 H new ATOM 0 HD2 PRO A 5 -7.033 10.739 -7.414 1.00 22.54 H new ATOM 0 HD3 PRO A 5 -7.567 10.082 -5.880 1.00 22.54 H new ATOM 77 N GLY A 6 -2.493 8.949 -7.431 1.00 33.11 N ATOM 78 CA GLY A 6 -1.283 9.389 -8.121 1.00 63.14 C ATOM 79 C GLY A 6 -0.275 10.067 -7.191 1.00 64.24 C ATOM 80 O GLY A 6 0.880 10.275 -7.565 1.00 2.21 O ATOM 0 H GLY A 6 -2.330 8.534 -6.513 1.00 33.11 H new ATOM 0 HA2 GLY A 6 -0.810 8.529 -8.596 1.00 63.14 H new ATOM 0 HA3 GLY A 6 -1.557 10.082 -8.917 1.00 63.14 H new ATOM 84 N LYS A 7 -0.710 10.407 -5.977 1.00 72.12 N ATOM 85 CA LYS A 7 0.145 11.118 -5.013 1.00 4.30 C ATOM 86 C LYS A 7 1.136 10.177 -4.297 1.00 32.34 C ATOM 87 O LYS A 7 0.859 8.991 -4.093 1.00 21.20 O ATOM 88 CB LYS A 7 -0.727 11.843 -3.976 1.00 4.23 C ATOM 89 CG LYS A 7 -1.645 12.906 -4.570 1.00 23.50 C ATOM 90 CD LYS A 7 -0.854 14.052 -5.201 1.00 14.50 C ATOM 91 CE LYS A 7 -1.773 15.124 -5.774 1.00 40.33 C ATOM 92 NZ LYS A 7 -1.010 16.287 -6.297 1.00 64.22 N ATOM 0 H LYS A 7 -1.649 10.204 -5.634 1.00 72.12 H new ATOM 0 HA LYS A 7 0.734 11.841 -5.576 1.00 4.30 H new ATOM 0 HB2 LYS A 7 -1.334 11.107 -3.449 1.00 4.23 H new ATOM 0 HB3 LYS A 7 -0.079 12.311 -3.235 1.00 4.23 H new ATOM 0 HG2 LYS A 7 -2.288 12.451 -5.323 1.00 23.50 H new ATOM 0 HG3 LYS A 7 -2.297 13.300 -3.790 1.00 23.50 H new ATOM 0 HD2 LYS A 7 -0.199 14.497 -4.452 1.00 14.50 H new ATOM 0 HD3 LYS A 7 -0.215 13.660 -5.992 1.00 14.50 H new ATOM 0 HE2 LYS A 7 -2.375 14.695 -6.575 1.00 40.33 H new ATOM 0 HE3 LYS A 7 -2.464 15.461 -5.001 1.00 40.33 H new ATOM 0 HZ1 LYS A 7 -1.672 16.993 -6.678 1.00 64.22 H new ATOM 0 HZ2 LYS A 7 -0.455 16.712 -5.527 1.00 64.22 H new ATOM 0 HZ3 LYS A 7 -0.369 15.970 -7.052 1.00 64.22 H new ATOM 106 N PHE A 8 2.290 10.726 -3.917 1.00 51.34 N ATOM 107 CA PHE A 8 3.336 9.967 -3.216 1.00 52.02 C ATOM 108 C PHE A 8 3.189 10.085 -1.686 1.00 63.10 C ATOM 109 O PHE A 8 3.047 11.187 -1.152 1.00 53.45 O ATOM 110 CB PHE A 8 4.724 10.483 -3.637 1.00 24.13 C ATOM 111 CG PHE A 8 5.040 10.293 -5.106 1.00 24.52 C ATOM 112 CD1 PHE A 8 4.329 10.978 -6.083 1.00 74.21 C ATOM 113 CD2 PHE A 8 6.052 9.435 -5.505 1.00 22.45 C ATOM 114 CE1 PHE A 8 4.620 10.807 -7.422 1.00 73.21 C ATOM 115 CE2 PHE A 8 6.345 9.260 -6.843 1.00 22.40 C ATOM 116 CZ PHE A 8 5.629 9.946 -7.802 1.00 15.23 C ATOM 0 H PHE A 8 2.529 11.704 -4.083 1.00 51.34 H new ATOM 0 HA PHE A 8 3.229 8.917 -3.490 1.00 52.02 H new ATOM 0 HB2 PHE A 8 4.793 11.544 -3.397 1.00 24.13 H new ATOM 0 HB3 PHE A 8 5.484 9.972 -3.045 1.00 24.13 H new ATOM 0 HD1 PHE A 8 3.538 11.653 -5.792 1.00 74.21 H new ATOM 0 HD2 PHE A 8 6.619 8.896 -4.760 1.00 22.45 H new ATOM 0 HE1 PHE A 8 4.059 11.346 -8.171 1.00 73.21 H new ATOM 0 HE2 PHE A 8 7.135 8.586 -7.139 1.00 22.40 H new ATOM 0 HZ PHE A 8 5.858 9.809 -8.849 1.00 15.23 H new ATOM 126 N TYR A 9 3.228 8.948 -0.983 1.00 53.35 N ATOM 127 CA TYR A 9 3.120 8.934 0.487 1.00 62.44 C ATOM 128 C TYR A 9 4.096 7.924 1.119 1.00 14.01 C ATOM 129 O TYR A 9 4.655 7.066 0.436 1.00 43.21 O ATOM 130 CB TYR A 9 1.693 8.562 0.926 1.00 25.12 C ATOM 131 CG TYR A 9 0.591 9.451 0.375 1.00 22.24 C ATOM 132 CD1 TYR A 9 0.284 10.670 0.974 1.00 64.24 C ATOM 133 CD2 TYR A 9 -0.157 9.059 -0.733 1.00 52.23 C ATOM 134 CE1 TYR A 9 -0.728 11.472 0.481 1.00 25.02 C ATOM 135 CE2 TYR A 9 -1.172 9.853 -1.226 1.00 54.24 C ATOM 136 CZ TYR A 9 -1.455 11.058 -0.619 1.00 63.52 C ATOM 137 OH TYR A 9 -2.467 11.849 -1.110 1.00 23.21 O ATOM 0 H TYR A 9 3.333 8.025 -1.404 1.00 53.35 H new ATOM 0 HA TYR A 9 3.369 9.939 0.828 1.00 62.44 H new ATOM 0 HB2 TYR A 9 1.494 7.534 0.623 1.00 25.12 H new ATOM 0 HB3 TYR A 9 1.647 8.588 2.015 1.00 25.12 H new ATOM 0 HD1 TYR A 9 0.846 10.994 1.838 1.00 64.24 H new ATOM 0 HD2 TYR A 9 0.061 8.117 -1.214 1.00 52.23 H new ATOM 0 HE1 TYR A 9 -0.950 12.418 0.953 1.00 25.02 H new ATOM 0 HE2 TYR A 9 -1.743 9.532 -2.085 1.00 54.24 H new ATOM 0 HH TYR A 9 -2.085 12.564 -1.661 1.00 23.21 H new ATOM 147 N LYS A 10 4.300 8.040 2.432 1.00 43.31 N ATOM 148 CA LYS A 10 4.991 7.000 3.209 1.00 13.03 C ATOM 149 C LYS A 10 3.987 6.255 4.101 1.00 24.24 C ATOM 150 O LYS A 10 3.301 6.865 4.928 1.00 4.11 O ATOM 151 CB LYS A 10 6.103 7.588 4.092 1.00 43.14 C ATOM 152 CG LYS A 10 6.872 6.521 4.878 1.00 70.20 C ATOM 153 CD LYS A 10 7.706 7.111 6.014 1.00 13.32 C ATOM 154 CE LYS A 10 8.811 8.035 5.519 1.00 14.33 C ATOM 155 NZ LYS A 10 9.636 8.543 6.644 1.00 52.23 N ATOM 0 H LYS A 10 3.998 8.843 2.984 1.00 43.31 H new ATOM 0 HA LYS A 10 5.446 6.312 2.496 1.00 13.03 H new ATOM 0 HB2 LYS A 10 6.801 8.143 3.466 1.00 43.14 H new ATOM 0 HB3 LYS A 10 5.665 8.301 4.791 1.00 43.14 H new ATOM 0 HG2 LYS A 10 6.166 5.799 5.288 1.00 70.20 H new ATOM 0 HG3 LYS A 10 7.526 5.976 4.198 1.00 70.20 H new ATOM 0 HD2 LYS A 10 7.052 7.663 6.689 1.00 13.32 H new ATOM 0 HD3 LYS A 10 8.149 6.300 6.592 1.00 13.32 H new ATOM 0 HE2 LYS A 10 9.446 7.500 4.813 1.00 14.33 H new ATOM 0 HE3 LYS A 10 8.372 8.874 4.980 1.00 14.33 H new ATOM 0 HZ1 LYS A 10 10.379 9.169 6.274 1.00 52.23 H new ATOM 0 HZ2 LYS A 10 9.033 9.074 7.305 1.00 52.23 H new ATOM 0 HZ3 LYS A 10 10.074 7.742 7.142 1.00 52.23 H new ATOM 169 N GLY A 11 3.903 4.943 3.940 1.00 55.45 N ATOM 170 CA GLY A 11 2.980 4.149 4.739 1.00 43.22 C ATOM 171 C GLY A 11 3.656 2.991 5.462 1.00 31.40 C ATOM 172 O GLY A 11 4.790 2.636 5.155 1.00 13.31 O ATOM 0 H GLY A 11 4.457 4.409 3.270 1.00 55.45 H new ATOM 0 HA2 GLY A 11 2.497 4.794 5.472 1.00 43.22 H new ATOM 0 HA3 GLY A 11 2.195 3.757 4.093 1.00 43.22 H new ATOM 176 N VAL A 12 2.957 2.397 6.424 1.00 30.43 N ATOM 177 CA VAL A 12 3.500 1.274 7.195 1.00 41.02 C ATOM 178 C VAL A 12 2.749 -0.037 6.896 1.00 23.11 C ATOM 179 O VAL A 12 1.514 -0.063 6.839 1.00 41.53 O ATOM 180 CB VAL A 12 3.452 1.567 8.718 1.00 72.23 C ATOM 181 CG1 VAL A 12 2.018 1.807 9.192 1.00 75.00 C ATOM 182 CG2 VAL A 12 4.110 0.438 9.510 1.00 4.25 C ATOM 0 H VAL A 12 2.012 2.672 6.692 1.00 30.43 H new ATOM 0 HA VAL A 12 4.539 1.153 6.889 1.00 41.02 H new ATOM 0 HB VAL A 12 4.017 2.481 8.900 1.00 72.23 H new ATOM 0 HG11 VAL A 12 2.018 2.009 10.263 1.00 75.00 H new ATOM 0 HG12 VAL A 12 1.597 2.661 8.661 1.00 75.00 H new ATOM 0 HG13 VAL A 12 1.415 0.922 8.990 1.00 75.00 H new ATOM 0 HG21 VAL A 12 4.064 0.666 10.575 1.00 4.25 H new ATOM 0 HG22 VAL A 12 3.584 -0.497 9.316 1.00 4.25 H new ATOM 0 HG23 VAL A 12 5.152 0.339 9.205 1.00 4.25 H new ATOM 192 N VAL A 13 3.503 -1.118 6.693 1.00 5.12 N ATOM 193 CA VAL A 13 2.923 -2.442 6.439 1.00 32.31 C ATOM 194 C VAL A 13 2.217 -2.994 7.688 1.00 14.34 C ATOM 195 O VAL A 13 2.834 -3.163 8.739 1.00 0.40 O ATOM 196 CB VAL A 13 4.006 -3.449 5.975 1.00 5.20 C ATOM 197 CG1 VAL A 13 3.395 -4.825 5.706 1.00 31.25 C ATOM 198 CG2 VAL A 13 4.735 -2.927 4.737 1.00 64.13 C ATOM 0 H VAL A 13 4.523 -1.104 6.699 1.00 5.12 H new ATOM 0 HA VAL A 13 2.188 -2.318 5.644 1.00 32.31 H new ATOM 0 HB VAL A 13 4.734 -3.556 6.779 1.00 5.20 H new ATOM 0 HG11 VAL A 13 4.176 -5.513 5.382 1.00 31.25 H new ATOM 0 HG12 VAL A 13 2.934 -5.203 6.619 1.00 31.25 H new ATOM 0 HG13 VAL A 13 2.639 -4.741 4.926 1.00 31.25 H new ATOM 0 HG21 VAL A 13 5.491 -3.649 4.428 1.00 64.13 H new ATOM 0 HG22 VAL A 13 4.020 -2.782 3.928 1.00 64.13 H new ATOM 0 HG23 VAL A 13 5.215 -1.977 4.971 1.00 64.13 H new ATOM 208 N THR A 14 0.922 -3.280 7.559 1.00 32.44 N ATOM 209 CA THR A 14 0.106 -3.748 8.691 1.00 63.23 C ATOM 210 C THR A 14 -0.067 -5.272 8.694 1.00 52.33 C ATOM 211 O THR A 14 0.072 -5.916 9.731 1.00 2.25 O ATOM 212 CB THR A 14 -1.293 -3.085 8.695 1.00 54.31 C ATOM 213 OG1 THR A 14 -2.019 -3.429 7.502 1.00 13.20 O ATOM 214 CG2 THR A 14 -1.170 -1.572 8.790 1.00 75.23 C ATOM 0 H THR A 14 0.409 -3.197 6.681 1.00 32.44 H new ATOM 0 HA THR A 14 0.649 -3.457 9.590 1.00 63.23 H new ATOM 0 HB THR A 14 -1.835 -3.455 9.565 1.00 54.31 H new ATOM 0 HG1 THR A 14 -1.460 -3.252 6.717 1.00 13.20 H new ATOM 0 HG21 THR A 14 -2.164 -1.125 8.791 1.00 75.23 H new ATOM 0 HG22 THR A 14 -0.652 -1.306 9.711 1.00 75.23 H new ATOM 0 HG23 THR A 14 -0.606 -1.198 7.936 1.00 75.23 H new ATOM 222 N ARG A 15 -0.384 -5.854 7.540 1.00 20.32 N ATOM 223 CA ARG A 15 -0.527 -7.313 7.438 1.00 51.30 C ATOM 224 C ARG A 15 -0.092 -7.836 6.064 1.00 73.20 C ATOM 225 O ARG A 15 -0.299 -7.180 5.041 1.00 53.22 O ATOM 226 CB ARG A 15 -1.971 -7.752 7.730 1.00 32.21 C ATOM 227 CG ARG A 15 -3.029 -7.135 6.815 1.00 71.21 C ATOM 228 CD ARG A 15 -4.390 -7.794 7.024 1.00 1.10 C ATOM 229 NE ARG A 15 -5.462 -7.127 6.280 1.00 44.44 N ATOM 230 CZ ARG A 15 -6.419 -7.756 5.649 1.00 40.12 C ATOM 231 NH1 ARG A 15 -6.396 -9.047 5.531 1.00 12.40 N ATOM 232 NH2 ARG A 15 -7.377 -7.086 5.098 1.00 11.01 N ATOM 0 H ARG A 15 -0.546 -5.349 6.669 1.00 20.32 H new ATOM 0 HA ARG A 15 0.133 -7.746 8.190 1.00 51.30 H new ATOM 0 HB2 ARG A 15 -2.029 -8.837 7.648 1.00 32.21 H new ATOM 0 HB3 ARG A 15 -2.211 -7.497 8.762 1.00 32.21 H new ATOM 0 HG2 ARG A 15 -3.105 -6.066 7.012 1.00 71.21 H new ATOM 0 HG3 ARG A 15 -2.724 -7.246 5.775 1.00 71.21 H new ATOM 0 HD2 ARG A 15 -4.335 -8.838 6.716 1.00 1.10 H new ATOM 0 HD3 ARG A 15 -4.633 -7.788 8.087 1.00 1.10 H new ATOM 0 HE ARG A 15 -5.462 -6.107 6.253 1.00 44.44 H new ATOM 0 HH11 ARG A 15 -5.626 -9.582 5.933 1.00 12.40 H new ATOM 0 HH12 ARG A 15 -7.148 -9.527 5.037 1.00 12.40 H new ATOM 0 HH21 ARG A 15 -7.386 -6.068 5.156 1.00 11.01 H new ATOM 0 HH22 ARG A 15 -8.124 -7.576 4.605 1.00 11.01 H new ATOM 246 N ILE A 16 0.508 -9.024 6.059 1.00 31.05 N ATOM 247 CA ILE A 16 0.971 -9.664 4.825 1.00 51.30 C ATOM 248 C ILE A 16 -0.068 -10.670 4.298 1.00 61.34 C ATOM 249 O ILE A 16 -0.352 -11.686 4.940 1.00 33.14 O ATOM 250 CB ILE A 16 2.317 -10.402 5.048 1.00 54.44 C ATOM 251 CG1 ILE A 16 3.379 -9.441 5.611 1.00 74.42 C ATOM 252 CG2 ILE A 16 2.802 -11.043 3.747 1.00 73.31 C ATOM 253 CD1 ILE A 16 3.694 -8.269 4.702 1.00 44.50 C ATOM 0 H ILE A 16 0.687 -9.569 6.902 1.00 31.05 H new ATOM 0 HA ILE A 16 1.112 -8.872 4.089 1.00 51.30 H new ATOM 0 HB ILE A 16 2.155 -11.194 5.779 1.00 54.44 H new ATOM 0 HG12 ILE A 16 3.036 -9.060 6.573 1.00 74.42 H new ATOM 0 HG13 ILE A 16 4.296 -9.999 5.798 1.00 74.42 H new ATOM 0 HG21 ILE A 16 3.747 -11.556 3.924 1.00 73.31 H new ATOM 0 HG22 ILE A 16 2.060 -11.761 3.396 1.00 73.31 H new ATOM 0 HG23 ILE A 16 2.945 -10.270 2.992 1.00 73.31 H new ATOM 0 HD11 ILE A 16 4.451 -7.639 5.170 1.00 44.50 H new ATOM 0 HD12 ILE A 16 4.069 -8.639 3.748 1.00 44.50 H new ATOM 0 HD13 ILE A 16 2.789 -7.685 4.534 1.00 44.50 H new ATOM 265 N GLU A 17 -0.642 -10.376 3.137 1.00 53.11 N ATOM 266 CA GLU A 17 -1.584 -11.289 2.484 1.00 44.22 C ATOM 267 C GLU A 17 -0.949 -11.939 1.244 1.00 62.50 C ATOM 268 O GLU A 17 -0.054 -11.369 0.613 1.00 50.13 O ATOM 269 CB GLU A 17 -2.864 -10.542 2.077 1.00 62.42 C ATOM 270 CG GLU A 17 -3.606 -9.877 3.234 1.00 43.02 C ATOM 271 CD GLU A 17 -4.179 -10.870 4.234 1.00 70.15 C ATOM 272 OE1 GLU A 17 -4.869 -11.820 3.808 1.00 64.34 O ATOM 273 OE2 GLU A 17 -3.968 -10.688 5.452 1.00 32.55 O ATOM 0 H GLU A 17 -0.473 -9.511 2.624 1.00 53.11 H new ATOM 0 HA GLU A 17 -1.839 -12.072 3.198 1.00 44.22 H new ATOM 0 HB2 GLU A 17 -2.606 -9.780 1.342 1.00 62.42 H new ATOM 0 HB3 GLU A 17 -3.538 -11.244 1.586 1.00 62.42 H new ATOM 0 HG2 GLU A 17 -2.925 -9.202 3.753 1.00 43.02 H new ATOM 0 HG3 GLU A 17 -4.416 -9.267 2.834 1.00 43.02 H new ATOM 280 N LYS A 18 -1.435 -13.121 0.883 1.00 63.33 N ATOM 281 CA LYS A 18 -0.928 -13.850 -0.287 1.00 20.34 C ATOM 282 C LYS A 18 -1.249 -13.124 -1.608 1.00 3.33 C ATOM 283 O LYS A 18 -0.823 -13.548 -2.682 1.00 62.31 O ATOM 284 CB LYS A 18 -1.514 -15.268 -0.303 1.00 20.43 C ATOM 285 CG LYS A 18 -1.133 -16.094 0.922 1.00 34.12 C ATOM 286 CD LYS A 18 -1.901 -17.413 0.986 1.00 75.41 C ATOM 287 CE LYS A 18 -3.405 -17.185 1.095 1.00 2.21 C ATOM 288 NZ LYS A 18 -4.152 -18.463 1.242 1.00 44.12 N ATOM 0 H LYS A 18 -2.183 -13.602 1.383 1.00 63.33 H new ATOM 0 HA LYS A 18 0.158 -13.900 -0.205 1.00 20.34 H new ATOM 0 HB2 LYS A 18 -2.600 -15.204 -0.365 1.00 20.43 H new ATOM 0 HB3 LYS A 18 -1.173 -15.784 -1.201 1.00 20.43 H new ATOM 0 HG2 LYS A 18 -0.063 -16.299 0.902 1.00 34.12 H new ATOM 0 HG3 LYS A 18 -1.330 -15.516 1.825 1.00 34.12 H new ATOM 0 HD2 LYS A 18 -1.686 -18.003 0.095 1.00 75.41 H new ATOM 0 HD3 LYS A 18 -1.558 -17.993 1.843 1.00 75.41 H new ATOM 0 HE2 LYS A 18 -3.613 -16.543 1.951 1.00 2.21 H new ATOM 0 HE3 LYS A 18 -3.757 -16.659 0.208 1.00 2.21 H new ATOM 0 HZ1 LYS A 18 -5.170 -18.264 1.313 1.00 44.12 H new ATOM 0 HZ2 LYS A 18 -3.974 -19.066 0.414 1.00 44.12 H new ATOM 0 HZ3 LYS A 18 -3.835 -18.954 2.102 1.00 44.12 H new ATOM 302 N TYR A 19 -2.002 -12.028 -1.518 1.00 51.03 N ATOM 303 CA TYR A 19 -2.355 -11.210 -2.687 1.00 25.43 C ATOM 304 C TYR A 19 -1.898 -9.750 -2.512 1.00 3.34 C ATOM 305 O TYR A 19 -2.329 -8.859 -3.248 1.00 41.35 O ATOM 306 CB TYR A 19 -3.872 -11.277 -2.930 1.00 3.24 C ATOM 307 CG TYR A 19 -4.714 -11.036 -1.684 1.00 15.34 C ATOM 308 CD1 TYR A 19 -5.084 -12.095 -0.856 1.00 50.44 C ATOM 309 CD2 TYR A 19 -5.140 -9.757 -1.336 1.00 64.22 C ATOM 310 CE1 TYR A 19 -5.844 -11.886 0.278 1.00 2.43 C ATOM 311 CE2 TYR A 19 -5.901 -9.541 -0.201 1.00 5.21 C ATOM 312 CZ TYR A 19 -6.252 -10.609 0.602 1.00 5.12 C ATOM 313 OH TYR A 19 -7.010 -10.399 1.737 1.00 71.42 O ATOM 0 H TYR A 19 -2.385 -11.680 -0.639 1.00 51.03 H new ATOM 0 HA TYR A 19 -1.835 -11.613 -3.556 1.00 25.43 H new ATOM 0 HB2 TYR A 19 -4.141 -10.538 -3.685 1.00 3.24 H new ATOM 0 HB3 TYR A 19 -4.120 -12.256 -3.339 1.00 3.24 H new ATOM 0 HD1 TYR A 19 -4.770 -13.098 -1.106 1.00 50.44 H new ATOM 0 HD2 TYR A 19 -4.872 -8.919 -1.963 1.00 64.22 H new ATOM 0 HE1 TYR A 19 -6.118 -12.719 0.908 1.00 2.43 H new ATOM 0 HE2 TYR A 19 -6.219 -8.542 0.056 1.00 5.21 H new ATOM 0 HH TYR A 19 -6.533 -10.749 2.518 1.00 71.42 H new ATOM 323 N GLY A 20 -1.018 -9.516 -1.535 1.00 73.21 N ATOM 324 CA GLY A 20 -0.499 -8.174 -1.285 1.00 62.24 C ATOM 325 C GLY A 20 -0.414 -7.824 0.200 1.00 73.22 C ATOM 326 O GLY A 20 -0.975 -8.516 1.041 1.00 24.34 O ATOM 0 H GLY A 20 -0.654 -10.235 -0.909 1.00 73.21 H new ATOM 0 HA2 GLY A 20 0.493 -8.087 -1.729 1.00 62.24 H new ATOM 0 HA3 GLY A 20 -1.137 -7.446 -1.786 1.00 62.24 H new ATOM 330 N ALA A 21 0.288 -6.742 0.522 1.00 21.34 N ATOM 331 CA ALA A 21 0.413 -6.282 1.910 1.00 15.40 C ATOM 332 C ALA A 21 -0.414 -5.010 2.157 1.00 1.20 C ATOM 333 O ALA A 21 -0.270 -4.018 1.443 1.00 42.25 O ATOM 334 CB ALA A 21 1.879 -6.036 2.252 1.00 74.44 C ATOM 0 H ALA A 21 0.782 -6.163 -0.157 1.00 21.34 H new ATOM 0 HA ALA A 21 0.021 -7.065 2.560 1.00 15.40 H new ATOM 0 HB1 ALA A 21 1.960 -5.695 3.284 1.00 74.44 H new ATOM 0 HB2 ALA A 21 2.441 -6.962 2.131 1.00 74.44 H new ATOM 0 HB3 ALA A 21 2.285 -5.275 1.586 1.00 74.44 H new ATOM 340 N PHE A 22 -1.277 -5.037 3.169 1.00 11.44 N ATOM 341 CA PHE A 22 -2.098 -3.865 3.507 1.00 61.22 C ATOM 342 C PHE A 22 -1.283 -2.811 4.267 1.00 61.43 C ATOM 343 O PHE A 22 -0.578 -3.130 5.222 1.00 21.23 O ATOM 344 CB PHE A 22 -3.327 -4.283 4.324 1.00 35.23 C ATOM 345 CG PHE A 22 -4.404 -4.932 3.490 1.00 51.15 C ATOM 346 CD1 PHE A 22 -4.347 -6.282 3.179 1.00 21.34 C ATOM 347 CD2 PHE A 22 -5.469 -4.184 3.007 1.00 71.52 C ATOM 348 CE1 PHE A 22 -5.328 -6.871 2.403 1.00 12.25 C ATOM 349 CE2 PHE A 22 -6.453 -4.770 2.234 1.00 42.23 C ATOM 350 CZ PHE A 22 -6.381 -6.114 1.933 1.00 10.04 C ATOM 0 H PHE A 22 -1.430 -5.848 3.768 1.00 11.44 H new ATOM 0 HA PHE A 22 -2.436 -3.417 2.572 1.00 61.22 H new ATOM 0 HB2 PHE A 22 -3.016 -4.975 5.107 1.00 35.23 H new ATOM 0 HB3 PHE A 22 -3.741 -3.405 4.820 1.00 35.23 H new ATOM 0 HD1 PHE A 22 -3.527 -6.880 3.547 1.00 21.34 H new ATOM 0 HD2 PHE A 22 -5.529 -3.131 3.238 1.00 71.52 H new ATOM 0 HE1 PHE A 22 -5.270 -7.923 2.165 1.00 12.25 H new ATOM 0 HE2 PHE A 22 -7.277 -4.177 1.866 1.00 42.23 H new ATOM 0 HZ PHE A 22 -7.149 -6.574 1.329 1.00 10.04 H new ATOM 360 N ILE A 23 -1.406 -1.553 3.850 1.00 53.22 N ATOM 361 CA ILE A 23 -0.575 -0.465 4.385 1.00 63.44 C ATOM 362 C ILE A 23 -1.414 0.713 4.918 1.00 62.22 C ATOM 363 O ILE A 23 -2.412 1.103 4.313 1.00 24.41 O ATOM 364 CB ILE A 23 0.395 0.057 3.291 1.00 13.40 C ATOM 365 CG1 ILE A 23 1.402 -1.038 2.897 1.00 32.12 C ATOM 366 CG2 ILE A 23 1.124 1.315 3.754 1.00 23.32 C ATOM 367 CD1 ILE A 23 2.388 -0.613 1.827 1.00 31.01 C ATOM 0 H ILE A 23 -2.075 -1.256 3.140 1.00 53.22 H new ATOM 0 HA ILE A 23 -0.014 -0.882 5.221 1.00 63.44 H new ATOM 0 HB ILE A 23 -0.197 0.318 2.414 1.00 13.40 H new ATOM 0 HG12 ILE A 23 1.955 -1.345 3.785 1.00 32.12 H new ATOM 0 HG13 ILE A 23 0.854 -1.912 2.545 1.00 32.12 H new ATOM 0 HG21 ILE A 23 1.796 1.657 2.967 1.00 23.32 H new ATOM 0 HG22 ILE A 23 0.397 2.096 3.975 1.00 23.32 H new ATOM 0 HG23 ILE A 23 1.701 1.092 4.652 1.00 23.32 H new ATOM 0 HD11 ILE A 23 3.063 -1.440 1.605 1.00 31.01 H new ATOM 0 HD12 ILE A 23 1.846 -0.334 0.923 1.00 31.01 H new ATOM 0 HD13 ILE A 23 2.965 0.241 2.182 1.00 31.01 H new ATOM 379 N ASN A 24 -0.996 1.269 6.060 1.00 41.02 N ATOM 380 CA ASN A 24 -1.608 2.489 6.612 1.00 5.00 C ATOM 381 C ASN A 24 -0.795 3.739 6.250 1.00 22.31 C ATOM 382 O ASN A 24 0.394 3.824 6.559 1.00 52.54 O ATOM 383 CB ASN A 24 -1.725 2.422 8.144 1.00 61.05 C ATOM 384 CG ASN A 24 -2.770 1.444 8.639 1.00 34.00 C ATOM 385 OD1 ASN A 24 -3.753 1.174 7.967 1.00 63.23 O ATOM 386 ND2 ASN A 24 -2.577 0.929 9.835 1.00 13.45 N ATOM 0 H ASN A 24 -0.233 0.894 6.624 1.00 41.02 H new ATOM 0 HA ASN A 24 -2.603 2.555 6.171 1.00 5.00 H new ATOM 0 HB2 ASN A 24 -0.757 2.145 8.560 1.00 61.05 H new ATOM 0 HB3 ASN A 24 -1.963 3.416 8.524 1.00 61.05 H new ATOM 0 HD21 ASN A 24 -3.261 0.282 10.228 1.00 13.45 H new ATOM 0 HD22 ASN A 24 -1.744 1.177 10.369 1.00 13.45 H new ATOM 393 N LEU A 25 -1.437 4.704 5.592 1.00 32.25 N ATOM 394 CA LEU A 25 -0.850 6.041 5.429 1.00 41.12 C ATOM 395 C LEU A 25 -1.196 6.896 6.654 1.00 54.45 C ATOM 396 O LEU A 25 -0.406 7.724 7.112 1.00 73.11 O ATOM 397 CB LEU A 25 -1.385 6.724 4.162 1.00 70.43 C ATOM 398 CG LEU A 25 -1.154 5.964 2.848 1.00 42.45 C ATOM 399 CD1 LEU A 25 -1.712 6.759 1.670 1.00 13.21 C ATOM 400 CD2 LEU A 25 0.330 5.655 2.641 1.00 2.41 C ATOM 0 H LEU A 25 -2.356 4.590 5.165 1.00 32.25 H new ATOM 0 HA LEU A 25 0.231 5.938 5.335 1.00 41.12 H new ATOM 0 HB2 LEU A 25 -2.456 6.886 4.283 1.00 70.43 H new ATOM 0 HB3 LEU A 25 -0.922 7.707 4.078 1.00 70.43 H new ATOM 0 HG LEU A 25 -1.684 5.014 2.908 1.00 42.45 H new ATOM 0 HD11 LEU A 25 -1.541 6.208 0.745 1.00 13.21 H new ATOM 0 HD12 LEU A 25 -2.782 6.912 1.809 1.00 13.21 H new ATOM 0 HD13 LEU A 25 -1.212 7.726 1.614 1.00 13.21 H new ATOM 0 HD21 LEU A 25 0.462 5.116 1.703 1.00 2.41 H new ATOM 0 HD22 LEU A 25 0.894 6.587 2.607 1.00 2.41 H new ATOM 0 HD23 LEU A 25 0.692 5.041 3.466 1.00 2.41 H new ATOM 412 N ASN A 26 -2.392 6.651 7.173 1.00 22.32 N ATOM 413 CA ASN A 26 -2.928 7.331 8.350 1.00 24.40 C ATOM 414 C ASN A 26 -4.017 6.445 8.978 1.00 14.40 C ATOM 415 O ASN A 26 -4.496 5.515 8.334 1.00 12.45 O ATOM 416 CB ASN A 26 -3.493 8.707 7.946 1.00 71.30 C ATOM 417 CG ASN A 26 -4.077 9.490 9.110 1.00 52.51 C ATOM 418 OD1 ASN A 26 -3.679 9.320 10.256 1.00 2.20 O ATOM 419 ND2 ASN A 26 -5.019 10.365 8.824 1.00 62.15 N ATOM 0 H ASN A 26 -3.032 5.960 6.781 1.00 22.32 H new ATOM 0 HA ASN A 26 -2.140 7.497 9.084 1.00 24.40 H new ATOM 0 HB2 ASN A 26 -2.700 9.295 7.485 1.00 71.30 H new ATOM 0 HB3 ASN A 26 -4.265 8.566 7.190 1.00 71.30 H new ATOM 0 HD21 ASN A 26 -5.438 10.924 9.567 1.00 62.15 H new ATOM 0 HD22 ASN A 26 -5.329 10.484 7.860 1.00 62.15 H new ATOM 426 N GLU A 27 -4.402 6.726 10.221 1.00 40.41 N ATOM 427 CA GLU A 27 -5.425 5.926 10.923 1.00 64.03 C ATOM 428 C GLU A 27 -6.655 5.633 10.033 1.00 54.52 C ATOM 429 O GLU A 27 -7.082 4.486 9.897 1.00 13.15 O ATOM 430 CB GLU A 27 -5.881 6.649 12.197 1.00 33.21 C ATOM 431 CG GLU A 27 -6.928 5.880 12.998 1.00 41.11 C ATOM 432 CD GLU A 27 -7.480 6.671 14.171 1.00 23.24 C ATOM 433 OE1 GLU A 27 -8.429 7.454 13.968 1.00 12.41 O ATOM 434 OE2 GLU A 27 -6.978 6.505 15.303 1.00 4.15 O ATOM 0 H GLU A 27 -4.026 7.499 10.770 1.00 40.41 H new ATOM 0 HA GLU A 27 -4.962 4.973 11.178 1.00 64.03 H new ATOM 0 HB2 GLU A 27 -5.013 6.831 12.831 1.00 33.21 H new ATOM 0 HB3 GLU A 27 -6.288 7.623 11.925 1.00 33.21 H new ATOM 0 HG2 GLU A 27 -7.749 5.600 12.338 1.00 41.11 H new ATOM 0 HG3 GLU A 27 -6.487 4.954 13.367 1.00 41.11 H new ATOM 441 N GLN A 28 -7.207 6.679 9.420 1.00 11.33 N ATOM 442 CA GLN A 28 -8.418 6.548 8.591 1.00 35.42 C ATOM 443 C GLN A 28 -8.103 6.103 7.146 1.00 55.13 C ATOM 444 O GLN A 28 -9.016 5.890 6.347 1.00 2.42 O ATOM 445 CB GLN A 28 -9.182 7.883 8.569 1.00 70.25 C ATOM 446 CG GLN A 28 -9.615 8.381 9.948 1.00 43.13 C ATOM 447 CD GLN A 28 -10.581 7.438 10.649 1.00 14.35 C ATOM 448 OE1 GLN A 28 -10.053 6.513 11.424 1.00 23.41 O flip ATOM 449 NE2 GLN A 28 -11.792 7.542 10.497 1.00 12.24 N flip ATOM 0 H GLN A 28 -6.840 7.629 9.478 1.00 11.33 H new ATOM 0 HA GLN A 28 -9.034 5.770 9.042 1.00 35.42 H new ATOM 0 HB2 GLN A 28 -8.553 8.641 8.103 1.00 70.25 H new ATOM 0 HB3 GLN A 28 -10.066 7.772 7.941 1.00 70.25 H new ATOM 0 HG2 GLN A 28 -8.732 8.516 10.572 1.00 43.13 H new ATOM 0 HG3 GLN A 28 -10.084 9.359 9.843 1.00 43.13 H new ATOM 0 HE21 GLN A 28 -12.169 8.270 9.890 1.00 12.24 H new ATOM 0 HE22 GLN A 28 -12.423 6.901 10.978 1.00 12.24 H new ATOM 458 N VAL A 29 -6.817 5.953 6.814 1.00 10.11 N ATOM 459 CA VAL A 29 -6.404 5.604 5.442 1.00 75.14 C ATOM 460 C VAL A 29 -5.599 4.288 5.392 1.00 35.54 C ATOM 461 O VAL A 29 -4.421 4.254 5.761 1.00 31.41 O ATOM 462 CB VAL A 29 -5.551 6.736 4.805 1.00 61.44 C ATOM 463 CG1 VAL A 29 -5.186 6.400 3.359 1.00 62.43 C ATOM 464 CG2 VAL A 29 -6.279 8.080 4.885 1.00 52.30 C ATOM 0 H VAL A 29 -6.044 6.066 7.470 1.00 10.11 H new ATOM 0 HA VAL A 29 -7.325 5.473 4.873 1.00 75.14 H new ATOM 0 HB VAL A 29 -4.625 6.819 5.375 1.00 61.44 H new ATOM 0 HG11 VAL A 29 -4.589 7.209 2.937 1.00 62.43 H new ATOM 0 HG12 VAL A 29 -4.611 5.474 3.335 1.00 62.43 H new ATOM 0 HG13 VAL A 29 -6.097 6.277 2.773 1.00 62.43 H new ATOM 0 HG21 VAL A 29 -5.661 8.856 4.433 1.00 52.30 H new ATOM 0 HG22 VAL A 29 -7.227 8.013 4.351 1.00 52.30 H new ATOM 0 HG23 VAL A 29 -6.468 8.330 5.929 1.00 52.30 H new ATOM 474 N ARG A 30 -6.238 3.216 4.914 1.00 63.41 N ATOM 475 CA ARG A 30 -5.585 1.903 4.785 1.00 31.13 C ATOM 476 C ARG A 30 -5.847 1.298 3.395 1.00 70.24 C ATOM 477 O ARG A 30 -6.993 1.214 2.954 1.00 14.41 O ATOM 478 CB ARG A 30 -6.099 0.950 5.880 1.00 44.24 C ATOM 479 CG ARG A 30 -5.335 -0.376 5.971 1.00 4.22 C ATOM 480 CD ARG A 30 -5.838 -1.239 7.132 1.00 64.21 C ATOM 481 NE ARG A 30 -4.939 -2.361 7.431 1.00 44.22 N ATOM 482 CZ ARG A 30 -5.272 -3.397 8.159 1.00 23.31 C ATOM 483 NH1 ARG A 30 -6.467 -3.510 8.640 1.00 62.43 N ATOM 484 NH2 ARG A 30 -4.399 -4.323 8.410 1.00 14.23 N ATOM 0 H ARG A 30 -7.211 3.229 4.608 1.00 63.41 H new ATOM 0 HA ARG A 30 -4.510 2.039 4.904 1.00 31.13 H new ATOM 0 HB2 ARG A 30 -6.040 1.457 6.843 1.00 44.24 H new ATOM 0 HB3 ARG A 30 -7.152 0.737 5.695 1.00 44.24 H new ATOM 0 HG2 ARG A 30 -5.445 -0.924 5.035 1.00 4.22 H new ATOM 0 HG3 ARG A 30 -4.271 -0.175 6.100 1.00 4.22 H new ATOM 0 HD2 ARG A 30 -5.947 -0.618 8.021 1.00 64.21 H new ATOM 0 HD3 ARG A 30 -6.828 -1.626 6.890 1.00 64.21 H new ATOM 0 HE ARG A 30 -3.995 -2.331 7.047 1.00 44.22 H new ATOM 0 HH11 ARG A 30 -7.162 -2.787 8.454 1.00 62.43 H new ATOM 0 HH12 ARG A 30 -6.714 -4.322 9.206 1.00 62.43 H new ATOM 0 HH21 ARG A 30 -3.452 -4.245 8.040 1.00 14.23 H new ATOM 0 HH22 ARG A 30 -4.660 -5.130 8.977 1.00 14.23 H new ATOM 498 N GLY A 31 -4.787 0.873 2.711 1.00 73.12 N ATOM 499 CA GLY A 31 -4.935 0.308 1.370 1.00 55.23 C ATOM 500 C GLY A 31 -4.150 -0.985 1.166 1.00 61.41 C ATOM 501 O GLY A 31 -3.729 -1.621 2.133 1.00 4.05 O ATOM 0 H GLY A 31 -3.828 0.908 3.056 1.00 73.12 H new ATOM 0 HA2 GLY A 31 -5.991 0.117 1.179 1.00 55.23 H new ATOM 0 HA3 GLY A 31 -4.606 1.043 0.636 1.00 55.23 H new ATOM 505 N LEU A 32 -3.934 -1.364 -0.096 1.00 25.24 N ATOM 506 CA LEU A 32 -3.279 -2.638 -0.431 1.00 71.42 C ATOM 507 C LEU A 32 -2.107 -2.452 -1.413 1.00 45.42 C ATOM 508 O LEU A 32 -2.230 -1.767 -2.428 1.00 23.52 O ATOM 509 CB LEU A 32 -4.312 -3.604 -1.032 1.00 44.33 C ATOM 510 CG LEU A 32 -3.763 -4.974 -1.470 1.00 22.15 C ATOM 511 CD1 LEU A 32 -3.170 -5.728 -0.283 1.00 1.52 C ATOM 512 CD2 LEU A 32 -4.856 -5.802 -2.143 1.00 4.55 C ATOM 0 H LEU A 32 -4.203 -0.807 -0.907 1.00 25.24 H new ATOM 0 HA LEU A 32 -2.869 -3.050 0.491 1.00 71.42 H new ATOM 0 HB2 LEU A 32 -5.102 -3.766 -0.298 1.00 44.33 H new ATOM 0 HB3 LEU A 32 -4.773 -3.124 -1.895 1.00 44.33 H new ATOM 0 HG LEU A 32 -2.967 -4.804 -2.194 1.00 22.15 H new ATOM 0 HD11 LEU A 32 -2.789 -6.693 -0.618 1.00 1.52 H new ATOM 0 HD12 LEU A 32 -2.355 -5.146 0.148 1.00 1.52 H new ATOM 0 HD13 LEU A 32 -3.942 -5.885 0.471 1.00 1.52 H new ATOM 0 HD21 LEU A 32 -4.448 -6.766 -2.445 1.00 4.55 H new ATOM 0 HD22 LEU A 32 -5.677 -5.959 -1.443 1.00 4.55 H new ATOM 0 HD23 LEU A 32 -5.224 -5.273 -3.022 1.00 4.55 H new ATOM 524 N LEU A 33 -0.977 -3.079 -1.097 1.00 32.21 N ATOM 525 CA LEU A 33 0.201 -3.093 -1.976 1.00 45.22 C ATOM 526 C LEU A 33 0.415 -4.500 -2.560 1.00 63.33 C ATOM 527 O LEU A 33 0.729 -5.442 -1.835 1.00 23.02 O ATOM 528 CB LEU A 33 1.436 -2.647 -1.180 1.00 32.22 C ATOM 529 CG LEU A 33 2.781 -2.704 -1.928 1.00 23.51 C ATOM 530 CD1 LEU A 33 2.751 -1.830 -3.178 1.00 25.10 C ATOM 531 CD2 LEU A 33 3.928 -2.290 -1.006 1.00 2.44 C ATOM 0 H LEU A 33 -0.847 -3.593 -0.226 1.00 32.21 H new ATOM 0 HA LEU A 33 0.041 -2.402 -2.804 1.00 45.22 H new ATOM 0 HB2 LEU A 33 1.275 -1.624 -0.842 1.00 32.22 H new ATOM 0 HB3 LEU A 33 1.513 -3.269 -0.288 1.00 32.22 H new ATOM 0 HG LEU A 33 2.948 -3.734 -2.243 1.00 23.51 H new ATOM 0 HD11 LEU A 33 3.713 -1.889 -3.686 1.00 25.10 H new ATOM 0 HD12 LEU A 33 1.965 -2.179 -3.847 1.00 25.10 H new ATOM 0 HD13 LEU A 33 2.553 -0.796 -2.894 1.00 25.10 H new ATOM 0 HD21 LEU A 33 4.870 -2.337 -1.553 1.00 2.44 H new ATOM 0 HD22 LEU A 33 3.763 -1.272 -0.655 1.00 2.44 H new ATOM 0 HD23 LEU A 33 3.971 -2.966 -0.152 1.00 2.44 H new ATOM 543 N ARG A 34 0.250 -4.639 -3.874 1.00 63.52 N ATOM 544 CA ARG A 34 0.286 -5.960 -4.530 1.00 3.13 C ATOM 545 C ARG A 34 1.673 -6.294 -5.114 1.00 40.24 C ATOM 546 O ARG A 34 2.431 -5.399 -5.483 1.00 51.33 O ATOM 547 CB ARG A 34 -0.774 -6.006 -5.634 1.00 61.41 C ATOM 548 CG ARG A 34 -2.197 -5.842 -5.116 1.00 65.01 C ATOM 549 CD ARG A 34 -3.185 -5.622 -6.252 1.00 40.22 C ATOM 550 NE ARG A 34 -2.841 -4.437 -7.033 1.00 65.33 N ATOM 551 CZ ARG A 34 -3.634 -3.424 -7.225 1.00 55.35 C ATOM 552 NH1 ARG A 34 -4.845 -3.443 -6.766 1.00 2.34 N ATOM 553 NH2 ARG A 34 -3.212 -2.398 -7.893 1.00 72.41 N ATOM 0 H ARG A 34 0.090 -3.859 -4.511 1.00 63.52 H new ATOM 0 HA ARG A 34 0.074 -6.712 -3.770 1.00 3.13 H new ATOM 0 HB2 ARG A 34 -0.567 -5.219 -6.359 1.00 61.41 H new ATOM 0 HB3 ARG A 34 -0.695 -6.956 -6.163 1.00 61.41 H new ATOM 0 HG2 ARG A 34 -2.483 -6.729 -4.551 1.00 65.01 H new ATOM 0 HG3 ARG A 34 -2.239 -4.998 -4.428 1.00 65.01 H new ATOM 0 HD2 ARG A 34 -3.196 -6.497 -6.901 1.00 40.22 H new ATOM 0 HD3 ARG A 34 -4.191 -5.513 -5.846 1.00 40.22 H new ATOM 0 HE ARG A 34 -1.914 -4.401 -7.458 1.00 65.33 H new ATOM 0 HH11 ARG A 34 -5.182 -4.256 -6.250 1.00 2.34 H new ATOM 0 HH12 ARG A 34 -5.461 -2.645 -6.920 1.00 2.34 H new ATOM 0 HH21 ARG A 34 -2.262 -2.387 -8.265 1.00 72.41 H new ATOM 0 HH22 ARG A 34 -3.829 -1.601 -8.047 1.00 72.41 H new ATOM 567 N PRO A 35 2.007 -7.601 -5.239 1.00 3.34 N ATOM 568 CA PRO A 35 3.326 -8.046 -5.736 1.00 70.13 C ATOM 569 C PRO A 35 3.648 -7.539 -7.155 1.00 2.22 C ATOM 570 O PRO A 35 4.806 -7.255 -7.471 1.00 22.12 O ATOM 571 CB PRO A 35 3.228 -9.583 -5.708 1.00 41.53 C ATOM 572 CG PRO A 35 1.765 -9.881 -5.664 1.00 40.42 C ATOM 573 CD PRO A 35 1.133 -8.743 -4.911 1.00 53.33 C ATOM 0 HA PRO A 35 4.135 -7.648 -5.123 1.00 70.13 H new ATOM 0 HB2 PRO A 35 3.693 -10.023 -6.590 1.00 41.53 H new ATOM 0 HB3 PRO A 35 3.740 -9.995 -4.838 1.00 41.53 H new ATOM 0 HG2 PRO A 35 1.352 -9.960 -6.670 1.00 40.42 H new ATOM 0 HG3 PRO A 35 1.575 -10.832 -5.166 1.00 40.42 H new ATOM 0 HD2 PRO A 35 0.105 -8.569 -5.230 1.00 53.33 H new ATOM 0 HD3 PRO A 35 1.105 -8.935 -3.838 1.00 53.33 H new ATOM 581 N ARG A 36 2.625 -7.422 -8.005 1.00 61.11 N ATOM 582 CA ARG A 36 2.811 -6.893 -9.366 1.00 53.12 C ATOM 583 C ARG A 36 3.153 -5.392 -9.349 1.00 42.35 C ATOM 584 O ARG A 36 3.763 -4.871 -10.287 1.00 2.33 O ATOM 585 CB ARG A 36 1.554 -7.132 -10.215 1.00 60.33 C ATOM 586 CG ARG A 36 1.279 -8.602 -10.522 1.00 53.30 C ATOM 587 CD ARG A 36 0.049 -8.766 -11.409 1.00 32.55 C ATOM 588 NE ARG A 36 0.174 -8.000 -12.649 1.00 23.31 N ATOM 589 CZ ARG A 36 -0.830 -7.480 -13.305 1.00 25.53 C ATOM 590 NH1 ARG A 36 -2.051 -7.698 -12.934 1.00 3.24 N ATOM 591 NH2 ARG A 36 -0.610 -6.769 -14.361 1.00 11.31 N ATOM 0 H ARG A 36 1.665 -7.683 -7.781 1.00 61.11 H new ATOM 0 HA ARG A 36 3.651 -7.427 -9.811 1.00 53.12 H new ATOM 0 HB2 ARG A 36 0.692 -6.713 -9.695 1.00 60.33 H new ATOM 0 HB3 ARG A 36 1.654 -6.588 -11.154 1.00 60.33 H new ATOM 0 HG2 ARG A 36 2.146 -9.040 -11.016 1.00 53.30 H new ATOM 0 HG3 ARG A 36 1.133 -9.148 -9.590 1.00 53.30 H new ATOM 0 HD2 ARG A 36 -0.092 -9.821 -11.645 1.00 32.55 H new ATOM 0 HD3 ARG A 36 -0.838 -8.439 -10.866 1.00 32.55 H new ATOM 0 HE ARG A 36 1.111 -7.862 -13.028 1.00 23.31 H new ATOM 0 HH11 ARG A 36 -2.240 -8.282 -12.120 1.00 3.24 H new ATOM 0 HH12 ARG A 36 -2.824 -7.285 -13.456 1.00 3.24 H new ATOM 0 HH21 ARG A 36 0.346 -6.614 -14.682 1.00 11.31 H new ATOM 0 HH22 ARG A 36 -1.392 -6.362 -14.874 1.00 11.31 H new ATOM 605 N ASP A 37 2.752 -4.703 -8.279 1.00 1.23 N ATOM 606 CA ASP A 37 3.050 -3.276 -8.110 1.00 54.31 C ATOM 607 C ASP A 37 4.367 -3.064 -7.334 1.00 52.55 C ATOM 608 O ASP A 37 4.743 -1.935 -7.019 1.00 72.40 O ATOM 609 CB ASP A 37 1.882 -2.583 -7.392 1.00 4.51 C ATOM 610 CG ASP A 37 0.581 -2.688 -8.175 1.00 75.30 C ATOM 611 OD1 ASP A 37 0.430 -1.972 -9.188 1.00 42.03 O ATOM 612 OD2 ASP A 37 -0.295 -3.490 -7.792 1.00 64.53 O ATOM 0 H ASP A 37 2.217 -5.111 -7.512 1.00 1.23 H new ATOM 0 HA ASP A 37 3.177 -2.833 -9.098 1.00 54.31 H new ATOM 0 HB2 ASP A 37 1.748 -3.029 -6.407 1.00 4.51 H new ATOM 0 HB3 ASP A 37 2.126 -1.532 -7.236 1.00 4.51 H new ATOM 617 N MET A 38 5.070 -4.160 -7.041 1.00 32.43 N ATOM 618 CA MET A 38 6.354 -4.101 -6.328 1.00 4.53 C ATOM 619 C MET A 38 7.541 -4.066 -7.308 1.00 34.25 C ATOM 620 O MET A 38 7.518 -4.723 -8.351 1.00 4.33 O ATOM 621 CB MET A 38 6.495 -5.309 -5.392 1.00 73.23 C ATOM 622 CG MET A 38 5.421 -5.385 -4.316 1.00 50.54 C ATOM 623 SD MET A 38 5.478 -3.995 -3.166 1.00 12.21 S ATOM 624 CE MET A 38 6.959 -4.360 -2.230 1.00 61.25 C ATOM 0 H MET A 38 4.773 -5.104 -7.286 1.00 32.43 H new ATOM 0 HA MET A 38 6.366 -3.181 -5.743 1.00 4.53 H new ATOM 0 HB2 MET A 38 6.465 -6.222 -5.986 1.00 73.23 H new ATOM 0 HB3 MET A 38 7.473 -5.273 -4.913 1.00 73.23 H new ATOM 0 HG2 MET A 38 4.440 -5.417 -4.791 1.00 50.54 H new ATOM 0 HG3 MET A 38 5.537 -6.315 -3.760 1.00 50.54 H new ATOM 0 HE1 MET A 38 6.879 -3.919 -1.236 1.00 61.25 H new ATOM 0 HE2 MET A 38 7.075 -5.440 -2.140 1.00 61.25 H new ATOM 0 HE3 MET A 38 7.826 -3.944 -2.743 1.00 61.25 H new ATOM 634 N ILE A 39 8.577 -3.294 -6.970 1.00 14.31 N ATOM 635 CA ILE A 39 9.785 -3.207 -7.809 1.00 13.41 C ATOM 636 C ILE A 39 10.961 -3.995 -7.198 1.00 51.34 C ATOM 637 O ILE A 39 11.246 -5.120 -7.611 1.00 53.11 O ATOM 638 CB ILE A 39 10.225 -1.733 -8.040 1.00 73.14 C ATOM 639 CG1 ILE A 39 9.062 -0.898 -8.598 1.00 12.24 C ATOM 640 CG2 ILE A 39 11.434 -1.665 -8.980 1.00 72.42 C ATOM 641 CD1 ILE A 39 8.491 -1.418 -9.902 1.00 55.02 C ATOM 0 H ILE A 39 8.608 -2.721 -6.127 1.00 14.31 H new ATOM 0 HA ILE A 39 9.520 -3.650 -8.769 1.00 13.41 H new ATOM 0 HB ILE A 39 10.517 -1.314 -7.077 1.00 73.14 H new ATOM 0 HG12 ILE A 39 8.266 -0.863 -7.854 1.00 12.24 H new ATOM 0 HG13 ILE A 39 9.404 0.126 -8.747 1.00 12.24 H new ATOM 0 HG21 ILE A 39 11.723 -0.624 -9.126 1.00 72.42 H new ATOM 0 HG22 ILE A 39 12.267 -2.215 -8.542 1.00 72.42 H new ATOM 0 HG23 ILE A 39 11.173 -2.108 -9.941 1.00 72.42 H new ATOM 0 HD11 ILE A 39 7.675 -0.771 -10.226 1.00 55.02 H new ATOM 0 HD12 ILE A 39 9.271 -1.427 -10.663 1.00 55.02 H new ATOM 0 HD13 ILE A 39 8.115 -2.431 -9.756 1.00 55.02 H new ATOM 653 N SER A 40 11.643 -3.398 -6.217 1.00 23.14 N ATOM 654 CA SER A 40 12.798 -4.038 -5.567 1.00 61.14 C ATOM 655 C SER A 40 12.352 -5.092 -4.547 1.00 31.33 C ATOM 656 O SER A 40 12.747 -6.255 -4.622 1.00 3.13 O ATOM 657 CB SER A 40 13.666 -2.984 -4.864 1.00 33.44 C ATOM 658 OG SER A 40 14.007 -1.925 -5.743 1.00 25.55 O ATOM 0 H SER A 40 11.418 -2.472 -5.853 1.00 23.14 H new ATOM 0 HA SER A 40 13.380 -4.533 -6.344 1.00 61.14 H new ATOM 0 HB2 SER A 40 13.131 -2.586 -4.002 1.00 33.44 H new ATOM 0 HB3 SER A 40 14.575 -3.452 -4.486 1.00 33.44 H new ATOM 0 HG SER A 40 14.558 -1.269 -5.267 1.00 25.55 H new ATOM 664 N LEU A 41 11.521 -4.672 -3.593 1.00 14.10 N ATOM 665 CA LEU A 41 11.014 -5.568 -2.549 1.00 64.05 C ATOM 666 C LEU A 41 9.840 -6.420 -3.050 1.00 44.43 C ATOM 667 O LEU A 41 9.002 -5.953 -3.816 1.00 74.25 O ATOM 668 CB LEU A 41 10.566 -4.753 -1.323 1.00 45.42 C ATOM 669 CG LEU A 41 11.686 -4.060 -0.532 1.00 72.20 C ATOM 670 CD1 LEU A 41 11.103 -3.242 0.620 1.00 50.43 C ATOM 671 CD2 LEU A 41 12.690 -5.086 -0.010 1.00 30.15 C ATOM 0 H LEU A 41 11.182 -3.713 -3.520 1.00 14.10 H new ATOM 0 HA LEU A 41 11.827 -6.239 -2.272 1.00 64.05 H new ATOM 0 HB2 LEU A 41 9.858 -3.993 -1.655 1.00 45.42 H new ATOM 0 HB3 LEU A 41 10.027 -5.417 -0.647 1.00 45.42 H new ATOM 0 HG LEU A 41 12.210 -3.380 -1.204 1.00 72.20 H new ATOM 0 HD11 LEU A 41 11.911 -2.759 1.169 1.00 50.43 H new ATOM 0 HD12 LEU A 41 10.429 -2.483 0.223 1.00 50.43 H new ATOM 0 HD13 LEU A 41 10.552 -3.900 1.291 1.00 50.43 H new ATOM 0 HD21 LEU A 41 13.475 -4.576 0.547 1.00 30.15 H new ATOM 0 HD22 LEU A 41 12.181 -5.793 0.645 1.00 30.15 H new ATOM 0 HD23 LEU A 41 13.131 -5.623 -0.850 1.00 30.15 H new ATOM 683 N ARG A 42 9.796 -7.675 -2.617 1.00 74.24 N ATOM 684 CA ARG A 42 8.653 -8.558 -2.872 1.00 71.11 C ATOM 685 C ARG A 42 7.962 -8.928 -1.551 1.00 22.45 C ATOM 686 O ARG A 42 8.551 -8.776 -0.479 1.00 60.10 O ATOM 687 CB ARG A 42 9.115 -9.830 -3.602 1.00 22.02 C ATOM 688 CG ARG A 42 9.714 -9.566 -4.982 1.00 51.24 C ATOM 689 CD ARG A 42 8.692 -8.958 -5.937 1.00 32.13 C ATOM 690 NE ARG A 42 9.270 -8.668 -7.251 1.00 71.41 N ATOM 691 CZ ARG A 42 8.580 -8.270 -8.287 1.00 11.24 C ATOM 692 NH1 ARG A 42 7.290 -8.174 -8.225 1.00 4.31 N ATOM 693 NH2 ARG A 42 9.179 -7.993 -9.397 1.00 64.30 N ATOM 0 H ARG A 42 10.546 -8.112 -2.081 1.00 74.24 H new ATOM 0 HA ARG A 42 7.940 -8.030 -3.505 1.00 71.11 H new ATOM 0 HB2 ARG A 42 9.855 -10.342 -2.987 1.00 22.02 H new ATOM 0 HB3 ARG A 42 8.266 -10.505 -3.708 1.00 22.02 H new ATOM 0 HG2 ARG A 42 10.566 -8.893 -4.886 1.00 51.24 H new ATOM 0 HG3 ARG A 42 10.091 -10.500 -5.399 1.00 51.24 H new ATOM 0 HD2 ARG A 42 7.853 -9.644 -6.054 1.00 32.13 H new ATOM 0 HD3 ARG A 42 8.295 -8.039 -5.505 1.00 32.13 H new ATOM 0 HE ARG A 42 10.277 -8.784 -7.365 1.00 71.41 H new ATOM 0 HH11 ARG A 42 6.802 -8.410 -7.361 1.00 4.31 H new ATOM 0 HH12 ARG A 42 6.762 -7.862 -9.040 1.00 4.31 H new ATOM 0 HH21 ARG A 42 10.193 -8.085 -9.466 1.00 64.30 H new ATOM 0 HH22 ARG A 42 8.639 -7.683 -10.204 1.00 64.30 H new ATOM 707 N LEU A 43 6.721 -9.427 -1.628 1.00 63.33 N ATOM 708 CA LEU A 43 5.961 -9.826 -0.425 1.00 22.23 C ATOM 709 C LEU A 43 6.791 -10.742 0.489 1.00 42.31 C ATOM 710 O LEU A 43 6.628 -10.740 1.709 1.00 54.23 O ATOM 711 CB LEU A 43 4.669 -10.558 -0.817 1.00 13.30 C ATOM 712 CG LEU A 43 3.694 -9.779 -1.715 1.00 3.22 C ATOM 713 CD1 LEU A 43 2.435 -10.606 -1.966 1.00 24.31 C ATOM 714 CD2 LEU A 43 3.336 -8.431 -1.093 1.00 24.14 C ATOM 0 H LEU A 43 6.219 -9.566 -2.505 1.00 63.33 H new ATOM 0 HA LEU A 43 5.718 -8.911 0.116 1.00 22.23 H new ATOM 0 HB2 LEU A 43 4.940 -11.483 -1.327 1.00 13.30 H new ATOM 0 HB3 LEU A 43 4.144 -10.839 0.096 1.00 13.30 H new ATOM 0 HG LEU A 43 4.184 -9.588 -2.670 1.00 3.22 H new ATOM 0 HD11 LEU A 43 1.752 -10.044 -2.603 1.00 24.31 H new ATOM 0 HD12 LEU A 43 2.705 -11.540 -2.459 1.00 24.31 H new ATOM 0 HD13 LEU A 43 1.948 -10.825 -1.016 1.00 24.31 H new ATOM 0 HD21 LEU A 43 2.645 -7.900 -1.748 1.00 24.14 H new ATOM 0 HD22 LEU A 43 2.866 -8.591 -0.123 1.00 24.14 H new ATOM 0 HD23 LEU A 43 4.241 -7.838 -0.963 1.00 24.14 H new ATOM 726 N GLU A 44 7.686 -11.507 -0.129 1.00 31.42 N ATOM 727 CA GLU A 44 8.525 -12.489 0.569 1.00 73.32 C ATOM 728 C GLU A 44 9.338 -11.864 1.720 1.00 11.40 C ATOM 729 O GLU A 44 9.571 -12.508 2.745 1.00 55.44 O ATOM 730 CB GLU A 44 9.482 -13.140 -0.444 1.00 65.51 C ATOM 731 CG GLU A 44 8.781 -13.660 -1.698 1.00 22.01 C ATOM 732 CD GLU A 44 9.742 -14.250 -2.719 1.00 5.12 C ATOM 733 OE1 GLU A 44 10.339 -13.479 -3.503 1.00 33.43 O ATOM 734 OE2 GLU A 44 9.902 -15.489 -2.744 1.00 33.45 O ATOM 0 H GLU A 44 7.854 -11.466 -1.134 1.00 31.42 H new ATOM 0 HA GLU A 44 7.864 -13.234 1.012 1.00 73.32 H new ATOM 0 HB2 GLU A 44 10.239 -12.412 -0.736 1.00 65.51 H new ATOM 0 HB3 GLU A 44 10.004 -13.966 0.040 1.00 65.51 H new ATOM 0 HG2 GLU A 44 8.054 -14.420 -1.412 1.00 22.01 H new ATOM 0 HG3 GLU A 44 8.225 -12.845 -2.160 1.00 22.01 H new ATOM 741 N ASN A 45 9.750 -10.604 1.552 1.00 43.21 N ATOM 742 CA ASN A 45 10.678 -9.951 2.493 1.00 44.00 C ATOM 743 C ASN A 45 10.016 -8.807 3.288 1.00 23.01 C ATOM 744 O ASN A 45 10.702 -8.027 3.954 1.00 32.54 O ATOM 745 CB ASN A 45 11.878 -9.398 1.716 1.00 43.31 C ATOM 746 CG ASN A 45 12.520 -10.435 0.812 1.00 61.50 C ATOM 747 OD1 ASN A 45 12.553 -11.623 1.121 1.00 41.10 O ATOM 748 ND2 ASN A 45 13.019 -9.994 -0.320 1.00 40.31 N ATOM 0 H ASN A 45 9.458 -10.012 0.774 1.00 43.21 H new ATOM 0 HA ASN A 45 10.994 -10.706 3.214 1.00 44.00 H new ATOM 0 HB2 ASN A 45 11.556 -8.548 1.115 1.00 43.31 H new ATOM 0 HB3 ASN A 45 12.622 -9.026 2.421 1.00 43.31 H new ATOM 0 HD21 ASN A 45 13.451 -10.646 -0.975 1.00 40.31 H new ATOM 0 HD22 ASN A 45 12.974 -9.000 -0.544 1.00 40.31 H new ATOM 755 N LEU A 46 8.691 -8.709 3.228 1.00 3.33 N ATOM 756 CA LEU A 46 7.976 -7.617 3.905 1.00 24.24 C ATOM 757 C LEU A 46 7.541 -8.022 5.321 1.00 13.14 C ATOM 758 O LEU A 46 7.062 -9.137 5.543 1.00 35.50 O ATOM 759 CB LEU A 46 6.756 -7.179 3.080 1.00 31.24 C ATOM 760 CG LEU A 46 7.045 -6.816 1.611 1.00 55.01 C ATOM 761 CD1 LEU A 46 5.812 -6.195 0.955 1.00 1.03 C ATOM 762 CD2 LEU A 46 8.255 -5.884 1.498 1.00 72.30 C ATOM 0 H LEU A 46 8.091 -9.362 2.725 1.00 3.33 H new ATOM 0 HA LEU A 46 8.665 -6.777 3.993 1.00 24.24 H new ATOM 0 HB2 LEU A 46 6.019 -7.982 3.100 1.00 31.24 H new ATOM 0 HB3 LEU A 46 6.301 -6.316 3.567 1.00 31.24 H new ATOM 0 HG LEU A 46 7.286 -7.736 1.079 1.00 55.01 H new ATOM 0 HD11 LEU A 46 6.038 -5.946 -0.082 1.00 1.03 H new ATOM 0 HD12 LEU A 46 4.986 -6.906 0.986 1.00 1.03 H new ATOM 0 HD13 LEU A 46 5.531 -5.289 1.493 1.00 1.03 H new ATOM 0 HD21 LEU A 46 8.434 -5.646 0.450 1.00 72.30 H new ATOM 0 HD22 LEU A 46 8.059 -4.965 2.051 1.00 72.30 H new ATOM 0 HD23 LEU A 46 9.134 -6.377 1.913 1.00 72.30 H new ATOM 774 N ASN A 47 7.711 -7.112 6.284 1.00 31.31 N ATOM 775 CA ASN A 47 7.369 -7.392 7.685 1.00 21.10 C ATOM 776 C ASN A 47 6.385 -6.356 8.250 1.00 15.42 C ATOM 777 O ASN A 47 6.391 -5.186 7.856 1.00 21.23 O ATOM 778 CB ASN A 47 8.642 -7.424 8.543 1.00 72.31 C ATOM 779 CG ASN A 47 9.694 -8.356 7.971 1.00 10.11 C ATOM 780 OD1 ASN A 47 9.731 -9.544 8.280 1.00 63.31 O ATOM 781 ND2 ASN A 47 10.559 -7.825 7.131 1.00 34.23 N ATOM 0 H ASN A 47 8.083 -6.176 6.122 1.00 31.31 H new ATOM 0 HA ASN A 47 6.882 -8.367 7.716 1.00 21.10 H new ATOM 0 HB2 ASN A 47 9.053 -6.417 8.618 1.00 72.31 H new ATOM 0 HB3 ASN A 47 8.389 -7.741 9.555 1.00 72.31 H new ATOM 0 HD21 ASN A 47 11.288 -8.405 6.716 1.00 34.23 H new ATOM 0 HD22 ASN A 47 10.499 -6.834 6.896 1.00 34.23 H new ATOM 788 N VAL A 48 5.542 -6.795 9.182 1.00 22.41 N ATOM 789 CA VAL A 48 4.564 -5.916 9.827 1.00 63.13 C ATOM 790 C VAL A 48 5.267 -4.855 10.687 1.00 12.42 C ATOM 791 O VAL A 48 5.872 -5.173 11.712 1.00 24.10 O ATOM 792 CB VAL A 48 3.583 -6.728 10.711 1.00 32.14 C ATOM 793 CG1 VAL A 48 2.595 -5.803 11.417 1.00 21.30 C ATOM 794 CG2 VAL A 48 2.852 -7.775 9.872 1.00 34.44 C ATOM 0 H VAL A 48 5.515 -7.760 9.510 1.00 22.41 H new ATOM 0 HA VAL A 48 4.000 -5.420 9.037 1.00 63.13 H new ATOM 0 HB VAL A 48 4.158 -7.247 11.478 1.00 32.14 H new ATOM 0 HG11 VAL A 48 1.917 -6.396 12.031 1.00 21.30 H new ATOM 0 HG12 VAL A 48 3.140 -5.103 12.050 1.00 21.30 H new ATOM 0 HG13 VAL A 48 2.021 -5.249 10.674 1.00 21.30 H new ATOM 0 HG21 VAL A 48 2.167 -8.337 10.507 1.00 34.44 H new ATOM 0 HG22 VAL A 48 2.289 -7.279 9.081 1.00 34.44 H new ATOM 0 HG23 VAL A 48 3.577 -8.457 9.429 1.00 34.44 H new ATOM 804 N GLY A 49 5.167 -3.594 10.274 1.00 33.24 N ATOM 805 CA GLY A 49 5.864 -2.511 10.965 1.00 73.44 C ATOM 806 C GLY A 49 6.917 -1.815 10.103 1.00 41.32 C ATOM 807 O GLY A 49 7.472 -0.789 10.503 1.00 21.21 O ATOM 0 H GLY A 49 4.614 -3.297 9.470 1.00 33.24 H new ATOM 0 HA2 GLY A 49 5.133 -1.774 11.298 1.00 73.44 H new ATOM 0 HA3 GLY A 49 6.344 -2.910 11.859 1.00 73.44 H new ATOM 811 N ASP A 50 7.208 -2.366 8.922 1.00 5.34 N ATOM 812 CA ASP A 50 8.130 -1.719 7.981 1.00 4.34 C ATOM 813 C ASP A 50 7.462 -0.522 7.276 1.00 33.22 C ATOM 814 O ASP A 50 6.501 -0.688 6.519 1.00 43.42 O ATOM 815 CB ASP A 50 8.643 -2.724 6.936 1.00 12.33 C ATOM 816 CG ASP A 50 9.647 -3.721 7.503 1.00 35.31 C ATOM 817 OD1 ASP A 50 10.377 -3.363 8.457 1.00 60.42 O ATOM 818 OD2 ASP A 50 9.734 -4.854 6.975 1.00 74.11 O ATOM 0 H ASP A 50 6.823 -3.252 8.595 1.00 5.34 H new ATOM 0 HA ASP A 50 8.977 -1.349 8.558 1.00 4.34 H new ATOM 0 HB2 ASP A 50 7.796 -3.269 6.519 1.00 12.33 H new ATOM 0 HB3 ASP A 50 9.107 -2.179 6.114 1.00 12.33 H new ATOM 823 N GLU A 51 7.961 0.685 7.549 1.00 3.41 N ATOM 824 CA GLU A 51 7.470 1.902 6.889 1.00 33.10 C ATOM 825 C GLU A 51 8.155 2.108 5.527 1.00 61.41 C ATOM 826 O GLU A 51 9.370 2.298 5.452 1.00 20.45 O ATOM 827 CB GLU A 51 7.703 3.129 7.787 1.00 43.35 C ATOM 828 CG GLU A 51 6.914 3.099 9.094 1.00 61.42 C ATOM 829 CD GLU A 51 7.158 4.324 9.962 1.00 73.44 C ATOM 830 OE1 GLU A 51 6.441 5.333 9.794 1.00 23.14 O ATOM 831 OE2 GLU A 51 8.070 4.283 10.816 1.00 34.25 O ATOM 0 H GLU A 51 8.707 0.849 8.225 1.00 3.41 H new ATOM 0 HA GLU A 51 6.400 1.784 6.719 1.00 33.10 H new ATOM 0 HB2 GLU A 51 8.766 3.202 8.017 1.00 43.35 H new ATOM 0 HB3 GLU A 51 7.435 4.029 7.233 1.00 43.35 H new ATOM 0 HG2 GLU A 51 5.850 3.026 8.868 1.00 61.42 H new ATOM 0 HG3 GLU A 51 7.183 2.204 9.654 1.00 61.42 H new ATOM 838 N ILE A 52 7.370 2.069 4.455 1.00 32.41 N ATOM 839 CA ILE A 52 7.900 2.200 3.090 1.00 22.15 C ATOM 840 C ILE A 52 7.220 3.357 2.331 1.00 20.24 C ATOM 841 O ILE A 52 6.055 3.677 2.576 1.00 53.12 O ATOM 842 CB ILE A 52 7.704 0.879 2.295 1.00 40.44 C ATOM 843 CG1 ILE A 52 8.355 -0.304 3.042 1.00 53.31 C ATOM 844 CG2 ILE A 52 8.280 1.004 0.883 1.00 42.31 C ATOM 845 CD1 ILE A 52 8.159 -1.648 2.366 1.00 30.42 C ATOM 0 H ILE A 52 6.358 1.947 4.500 1.00 32.41 H new ATOM 0 HA ILE A 52 8.965 2.417 3.176 1.00 22.15 H new ATOM 0 HB ILE A 52 6.634 0.688 2.211 1.00 40.44 H new ATOM 0 HG12 ILE A 52 9.423 -0.112 3.142 1.00 53.31 H new ATOM 0 HG13 ILE A 52 7.944 -0.353 4.050 1.00 53.31 H new ATOM 0 HG21 ILE A 52 8.131 0.068 0.345 1.00 42.31 H new ATOM 0 HG22 ILE A 52 7.773 1.811 0.353 1.00 42.31 H new ATOM 0 HG23 ILE A 52 9.346 1.223 0.943 1.00 42.31 H new ATOM 0 HD11 ILE A 52 8.646 -2.426 2.954 1.00 30.42 H new ATOM 0 HD12 ILE A 52 7.094 -1.865 2.290 1.00 30.42 H new ATOM 0 HD13 ILE A 52 8.596 -1.620 1.368 1.00 30.42 H new ATOM 857 N ILE A 53 7.955 3.987 1.415 1.00 53.34 N ATOM 858 CA ILE A 53 7.396 5.054 0.576 1.00 42.22 C ATOM 859 C ILE A 53 6.651 4.462 -0.632 1.00 41.51 C ATOM 860 O ILE A 53 7.258 3.870 -1.527 1.00 51.04 O ATOM 861 CB ILE A 53 8.498 6.028 0.081 1.00 54.24 C ATOM 862 CG1 ILE A 53 9.203 6.690 1.279 1.00 61.30 C ATOM 863 CG2 ILE A 53 7.906 7.089 -0.852 1.00 45.33 C ATOM 864 CD1 ILE A 53 10.325 7.632 0.889 1.00 22.21 C ATOM 0 H ILE A 53 8.937 3.780 1.233 1.00 53.34 H new ATOM 0 HA ILE A 53 6.694 5.615 1.193 1.00 42.22 H new ATOM 0 HB ILE A 53 9.236 5.457 -0.483 1.00 54.24 H new ATOM 0 HG12 ILE A 53 8.466 7.241 1.862 1.00 61.30 H new ATOM 0 HG13 ILE A 53 9.605 5.911 1.927 1.00 61.30 H new ATOM 0 HG21 ILE A 53 8.696 7.761 -1.187 1.00 45.33 H new ATOM 0 HG22 ILE A 53 7.453 6.602 -1.716 1.00 45.33 H new ATOM 0 HG23 ILE A 53 7.146 7.660 -0.318 1.00 45.33 H new ATOM 0 HD11 ILE A 53 10.771 8.058 1.788 1.00 22.21 H new ATOM 0 HD12 ILE A 53 11.084 7.083 0.332 1.00 22.21 H new ATOM 0 HD13 ILE A 53 9.927 8.434 0.267 1.00 22.21 H new ATOM 876 N VAL A 54 5.329 4.621 -0.644 1.00 50.12 N ATOM 877 CA VAL A 54 4.482 4.048 -1.696 1.00 72.02 C ATOM 878 C VAL A 54 3.597 5.112 -2.364 1.00 75.44 C ATOM 879 O VAL A 54 3.161 6.072 -1.726 1.00 2.55 O ATOM 880 CB VAL A 54 3.579 2.913 -1.142 1.00 45.02 C ATOM 881 CG1 VAL A 54 4.423 1.732 -0.664 1.00 71.53 C ATOM 882 CG2 VAL A 54 2.682 3.430 -0.014 1.00 42.31 C ATOM 0 H VAL A 54 4.816 5.144 0.066 1.00 50.12 H new ATOM 0 HA VAL A 54 5.160 3.637 -2.443 1.00 72.02 H new ATOM 0 HB VAL A 54 2.938 2.567 -1.953 1.00 45.02 H new ATOM 0 HG11 VAL A 54 3.769 0.949 -0.280 1.00 71.53 H new ATOM 0 HG12 VAL A 54 5.007 1.341 -1.497 1.00 71.53 H new ATOM 0 HG13 VAL A 54 5.096 2.062 0.127 1.00 71.53 H new ATOM 0 HG21 VAL A 54 2.059 2.616 0.357 1.00 42.31 H new ATOM 0 HG22 VAL A 54 3.301 3.812 0.797 1.00 42.31 H new ATOM 0 HG23 VAL A 54 2.046 4.230 -0.393 1.00 42.31 H new ATOM 892 N GLN A 55 3.335 4.930 -3.653 1.00 2.41 N ATOM 893 CA GLN A 55 2.485 5.852 -4.411 1.00 4.34 C ATOM 894 C GLN A 55 1.049 5.318 -4.515 1.00 74.35 C ATOM 895 O GLN A 55 0.832 4.173 -4.921 1.00 65.30 O ATOM 896 CB GLN A 55 3.071 6.067 -5.813 1.00 45.53 C ATOM 897 CG GLN A 55 2.266 7.029 -6.683 1.00 71.40 C ATOM 898 CD GLN A 55 2.851 7.182 -8.078 1.00 73.23 C ATOM 899 OE1 GLN A 55 3.471 6.264 -8.608 1.00 73.41 O ATOM 900 NE2 GLN A 55 2.658 8.333 -8.689 1.00 1.42 N ATOM 0 H GLN A 55 3.699 4.150 -4.201 1.00 2.41 H new ATOM 0 HA GLN A 55 2.455 6.805 -3.883 1.00 4.34 H new ATOM 0 HB2 GLN A 55 4.088 6.446 -5.716 1.00 45.53 H new ATOM 0 HB3 GLN A 55 3.137 5.104 -6.319 1.00 45.53 H new ATOM 0 HG2 GLN A 55 1.239 6.671 -6.760 1.00 71.40 H new ATOM 0 HG3 GLN A 55 2.228 8.005 -6.200 1.00 71.40 H new ATOM 0 HE21 GLN A 55 2.139 9.077 -8.223 1.00 1.42 H new ATOM 0 HE22 GLN A 55 3.028 8.480 -9.628 1.00 1.42 H new ATOM 909 N ALA A 56 0.074 6.150 -4.150 1.00 52.12 N ATOM 910 CA ALA A 56 -1.341 5.766 -4.223 1.00 44.33 C ATOM 911 C ALA A 56 -1.811 5.665 -5.682 1.00 71.33 C ATOM 912 O ALA A 56 -1.905 6.672 -6.381 1.00 14.23 O ATOM 913 CB ALA A 56 -2.201 6.765 -3.451 1.00 32.03 C ATOM 0 H ALA A 56 0.235 7.095 -3.800 1.00 52.12 H new ATOM 0 HA ALA A 56 -1.451 4.782 -3.766 1.00 44.33 H new ATOM 0 HB1 ALA A 56 -3.248 6.468 -3.513 1.00 32.03 H new ATOM 0 HB2 ALA A 56 -1.890 6.782 -2.406 1.00 32.03 H new ATOM 0 HB3 ALA A 56 -2.079 7.759 -3.882 1.00 32.03 H new ATOM 919 N ILE A 57 -2.098 4.450 -6.136 1.00 41.23 N ATOM 920 CA ILE A 57 -2.491 4.218 -7.533 1.00 32.34 C ATOM 921 C ILE A 57 -3.942 4.650 -7.789 1.00 42.50 C ATOM 922 O ILE A 57 -4.199 5.597 -8.534 1.00 31.43 O ATOM 923 CB ILE A 57 -2.342 2.727 -7.923 1.00 42.14 C ATOM 924 CG1 ILE A 57 -0.962 2.195 -7.514 1.00 24.11 C ATOM 925 CG2 ILE A 57 -2.552 2.542 -9.425 1.00 5.04 C ATOM 926 CD1 ILE A 57 -0.789 0.711 -7.767 1.00 43.20 C ATOM 0 H ILE A 57 -2.068 3.607 -5.562 1.00 41.23 H new ATOM 0 HA ILE A 57 -1.821 4.821 -8.146 1.00 32.34 H new ATOM 0 HB ILE A 57 -3.105 2.159 -7.390 1.00 42.14 H new ATOM 0 HG12 ILE A 57 -0.194 2.741 -8.061 1.00 24.11 H new ATOM 0 HG13 ILE A 57 -0.803 2.396 -6.455 1.00 24.11 H new ATOM 0 HG21 ILE A 57 -2.443 1.488 -9.680 1.00 5.04 H new ATOM 0 HG22 ILE A 57 -3.552 2.880 -9.697 1.00 5.04 H new ATOM 0 HG23 ILE A 57 -1.811 3.126 -9.971 1.00 5.04 H new ATOM 0 HD11 ILE A 57 0.209 0.403 -7.455 1.00 43.20 H new ATOM 0 HD12 ILE A 57 -1.535 0.156 -7.198 1.00 43.20 H new ATOM 0 HD13 ILE A 57 -0.916 0.506 -8.830 1.00 43.20 H new ATOM 938 N ASP A 58 -4.885 3.942 -7.166 1.00 22.51 N ATOM 939 CA ASP A 58 -6.317 4.218 -7.335 1.00 34.33 C ATOM 940 C ASP A 58 -7.038 4.337 -5.982 1.00 63.21 C ATOM 941 O ASP A 58 -6.694 3.648 -5.018 1.00 34.21 O ATOM 942 CB ASP A 58 -6.974 3.106 -8.164 1.00 10.21 C ATOM 943 CG ASP A 58 -6.476 3.067 -9.597 1.00 73.12 C ATOM 944 OD1 ASP A 58 -6.906 3.921 -10.400 1.00 10.02 O ATOM 945 OD2 ASP A 58 -5.671 2.172 -9.935 1.00 41.22 O ATOM 0 H ASP A 58 -4.683 3.167 -6.535 1.00 22.51 H new ATOM 0 HA ASP A 58 -6.407 5.172 -7.855 1.00 34.33 H new ATOM 0 HB2 ASP A 58 -6.780 2.144 -7.691 1.00 10.21 H new ATOM 0 HB3 ASP A 58 -8.055 3.249 -8.164 1.00 10.21 H new ATOM 950 N VAL A 59 -8.045 5.210 -5.922 1.00 22.35 N ATOM 951 CA VAL A 59 -8.875 5.371 -4.722 1.00 44.22 C ATOM 952 C VAL A 59 -10.350 5.101 -5.059 1.00 61.43 C ATOM 953 O VAL A 59 -11.018 5.932 -5.675 1.00 14.33 O ATOM 954 CB VAL A 59 -8.737 6.795 -4.117 1.00 3.43 C ATOM 955 CG1 VAL A 59 -9.599 6.943 -2.860 1.00 53.40 C ATOM 956 CG2 VAL A 59 -7.270 7.113 -3.813 1.00 31.22 C ATOM 0 H VAL A 59 -8.308 5.821 -6.695 1.00 22.35 H new ATOM 0 HA VAL A 59 -8.526 4.650 -3.983 1.00 44.22 H new ATOM 0 HB VAL A 59 -9.096 7.513 -4.855 1.00 3.43 H new ATOM 0 HG11 VAL A 59 -9.484 7.949 -2.456 1.00 53.40 H new ATOM 0 HG12 VAL A 59 -10.645 6.771 -3.114 1.00 53.40 H new ATOM 0 HG13 VAL A 59 -9.282 6.214 -2.114 1.00 53.40 H new ATOM 0 HG21 VAL A 59 -7.195 8.115 -3.390 1.00 31.22 H new ATOM 0 HG22 VAL A 59 -6.881 6.387 -3.099 1.00 31.22 H new ATOM 0 HG23 VAL A 59 -6.689 7.063 -4.734 1.00 31.22 H new ATOM 966 N ARG A 60 -10.845 3.934 -4.654 1.00 12.24 N ATOM 967 CA ARG A 60 -12.201 3.490 -5.006 1.00 22.15 C ATOM 968 C ARG A 60 -13.155 3.571 -3.800 1.00 74.33 C ATOM 969 O ARG A 60 -13.157 2.682 -2.944 1.00 40.32 O ATOM 970 CB ARG A 60 -12.153 2.044 -5.522 1.00 41.25 C ATOM 971 CG ARG A 60 -11.105 1.803 -6.606 1.00 25.22 C ATOM 972 CD ARG A 60 -11.031 0.330 -6.998 1.00 75.55 C ATOM 973 NE ARG A 60 -9.925 0.050 -7.911 1.00 2.24 N ATOM 974 CZ ARG A 60 -9.245 -1.067 -7.918 1.00 73.42 C ATOM 975 NH1 ARG A 60 -9.537 -2.027 -7.099 1.00 61.31 N ATOM 976 NH2 ARG A 60 -8.288 -1.237 -8.766 1.00 12.24 N ATOM 0 H ARG A 60 -10.327 3.271 -4.077 1.00 12.24 H new ATOM 0 HA ARG A 60 -12.579 4.154 -5.783 1.00 22.15 H new ATOM 0 HB2 ARG A 60 -11.953 1.377 -4.684 1.00 41.25 H new ATOM 0 HB3 ARG A 60 -13.134 1.777 -5.915 1.00 41.25 H new ATOM 0 HG2 ARG A 60 -11.345 2.402 -7.484 1.00 25.22 H new ATOM 0 HG3 ARG A 60 -10.130 2.135 -6.250 1.00 25.22 H new ATOM 0 HD2 ARG A 60 -10.919 -0.277 -6.099 1.00 75.55 H new ATOM 0 HD3 ARG A 60 -11.969 0.034 -7.467 1.00 75.55 H new ATOM 0 HE ARG A 60 -9.667 0.771 -8.585 1.00 2.24 H new ATOM 0 HH11 ARG A 60 -10.306 -1.917 -6.438 1.00 61.31 H new ATOM 0 HH12 ARG A 60 -8.998 -2.893 -7.115 1.00 61.31 H new ATOM 0 HH21 ARG A 60 -8.060 -0.499 -9.433 1.00 12.24 H new ATOM 0 HH22 ARG A 60 -7.759 -2.109 -8.770 1.00 12.24 H new ATOM 990 N PRO A 61 -13.984 4.633 -3.717 1.00 71.03 N ATOM 991 CA PRO A 61 -14.925 4.822 -2.597 1.00 1.13 C ATOM 992 C PRO A 61 -16.003 3.727 -2.535 1.00 54.22 C ATOM 993 O PRO A 61 -16.173 3.068 -1.510 1.00 52.32 O ATOM 994 CB PRO A 61 -15.563 6.196 -2.882 1.00 72.01 C ATOM 995 CG PRO A 61 -14.666 6.846 -3.883 1.00 53.24 C ATOM 996 CD PRO A 61 -14.072 5.731 -4.693 1.00 12.32 C ATOM 0 HA PRO A 61 -14.417 4.767 -1.634 1.00 1.13 H new ATOM 0 HB2 PRO A 61 -16.575 6.087 -3.273 1.00 72.01 H new ATOM 0 HB3 PRO A 61 -15.635 6.793 -1.973 1.00 72.01 H new ATOM 0 HG2 PRO A 61 -15.224 7.535 -4.518 1.00 53.24 H new ATOM 0 HG3 PRO A 61 -13.887 7.427 -3.389 1.00 53.24 H new ATOM 0 HD2 PRO A 61 -14.702 5.468 -5.543 1.00 12.32 H new ATOM 0 HD3 PRO A 61 -13.093 5.997 -5.092 1.00 12.32 H new ATOM 1004 N GLU A 62 -16.711 3.530 -3.651 1.00 62.24 N ATOM 1005 CA GLU A 62 -17.776 2.516 -3.744 1.00 44.45 C ATOM 1006 C GLU A 62 -17.250 1.098 -3.455 1.00 74.24 C ATOM 1007 O GLU A 62 -17.962 0.256 -2.903 1.00 35.12 O ATOM 1008 CB GLU A 62 -18.409 2.554 -5.144 1.00 32.04 C ATOM 1009 CG GLU A 62 -17.412 2.308 -6.277 1.00 63.33 C ATOM 1010 CD GLU A 62 -18.074 2.257 -7.646 1.00 22.53 C ATOM 1011 OE1 GLU A 62 -18.340 3.330 -8.224 1.00 31.24 O ATOM 1012 OE2 GLU A 62 -18.338 1.142 -8.147 1.00 4.33 O ATOM 0 H GLU A 62 -16.568 4.061 -4.510 1.00 62.24 H new ATOM 0 HA GLU A 62 -18.524 2.754 -2.988 1.00 44.45 H new ATOM 0 HB2 GLU A 62 -19.198 1.803 -5.197 1.00 32.04 H new ATOM 0 HB3 GLU A 62 -18.882 3.525 -5.293 1.00 32.04 H new ATOM 0 HG2 GLU A 62 -16.661 3.098 -6.271 1.00 63.33 H new ATOM 0 HG3 GLU A 62 -16.889 1.369 -6.097 1.00 63.33 H new ATOM 1019 N LYS A 63 -16.002 0.839 -3.841 1.00 42.04 N ATOM 1020 CA LYS A 63 -15.391 -0.485 -3.668 1.00 24.52 C ATOM 1021 C LYS A 63 -14.636 -0.599 -2.335 1.00 63.41 C ATOM 1022 O LYS A 63 -14.292 -1.704 -1.908 1.00 74.52 O ATOM 1023 CB LYS A 63 -14.430 -0.774 -4.829 1.00 11.53 C ATOM 1024 CG LYS A 63 -15.085 -0.763 -6.207 1.00 41.30 C ATOM 1025 CD LYS A 63 -16.187 -1.813 -6.320 1.00 73.21 C ATOM 1026 CE LYS A 63 -16.743 -1.901 -7.735 1.00 65.44 C ATOM 1027 NZ LYS A 63 -15.697 -2.285 -8.720 1.00 4.23 N ATOM 0 H LYS A 63 -15.390 1.528 -4.277 1.00 42.04 H new ATOM 0 HA LYS A 63 -16.197 -1.219 -3.660 1.00 24.52 H new ATOM 0 HB2 LYS A 63 -13.630 -0.034 -4.815 1.00 11.53 H new ATOM 0 HB3 LYS A 63 -13.967 -1.748 -4.668 1.00 11.53 H new ATOM 0 HG2 LYS A 63 -15.503 0.225 -6.403 1.00 41.30 H new ATOM 0 HG3 LYS A 63 -14.329 -0.946 -6.970 1.00 41.30 H new ATOM 0 HD2 LYS A 63 -15.794 -2.785 -6.023 1.00 73.21 H new ATOM 0 HD3 LYS A 63 -16.993 -1.570 -5.628 1.00 73.21 H new ATOM 0 HE2 LYS A 63 -17.552 -2.631 -7.762 1.00 65.44 H new ATOM 0 HE3 LYS A 63 -17.171 -0.939 -8.017 1.00 65.44 H new ATOM 0 HZ1 LYS A 63 -16.150 -2.628 -9.591 1.00 4.23 H new ATOM 0 HZ2 LYS A 63 -15.106 -1.458 -8.940 1.00 4.23 H new ATOM 0 HZ3 LYS A 63 -15.102 -3.038 -8.319 1.00 4.23 H new ATOM 1041 N ARG A 64 -14.376 0.543 -1.692 1.00 73.13 N ATOM 1042 CA ARG A 64 -13.624 0.581 -0.430 1.00 61.00 C ATOM 1043 C ARG A 64 -12.187 0.056 -0.621 1.00 42.21 C ATOM 1044 O ARG A 64 -11.596 -0.523 0.289 1.00 32.40 O ATOM 1045 CB ARG A 64 -14.367 -0.223 0.654 1.00 32.54 C ATOM 1046 CG ARG A 64 -15.677 0.425 1.104 1.00 14.03 C ATOM 1047 CD ARG A 64 -16.536 -0.528 1.929 1.00 42.23 C ATOM 1048 NE ARG A 64 -17.119 -1.588 1.106 1.00 41.00 N ATOM 1049 CZ ARG A 64 -16.880 -2.863 1.256 1.00 13.44 C ATOM 1050 NH1 ARG A 64 -16.101 -3.283 2.200 1.00 4.44 N ATOM 1051 NH2 ARG A 64 -17.443 -3.722 0.471 1.00 64.54 N ATOM 0 H ARG A 64 -14.676 1.459 -2.025 1.00 73.13 H new ATOM 0 HA ARG A 64 -13.552 1.619 -0.104 1.00 61.00 H new ATOM 0 HB2 ARG A 64 -14.577 -1.223 0.274 1.00 32.54 H new ATOM 0 HB3 ARG A 64 -13.714 -0.342 1.519 1.00 32.54 H new ATOM 0 HG2 ARG A 64 -15.457 1.315 1.693 1.00 14.03 H new ATOM 0 HG3 ARG A 64 -16.238 0.752 0.229 1.00 14.03 H new ATOM 0 HD2 ARG A 64 -15.929 -0.973 2.718 1.00 42.23 H new ATOM 0 HD3 ARG A 64 -17.333 0.032 2.418 1.00 42.23 H new ATOM 0 HE ARG A 64 -17.758 -1.311 0.361 1.00 41.00 H new ATOM 0 HH11 ARG A 64 -15.666 -2.616 2.837 1.00 4.44 H new ATOM 0 HH12 ARG A 64 -15.922 -4.281 2.307 1.00 4.44 H new ATOM 0 HH21 ARG A 64 -18.073 -3.404 -0.265 1.00 64.54 H new ATOM 0 HH22 ARG A 64 -17.257 -4.718 0.588 1.00 64.54 H new ATOM 1065 N GLU A 65 -11.626 0.299 -1.807 1.00 72.25 N ATOM 1066 CA GLU A 65 -10.269 -0.156 -2.144 1.00 51.23 C ATOM 1067 C GLU A 65 -9.326 1.028 -2.396 1.00 4.15 C ATOM 1068 O GLU A 65 -9.698 1.996 -3.057 1.00 32.24 O ATOM 1069 CB GLU A 65 -10.293 -1.042 -3.400 1.00 62.40 C ATOM 1070 CG GLU A 65 -11.171 -2.281 -3.285 1.00 32.31 C ATOM 1071 CD GLU A 65 -11.174 -3.109 -4.561 1.00 52.14 C ATOM 1072 OE1 GLU A 65 -11.751 -2.652 -5.570 1.00 73.02 O ATOM 1073 OE2 GLU A 65 -10.594 -4.216 -4.568 1.00 4.43 O ATOM 0 H GLU A 65 -12.091 0.811 -2.557 1.00 72.25 H new ATOM 0 HA GLU A 65 -9.902 -0.728 -1.292 1.00 51.23 H new ATOM 0 HB2 GLU A 65 -10.639 -0.445 -4.243 1.00 62.40 H new ATOM 0 HB3 GLU A 65 -9.274 -1.355 -3.628 1.00 62.40 H new ATOM 0 HG2 GLU A 65 -10.820 -2.896 -2.457 1.00 32.31 H new ATOM 0 HG3 GLU A 65 -12.191 -1.979 -3.048 1.00 32.31 H new ATOM 1080 N ILE A 66 -8.107 0.943 -1.873 1.00 4.11 N ATOM 1081 CA ILE A 66 -7.065 1.943 -2.144 1.00 45.30 C ATOM 1082 C ILE A 66 -5.744 1.248 -2.506 1.00 61.14 C ATOM 1083 O ILE A 66 -5.102 0.635 -1.655 1.00 31.43 O ATOM 1084 CB ILE A 66 -6.837 2.886 -0.928 1.00 41.11 C ATOM 1085 CG1 ILE A 66 -8.138 3.624 -0.565 1.00 33.31 C ATOM 1086 CG2 ILE A 66 -5.714 3.885 -1.222 1.00 34.35 C ATOM 1087 CD1 ILE A 66 -8.004 4.572 0.611 1.00 73.40 C ATOM 0 H ILE A 66 -7.809 0.189 -1.254 1.00 4.11 H new ATOM 0 HA ILE A 66 -7.407 2.548 -2.983 1.00 45.30 H new ATOM 0 HB ILE A 66 -6.538 2.278 -0.074 1.00 41.11 H new ATOM 0 HG12 ILE A 66 -8.479 4.186 -1.434 1.00 33.31 H new ATOM 0 HG13 ILE A 66 -8.910 2.888 -0.339 1.00 33.31 H new ATOM 0 HG21 ILE A 66 -5.570 4.535 -0.359 1.00 34.35 H new ATOM 0 HG22 ILE A 66 -4.790 3.344 -1.426 1.00 34.35 H new ATOM 0 HG23 ILE A 66 -5.981 4.488 -2.090 1.00 34.35 H new ATOM 0 HD11 ILE A 66 -8.964 5.052 0.803 1.00 73.40 H new ATOM 0 HD12 ILE A 66 -7.695 4.014 1.495 1.00 73.40 H new ATOM 0 HD13 ILE A 66 -7.257 5.332 0.382 1.00 73.40 H new ATOM 1099 N ASP A 67 -5.343 1.342 -3.770 1.00 70.14 N ATOM 1100 CA ASP A 67 -4.149 0.637 -4.252 1.00 34.23 C ATOM 1101 C ASP A 67 -2.862 1.444 -4.017 1.00 23.54 C ATOM 1102 O ASP A 67 -2.846 2.669 -4.147 1.00 44.52 O ATOM 1103 CB ASP A 67 -4.278 0.326 -5.744 1.00 74.13 C ATOM 1104 CG ASP A 67 -5.551 -0.424 -6.091 1.00 55.40 C ATOM 1105 OD1 ASP A 67 -5.854 -1.436 -5.433 1.00 52.44 O ATOM 1106 OD2 ASP A 67 -6.226 -0.027 -7.061 1.00 72.41 O ATOM 0 H ASP A 67 -5.822 1.896 -4.480 1.00 70.14 H new ATOM 0 HA ASP A 67 -4.079 -0.289 -3.681 1.00 34.23 H new ATOM 0 HB2 ASP A 67 -4.249 1.259 -6.307 1.00 74.13 H new ATOM 0 HB3 ASP A 67 -3.418 -0.264 -6.061 1.00 74.13 H new ATOM 1111 N PHE A 68 -1.782 0.738 -3.682 1.00 22.32 N ATOM 1112 CA PHE A 68 -0.460 1.355 -3.534 1.00 4.22 C ATOM 1113 C PHE A 68 0.563 0.696 -4.467 1.00 33.43 C ATOM 1114 O PHE A 68 0.434 -0.476 -4.822 1.00 22.44 O ATOM 1115 CB PHE A 68 0.028 1.252 -2.080 1.00 42.43 C ATOM 1116 CG PHE A 68 -0.841 1.985 -1.090 1.00 53.12 C ATOM 1117 CD1 PHE A 68 -1.218 3.300 -1.322 1.00 52.53 C ATOM 1118 CD2 PHE A 68 -1.273 1.366 0.077 1.00 31.13 C ATOM 1119 CE1 PHE A 68 -2.011 3.977 -0.417 1.00 75.11 C ATOM 1120 CE2 PHE A 68 -2.065 2.041 0.983 1.00 33.22 C ATOM 1121 CZ PHE A 68 -2.434 3.347 0.738 1.00 23.41 C ATOM 0 H PHE A 68 -1.795 -0.267 -3.507 1.00 22.32 H new ATOM 0 HA PHE A 68 -0.555 2.406 -3.805 1.00 4.22 H new ATOM 0 HB2 PHE A 68 0.076 0.200 -1.797 1.00 42.43 H new ATOM 0 HB3 PHE A 68 1.043 1.646 -2.019 1.00 42.43 H new ATOM 0 HD1 PHE A 68 -0.887 3.800 -2.221 1.00 52.53 H new ATOM 0 HD2 PHE A 68 -0.985 0.344 0.277 1.00 31.13 H new ATOM 0 HE1 PHE A 68 -2.301 4.999 -0.612 1.00 75.11 H new ATOM 0 HE2 PHE A 68 -2.396 1.546 1.884 1.00 33.22 H new ATOM 0 HZ PHE A 68 -3.052 3.877 1.448 1.00 23.41 H new ATOM 1131 N LYS A 69 1.570 1.461 -4.871 1.00 71.23 N ATOM 1132 CA LYS A 69 2.653 0.944 -5.713 1.00 42.35 C ATOM 1133 C LYS A 69 4.016 1.176 -5.049 1.00 3.24 C ATOM 1134 O LYS A 69 4.252 2.223 -4.440 1.00 55.20 O ATOM 1135 CB LYS A 69 2.626 1.620 -7.093 1.00 65.22 C ATOM 1136 CG LYS A 69 3.646 1.051 -8.079 1.00 74.23 C ATOM 1137 CD LYS A 69 3.581 1.740 -9.442 1.00 5.51 C ATOM 1138 CE LYS A 69 3.873 3.233 -9.337 1.00 72.31 C ATOM 1139 NZ LYS A 69 3.853 3.903 -10.664 1.00 41.42 N ATOM 0 H LYS A 69 1.663 2.448 -4.630 1.00 71.23 H new ATOM 0 HA LYS A 69 2.503 -0.128 -5.837 1.00 42.35 H new ATOM 0 HB2 LYS A 69 1.628 1.517 -7.518 1.00 65.22 H new ATOM 0 HB3 LYS A 69 2.811 2.687 -6.968 1.00 65.22 H new ATOM 0 HG2 LYS A 69 4.649 1.162 -7.666 1.00 74.23 H new ATOM 0 HG3 LYS A 69 3.469 -0.017 -8.205 1.00 74.23 H new ATOM 0 HD2 LYS A 69 4.299 1.276 -10.118 1.00 5.51 H new ATOM 0 HD3 LYS A 69 2.592 1.593 -9.877 1.00 5.51 H new ATOM 0 HE2 LYS A 69 3.136 3.701 -8.684 1.00 72.31 H new ATOM 0 HE3 LYS A 69 4.848 3.379 -8.873 1.00 72.31 H new ATOM 0 HZ1 LYS A 69 3.716 4.926 -10.534 1.00 41.42 H new ATOM 0 HZ2 LYS A 69 4.756 3.733 -11.152 1.00 41.42 H new ATOM 0 HZ3 LYS A 69 3.073 3.519 -11.235 1.00 41.42 H new ATOM 1153 N TYR A 70 4.914 0.207 -5.186 1.00 61.10 N ATOM 1154 CA TYR A 70 6.268 0.329 -4.650 1.00 53.05 C ATOM 1155 C TYR A 70 7.169 1.019 -5.677 1.00 24.11 C ATOM 1156 O TYR A 70 7.205 0.628 -6.842 1.00 70.15 O ATOM 1157 CB TYR A 70 6.836 -1.056 -4.305 1.00 42.15 C ATOM 1158 CG TYR A 70 8.229 -1.012 -3.699 1.00 75.13 C ATOM 1159 CD1 TYR A 70 9.360 -1.005 -4.508 1.00 32.14 C ATOM 1160 CD2 TYR A 70 8.408 -0.969 -2.322 1.00 54.03 C ATOM 1161 CE1 TYR A 70 10.625 -0.953 -3.964 1.00 33.41 C ATOM 1162 CE2 TYR A 70 9.674 -0.920 -1.770 1.00 61.11 C ATOM 1163 CZ TYR A 70 10.778 -0.911 -2.596 1.00 32.04 C ATOM 1164 OH TYR A 70 12.038 -0.860 -2.055 1.00 12.12 O ATOM 0 H TYR A 70 4.730 -0.675 -5.665 1.00 61.10 H new ATOM 0 HA TYR A 70 6.232 0.927 -3.739 1.00 53.05 H new ATOM 0 HB2 TYR A 70 6.161 -1.552 -3.607 1.00 42.15 H new ATOM 0 HB3 TYR A 70 6.862 -1.664 -5.209 1.00 42.15 H new ATOM 0 HD1 TYR A 70 9.245 -1.041 -5.581 1.00 32.14 H new ATOM 0 HD2 TYR A 70 7.545 -0.974 -1.673 1.00 54.03 H new ATOM 0 HE1 TYR A 70 11.492 -0.945 -4.607 1.00 33.41 H new ATOM 0 HE2 TYR A 70 9.798 -0.889 -0.698 1.00 61.11 H new ATOM 0 HH TYR A 70 11.973 -0.834 -1.077 1.00 12.12 H new ATOM 1174 N ILE A 71 7.887 2.049 -5.249 1.00 23.14 N ATOM 1175 CA ILE A 71 8.717 2.838 -6.165 1.00 62.11 C ATOM 1176 C ILE A 71 10.133 3.078 -5.613 1.00 73.31 C ATOM 1177 O ILE A 71 10.329 3.207 -4.401 1.00 43.23 O ATOM 1178 CB ILE A 71 8.055 4.209 -6.463 1.00 22.52 C ATOM 1179 CG1 ILE A 71 7.771 4.961 -5.151 1.00 30.42 C ATOM 1180 CG2 ILE A 71 6.770 4.026 -7.270 1.00 63.33 C ATOM 1181 CD1 ILE A 71 7.120 6.311 -5.346 1.00 5.22 C ATOM 0 H ILE A 71 7.915 2.361 -4.278 1.00 23.14 H new ATOM 0 HA ILE A 71 8.801 2.256 -7.083 1.00 62.11 H new ATOM 0 HB ILE A 71 8.746 4.804 -7.060 1.00 22.52 H new ATOM 0 HG12 ILE A 71 7.127 4.345 -4.523 1.00 30.42 H new ATOM 0 HG13 ILE A 71 8.708 5.095 -4.611 1.00 30.42 H new ATOM 0 HG21 ILE A 71 6.323 5.000 -7.468 1.00 63.33 H new ATOM 0 HG22 ILE A 71 7.001 3.534 -8.215 1.00 63.33 H new ATOM 0 HG23 ILE A 71 6.069 3.413 -6.704 1.00 63.33 H new ATOM 0 HD11 ILE A 71 6.952 6.778 -4.375 1.00 5.22 H new ATOM 0 HD12 ILE A 71 7.772 6.946 -5.946 1.00 5.22 H new ATOM 0 HD13 ILE A 71 6.166 6.184 -5.857 1.00 5.22 H new