USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.3 K(o=0.3,f=-2.6!) USER MOD Single : A 1 MET CE :methyl 166:sc= 0 (180deg=-0.341) USER MOD Single : A 1 MET N :NH3+ -157:sc= 1.48 (180deg=1.09) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 11 LYS NZ :NH3+ -154:sc= 1.26 (180deg=0.893) USER MOD Single : A 12 THR OG1 : rot 49:sc= 0.526 USER MOD Single : A 14 THR OG1 : rot -61:sc= 0.0592 USER MOD Single : A 20 SER OG : rot 180:sc=0.000327 USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 1.21 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.73) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.733 K(o=-0.73,f=-2.6) USER MOD Single : A 41 GLN : amide:sc= 0.575 K(o=0.57,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -46:sc= 1.18 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.747 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -165:sc=-0.00209 (180deg=-0.107) USER MOD Single : A 65 SER OG : rot -107:sc= 0.0029 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.483 K(o=0.48,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.055 -7.438 -5.447 1.00 9.67 N ATOM 2 CA MET A 1 11.162 -7.371 -3.915 1.00 10.38 C ATOM 3 C MET A 1 9.802 -7.801 -3.390 1.00 9.62 C ATOM 4 O MET A 1 8.747 -7.449 -3.877 1.00 9.62 O ATOM 5 CB MET A 1 11.525 -5.931 -3.452 1.00 13.77 C ATOM 6 CG MET A 1 11.658 -5.609 -1.974 1.00 16.29 C ATOM 7 SD MET A 1 12.122 -3.801 -1.711 1.00 17.17 S ATOM 8 CE MET A 1 10.523 -3.018 -2.112 1.00 16.11 C ATOM 0 H1 MET A 1 12.005 -7.541 -5.857 1.00 9.67 H new ATOM 0 H2 MET A 1 10.470 -8.254 -5.719 1.00 9.67 H new ATOM 0 H3 MET A 1 10.617 -6.564 -5.803 1.00 9.67 H new ATOM 0 HA MET A 1 11.952 -8.018 -3.533 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.472 -5.670 -3.925 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.769 -5.261 -3.861 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.718 -5.824 -1.466 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.416 -6.251 -1.526 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.531 -1.981 -1.776 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.363 -3.049 -3.190 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.719 -3.556 -1.610 1.00 16.11 H new ATOM 20 N GLN A 2 9.842 -8.677 -2.353 1.00 9.27 N ATOM 21 CA GLN A 2 8.629 -9.055 -1.585 1.00 9.07 C ATOM 22 C GLN A 2 8.433 -8.262 -0.287 1.00 8.72 C ATOM 23 O GLN A 2 9.331 -8.220 0.529 1.00 8.22 O ATOM 24 CB GLN A 2 8.750 -10.538 -1.083 1.00 14.46 C ATOM 25 CG GLN A 2 7.391 -11.142 -0.667 1.00 17.01 C ATOM 26 CD GLN A 2 7.613 -12.632 -0.581 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.395 -13.414 -1.516 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.134 -13.069 0.556 1.00 19.49 N ATOM 0 H GLN A 2 10.696 -9.132 -2.032 1.00 9.27 H new ATOM 0 HA GLN A 2 7.809 -8.870 -2.279 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.188 -11.149 -1.872 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.434 -10.575 -0.235 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.061 -10.740 0.291 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.617 -10.903 -1.397 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.310 -12.417 1.320 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.359 -14.058 0.667 1.00 19.49 H new ATOM 37 N ILE A 3 7.184 -7.777 -0.054 1.00 5.87 N ATOM 38 CA ILE A 3 6.716 -7.042 1.121 1.00 5.07 C ATOM 39 C ILE A 3 5.394 -7.691 1.406 1.00 4.01 C ATOM 40 O ILE A 3 4.898 -8.489 0.646 1.00 4.61 O ATOM 41 CB ILE A 3 6.611 -5.538 0.956 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.747 -5.017 -0.244 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.031 -4.925 0.965 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.296 -5.063 -0.030 1.00 10.83 C ATOM 0 H ILE A 3 6.437 -7.905 -0.737 1.00 5.87 H new ATOM 0 HA ILE A 3 7.432 -7.106 1.941 1.00 5.07 H new ATOM 0 HB ILE A 3 6.036 -5.191 1.814 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.035 -3.988 -0.459 1.00 4.72 H new ATOM 0 HG13 ILE A 3 5.987 -5.607 -1.128 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.961 -3.844 0.847 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.521 -5.156 1.911 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.613 -5.343 0.144 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.785 -4.683 -0.915 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.988 -6.092 0.152 1.00 10.83 H new ATOM 0 HD13 ILE A 3 4.036 -4.448 0.832 1.00 10.83 H new ATOM 56 N PHE A 4 4.747 -7.369 2.537 1.00 4.55 N ATOM 57 CA PHE A 4 3.508 -7.984 2.912 1.00 4.68 C ATOM 58 C PHE A 4 2.474 -6.846 3.090 1.00 5.30 C ATOM 59 O PHE A 4 2.771 -5.868 3.749 1.00 5.58 O ATOM 60 CB PHE A 4 3.715 -8.880 4.206 1.00 4.83 C ATOM 61 CG PHE A 4 4.658 -10.065 4.033 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.321 -11.039 3.083 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.858 -10.175 4.763 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.125 -12.146 2.867 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.674 -11.268 4.512 1.00 10.61 C ATOM 66 CZ PHE A 4 6.344 -12.264 3.567 1.00 8.90 C ATOM 0 H PHE A 4 5.085 -6.673 3.202 1.00 4.55 H new ATOM 0 HA PHE A 4 3.135 -8.668 2.150 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.095 -8.248 5.008 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.743 -9.254 4.528 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.415 -10.924 2.507 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.134 -9.431 5.496 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.821 -12.912 2.169 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.599 -11.361 5.061 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.009 -13.096 3.385 1.00 8.90 H new ATOM 76 N VAL A 5 1.229 -7.004 2.556 1.00 4.44 N ATOM 77 CA VAL A 5 0.136 -5.984 2.740 1.00 3.87 C ATOM 78 C VAL A 5 -0.957 -6.667 3.581 1.00 4.93 C ATOM 79 O VAL A 5 -1.220 -7.844 3.383 1.00 6.84 O ATOM 80 CB VAL A 5 -0.429 -5.359 1.464 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.559 -4.312 1.799 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.771 -4.745 0.702 1.00 9.13 C ATOM 0 H VAL A 5 0.952 -7.814 2.001 1.00 4.44 H new ATOM 0 HA VAL A 5 0.567 -5.117 3.240 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.916 -6.102 0.832 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.943 -3.883 0.874 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.369 -4.809 2.332 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.147 -3.519 2.423 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.419 -4.284 -0.221 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.250 -3.990 1.325 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.491 -5.529 0.465 1.00 9.13 H new ATOM 92 N LYS A 6 -1.528 -5.970 4.617 1.00 6.04 N ATOM 93 CA LYS A 6 -2.559 -6.561 5.435 1.00 6.12 C ATOM 94 C LYS A 6 -3.555 -5.593 6.026 1.00 6.57 C ATOM 95 O LYS A 6 -3.203 -4.412 6.231 1.00 5.76 O ATOM 96 CB LYS A 6 -1.964 -7.416 6.596 1.00 7.45 C ATOM 97 CG LYS A 6 -1.285 -6.773 7.768 1.00 11.12 C ATOM 98 CD LYS A 6 -0.560 -7.667 8.777 1.00 14.54 C ATOM 99 CE LYS A 6 -1.384 -8.585 9.687 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.457 -9.492 10.400 1.00 20.55 N ATOM 0 H LYS A 6 -1.274 -5.016 4.875 1.00 6.04 H new ATOM 0 HA LYS A 6 -3.102 -7.187 4.727 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.778 -8.022 6.994 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.245 -8.102 6.149 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.560 -6.058 7.379 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.036 -6.201 8.313 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.135 -8.295 8.220 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.039 -7.020 9.418 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.960 -7.995 10.400 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.099 -9.160 9.098 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.000 -10.123 11.023 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.073 -10.060 9.709 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.208 -8.931 10.970 1.00 20.55 H new ATOM 114 N THR A 7 -4.820 -6.099 6.260 1.00 7.41 N ATOM 115 CA THR A 7 -5.894 -5.280 6.698 1.00 7.48 C ATOM 116 C THR A 7 -6.385 -5.636 8.125 1.00 8.75 C ATOM 117 O THR A 7 -5.826 -6.512 8.764 1.00 8.58 O ATOM 118 CB THR A 7 -7.206 -5.527 5.855 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.473 -6.879 5.538 1.00 11.78 O ATOM 120 CG2 THR A 7 -7.112 -4.828 4.456 1.00 9.17 C ATOM 0 H THR A 7 -5.068 -7.081 6.137 1.00 7.41 H new ATOM 0 HA THR A 7 -5.485 -4.273 6.616 1.00 7.48 H new ATOM 0 HB THR A 7 -7.988 -5.133 6.504 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.302 -6.936 5.018 1.00 11.78 H new ATOM 0 HG21 THR A 7 -8.028 -5.013 3.895 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.981 -3.755 4.594 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.261 -5.229 3.905 1.00 9.17 H new ATOM 128 N LEU A 8 -7.398 -4.939 8.671 1.00 9.84 N ATOM 129 CA LEU A 8 -7.802 -4.824 10.072 1.00 14.15 C ATOM 130 C LEU A 8 -8.019 -6.124 10.816 1.00 17.37 C ATOM 131 O LEU A 8 -7.630 -6.315 11.972 1.00 17.01 O ATOM 132 CB LEU A 8 -9.105 -4.003 10.247 1.00 16.63 C ATOM 133 CG LEU A 8 -9.589 -3.621 11.664 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.599 -2.744 12.428 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.887 -2.891 11.489 1.00 18.59 C ATOM 0 H LEU A 8 -8.014 -4.387 8.074 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.935 -4.324 10.505 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.984 -3.077 9.685 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.909 -4.563 9.769 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.696 -4.528 12.259 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.002 -2.514 13.414 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.653 -3.274 12.538 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.434 -1.817 11.878 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.274 -2.597 12.465 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.725 -2.001 10.880 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.607 -3.543 10.994 1.00 18.59 H new ATOM 147 N THR A 9 -8.500 -7.141 10.163 1.00 18.33 N ATOM 148 CA THR A 9 -8.699 -8.531 10.619 1.00 19.24 C ATOM 149 C THR A 9 -7.466 -9.414 10.662 1.00 19.48 C ATOM 150 O THR A 9 -7.459 -10.609 11.059 1.00 23.14 O ATOM 151 CB THR A 9 -9.616 -9.235 9.604 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.037 -9.190 8.355 1.00 20.24 O ATOM 153 CG2 THR A 9 -10.875 -8.387 9.510 1.00 19.70 C ATOM 0 H THR A 9 -8.801 -7.030 9.195 1.00 18.33 H new ATOM 0 HA THR A 9 -9.079 -8.425 11.635 1.00 19.24 H new ATOM 0 HB THR A 9 -9.801 -10.265 9.908 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.620 -9.640 7.708 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.567 -8.840 8.800 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.348 -8.328 10.490 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.614 -7.384 9.172 1.00 19.70 H new ATOM 161 N GLY A 10 -6.335 -8.875 10.201 1.00 19.43 N ATOM 162 CA GLY A 10 -5.026 -9.513 9.968 1.00 18.74 C ATOM 163 C GLY A 10 -4.866 -10.104 8.636 1.00 17.62 C ATOM 164 O GLY A 10 -3.877 -10.824 8.357 1.00 19.74 O ATOM 0 H GLY A 10 -6.304 -7.885 9.956 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.242 -8.771 10.119 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -4.877 -10.291 10.717 1.00 18.74 H new ATOM 168 N LYS A 11 -5.848 -9.940 7.696 1.00 13.56 N ATOM 169 CA LYS A 11 -5.778 -10.660 6.437 1.00 11.91 C ATOM 170 C LYS A 11 -4.649 -10.184 5.567 1.00 10.18 C ATOM 171 O LYS A 11 -4.575 -9.058 5.058 1.00 9.10 O ATOM 172 CB LYS A 11 -7.099 -10.589 5.667 1.00 13.43 C ATOM 173 CG LYS A 11 -7.334 -11.746 4.698 1.00 16.69 C ATOM 174 CD LYS A 11 -8.567 -11.459 3.906 1.00 17.92 C ATOM 175 CE LYS A 11 -8.429 -10.405 2.848 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.572 -10.502 1.858 1.00 21.93 N ATOM 0 H LYS A 11 -6.660 -9.332 7.803 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.584 -11.701 6.697 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.920 -10.560 6.383 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.129 -9.653 5.109 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.477 -11.864 4.035 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.445 -12.682 5.246 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.895 -12.384 3.431 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -9.356 -11.156 4.594 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.420 -9.417 3.308 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.478 -10.523 2.329 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.271 -10.115 0.941 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.845 -11.498 1.740 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -10.385 -9.960 2.213 1.00 21.93 H new ATOM 190 N THR A 12 -3.635 -11.054 5.467 1.00 9.63 N ATOM 191 CA THR A 12 -2.343 -10.782 4.880 1.00 9.85 C ATOM 192 C THR A 12 -2.341 -11.383 3.458 1.00 11.66 C ATOM 193 O THR A 12 -2.475 -12.607 3.216 1.00 12.33 O ATOM 194 CB THR A 12 -1.226 -11.312 5.668 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.257 -10.852 7.027 1.00 10.91 O ATOM 196 CG2 THR A 12 0.134 -10.936 5.151 1.00 9.63 C ATOM 0 H THR A 12 -3.711 -12.010 5.814 1.00 9.63 H new ATOM 0 HA THR A 12 -2.192 -9.703 4.854 1.00 9.85 H new ATOM 0 HB THR A 12 -1.367 -12.390 5.592 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.158 -10.975 7.393 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.900 -11.370 5.793 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.255 -11.314 4.136 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.235 -9.851 5.148 1.00 9.63 H new ATOM 204 N ILE A 13 -2.052 -10.478 2.479 1.00 10.42 N ATOM 205 CA ILE A 13 -1.793 -10.747 1.121 1.00 11.84 C ATOM 206 C ILE A 13 -0.278 -10.493 0.892 1.00 10.55 C ATOM 207 O ILE A 13 0.270 -9.611 1.563 1.00 11.92 O ATOM 208 CB ILE A 13 -2.603 -9.961 0.078 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.678 -8.467 0.471 1.00 14.87 C ATOM 210 CG2 ILE A 13 -4.002 -10.566 0.041 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.444 -7.610 -0.564 1.00 16.46 C ATOM 0 H ILE A 13 -2.002 -9.480 2.683 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.108 -11.778 0.957 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.130 -10.023 -0.902 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.165 -8.376 1.442 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.667 -8.075 0.583 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.610 -10.033 -0.690 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.936 -11.617 -0.239 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.462 -10.481 1.026 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.463 -6.571 -0.234 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.944 -7.674 -1.531 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.465 -7.980 -0.658 1.00 16.46 H new ATOM 223 N THR A 14 0.383 -11.297 0.078 1.00 9.39 N ATOM 224 CA THR A 14 1.805 -11.066 -0.305 1.00 9.63 C ATOM 225 C THR A 14 1.850 -10.181 -1.568 1.00 11.20 C ATOM 226 O THR A 14 1.105 -10.419 -2.559 1.00 11.63 O ATOM 227 CB THR A 14 2.636 -12.351 -0.509 1.00 10.38 C ATOM 228 OG1 THR A 14 2.660 -13.198 0.610 1.00 16.30 O ATOM 229 CG2 THR A 14 4.053 -11.962 -0.875 1.00 11.66 C ATOM 0 H THR A 14 -0.029 -12.129 -0.345 1.00 9.39 H new ATOM 0 HA THR A 14 2.275 -10.562 0.540 1.00 9.63 H new ATOM 0 HB THR A 14 2.155 -12.915 -1.308 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.060 -12.725 1.370 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.651 -12.862 -1.022 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.044 -11.378 -1.795 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.486 -11.366 -0.072 1.00 11.66 H new ATOM 237 N LEU A 15 2.759 -9.223 -1.705 1.00 8.29 N ATOM 238 CA LEU A 15 2.928 -8.410 -2.911 1.00 9.03 C ATOM 239 C LEU A 15 4.337 -8.411 -3.437 1.00 8.59 C ATOM 240 O LEU A 15 5.213 -8.088 -2.642 1.00 7.79 O ATOM 241 CB LEU A 15 2.400 -6.969 -2.722 1.00 11.08 C ATOM 242 CG LEU A 15 1.278 -6.493 -3.647 1.00 15.79 C ATOM 243 CD1 LEU A 15 -0.061 -7.117 -3.317 1.00 15.88 C ATOM 244 CD2 LEU A 15 1.288 -4.967 -3.514 1.00 15.27 C ATOM 0 H LEU A 15 3.417 -8.981 -0.964 1.00 8.29 H new ATOM 0 HA LEU A 15 2.314 -8.891 -3.673 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.050 -6.873 -1.694 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.242 -6.286 -2.838 1.00 11.08 H new ATOM 0 HG LEU A 15 1.442 -6.803 -4.679 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.817 -6.741 -4.006 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.010 -8.201 -3.411 1.00 15.88 H new ATOM 0 HD13 LEU A 15 -0.341 -6.859 -2.296 1.00 15.88 H new ATOM 0 HD21 LEU A 15 0.510 -4.541 -4.148 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.102 -4.691 -2.476 1.00 15.27 H new ATOM 0 HD23 LEU A 15 2.259 -4.581 -3.823 1.00 15.27 H new ATOM 256 N GLU A 16 4.574 -8.742 -4.741 1.00 11.04 N ATOM 257 CA GLU A 16 5.805 -8.509 -5.457 1.00 11.50 C ATOM 258 C GLU A 16 5.735 -7.085 -5.968 1.00 10.13 C ATOM 259 O GLU A 16 4.802 -6.641 -6.637 1.00 9.83 O ATOM 260 CB GLU A 16 5.939 -9.499 -6.637 1.00 17.22 C ATOM 261 CG GLU A 16 7.118 -9.187 -7.591 1.00 23.33 C ATOM 262 CD GLU A 16 8.551 -9.294 -7.038 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.859 -10.202 -6.277 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.370 -8.453 -7.401 1.00 28.86 O ATOM 0 H GLU A 16 3.866 -9.195 -5.319 1.00 11.04 H new ATOM 0 HA GLU A 16 6.672 -8.657 -4.812 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.063 -10.507 -6.240 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.011 -9.494 -7.209 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.040 -9.858 -8.446 1.00 23.33 H new ATOM 0 HG3 GLU A 16 6.982 -8.173 -7.968 1.00 23.33 H new ATOM 271 N VAL A 17 6.770 -6.318 -5.616 1.00 8.99 N ATOM 272 CA VAL A 17 6.904 -4.859 -5.937 1.00 8.85 C ATOM 273 C VAL A 17 8.363 -4.622 -6.229 1.00 8.04 C ATOM 274 O VAL A 17 9.212 -5.490 -6.002 1.00 8.99 O ATOM 275 CB VAL A 17 6.532 -3.974 -4.737 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.986 -3.991 -4.428 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.270 -4.383 -3.437 1.00 10.54 C ATOM 0 H VAL A 17 7.564 -6.682 -5.089 1.00 8.99 H new ATOM 0 HA VAL A 17 6.243 -4.611 -6.768 1.00 8.85 H new ATOM 0 HB VAL A 17 6.841 -2.972 -5.036 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.779 -3.349 -3.571 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.437 -3.625 -5.296 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.671 -5.010 -4.203 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.968 -3.723 -2.624 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.016 -5.412 -3.183 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.346 -4.302 -3.589 1.00 10.54 H new ATOM 287 N GLU A 18 8.648 -3.397 -6.731 1.00 7.29 N ATOM 288 CA GLU A 18 9.932 -2.879 -6.922 1.00 7.08 C ATOM 289 C GLU A 18 10.097 -1.729 -5.897 1.00 6.45 C ATOM 290 O GLU A 18 9.110 -1.235 -5.460 1.00 5.28 O ATOM 291 CB GLU A 18 10.105 -2.545 -8.414 1.00 10.28 C ATOM 292 CG GLU A 18 10.271 -3.872 -9.282 1.00 12.65 C ATOM 293 CD GLU A 18 10.176 -3.579 -10.739 1.00 14.15 C ATOM 294 OE1 GLU A 18 9.074 -3.049 -11.118 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.133 -3.736 -11.588 1.00 14.33 O ATOM 0 H GLU A 18 7.916 -2.745 -7.014 1.00 7.29 H new ATOM 0 HA GLU A 18 10.752 -3.569 -6.721 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.241 -1.981 -8.767 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.978 -1.907 -8.548 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.234 -4.334 -9.064 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.501 -4.591 -9.002 1.00 12.65 H new ATOM 302 N PRO A 19 11.247 -1.342 -5.433 1.00 7.24 N ATOM 303 CA PRO A 19 11.390 -0.282 -4.418 1.00 7.07 C ATOM 304 C PRO A 19 11.267 1.016 -5.074 1.00 6.65 C ATOM 305 O PRO A 19 11.214 2.031 -4.364 1.00 6.37 O ATOM 306 CB PRO A 19 12.782 -0.496 -3.838 1.00 7.61 C ATOM 307 CG PRO A 19 13.523 -1.146 -5.030 1.00 8.16 C ATOM 308 CD PRO A 19 12.524 -2.155 -5.628 1.00 7.49 C ATOM 0 HA PRO A 19 10.632 -0.313 -3.635 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.245 0.441 -3.530 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.765 -1.146 -2.963 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.815 -0.398 -5.767 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.436 -1.643 -4.702 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.726 -2.383 -6.675 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.508 -3.104 -5.093 1.00 7.49 H new ATOM 316 N SER A 20 11.266 1.127 -6.427 1.00 6.80 N ATOM 317 CA SER A 20 11.074 2.332 -7.169 1.00 6.28 C ATOM 318 C SER A 20 9.688 2.607 -7.625 1.00 8.45 C ATOM 319 O SER A 20 9.399 3.601 -8.254 1.00 7.26 O ATOM 320 CB SER A 20 11.923 2.386 -8.443 1.00 8.57 C ATOM 321 OG SER A 20 11.630 1.236 -9.221 1.00 11.13 O ATOM 0 H SER A 20 11.409 0.318 -7.031 1.00 6.80 H new ATOM 0 HA SER A 20 11.367 3.077 -6.429 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.704 3.292 -9.007 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.983 2.415 -8.192 1.00 8.57 H new ATOM 0 HG SER A 20 12.163 1.253 -10.043 1.00 11.13 H new ATOM 327 N ASP A 21 8.816 1.664 -7.326 1.00 7.50 N ATOM 328 CA ASP A 21 7.412 1.824 -7.516 1.00 7.70 C ATOM 329 C ASP A 21 6.847 2.916 -6.600 1.00 7.08 C ATOM 330 O ASP A 21 7.248 3.013 -5.421 1.00 8.11 O ATOM 331 CB ASP A 21 6.641 0.502 -7.259 1.00 11.00 C ATOM 332 CG ASP A 21 6.852 -0.519 -8.378 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.886 -0.151 -9.541 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.985 -1.699 -8.034 1.00 14.36 O ATOM 0 H ASP A 21 9.080 0.758 -6.940 1.00 7.50 H new ATOM 0 HA ASP A 21 7.273 2.117 -8.557 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.967 0.072 -6.312 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.577 0.717 -7.162 1.00 11.00 H new ATOM 339 N THR A 22 5.825 3.668 -7.136 1.00 5.37 N ATOM 340 CA THR A 22 5.059 4.629 -6.282 1.00 6.01 C ATOM 341 C THR A 22 3.984 3.840 -5.527 1.00 8.01 C ATOM 342 O THR A 22 3.601 2.736 -5.927 1.00 8.11 O ATOM 343 CB THR A 22 4.466 5.755 -7.097 1.00 8.92 C ATOM 344 OG1 THR A 22 3.627 5.317 -8.189 1.00 10.22 O ATOM 345 CG2 THR A 22 5.582 6.497 -7.740 1.00 9.65 C ATOM 0 H THR A 22 5.528 3.628 -8.111 1.00 5.37 H new ATOM 0 HA THR A 22 5.732 5.105 -5.569 1.00 6.01 H new ATOM 0 HB THR A 22 3.864 6.342 -6.403 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.279 6.098 -8.668 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.179 7.316 -8.335 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.243 6.898 -6.971 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.144 5.822 -8.386 1.00 9.65 H new ATOM 353 N ILE A 23 3.441 4.450 -4.450 1.00 8.32 N ATOM 354 CA ILE A 23 2.208 4.092 -3.745 1.00 9.92 C ATOM 355 C ILE A 23 1.024 3.902 -4.567 1.00 10.01 C ATOM 356 O ILE A 23 0.212 2.967 -4.456 1.00 8.71 O ATOM 357 CB ILE A 23 2.134 4.995 -2.587 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.668 4.278 -1.306 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.616 5.411 -2.279 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.171 4.122 -1.322 1.00 12.30 C ATOM 0 H ILE A 23 3.891 5.262 -4.027 1.00 8.32 H new ATOM 0 HA ILE A 23 2.240 3.066 -3.380 1.00 9.92 H new ATOM 0 HB ILE A 23 2.732 5.873 -2.829 1.00 10.78 H new ATOM 0 HG12 ILE A 23 2.373 4.847 -0.424 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.204 3.295 -1.222 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.589 6.079 -1.418 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.195 5.920 -3.146 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.030 4.517 -2.063 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.494 3.618 -0.411 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.466 3.530 -2.188 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.638 5.105 -1.378 1.00 12.30 H new ATOM 372 N GLU A 24 0.878 4.732 -5.639 1.00 9.54 N ATOM 373 CA GLU A 24 -0.078 4.555 -6.769 1.00 11.81 C ATOM 374 C GLU A 24 0.014 3.210 -7.421 1.00 11.14 C ATOM 375 O GLU A 24 -0.969 2.429 -7.453 1.00 10.62 O ATOM 376 CB GLU A 24 0.061 5.673 -7.865 1.00 19.24 C ATOM 377 CG GLU A 24 -1.039 5.667 -8.925 1.00 27.76 C ATOM 378 CD GLU A 24 -0.949 6.794 -9.960 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.189 6.953 -10.516 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.976 7.491 -10.213 1.00 36.51 O ATOM 0 H GLU A 24 1.445 5.574 -5.743 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.060 4.640 -6.304 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.068 6.646 -7.374 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.025 5.559 -8.361 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.013 4.711 -9.448 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.005 5.730 -8.424 1.00 27.76 H new ATOM 387 N ASN A 25 1.241 2.779 -7.809 1.00 9.43 N ATOM 388 CA ASN A 25 1.599 1.429 -8.289 1.00 10.96 C ATOM 389 C ASN A 25 1.338 0.353 -7.254 1.00 9.68 C ATOM 390 O ASN A 25 0.876 -0.735 -7.595 1.00 9.33 O ATOM 391 CB ASN A 25 3.017 1.220 -8.778 1.00 16.78 C ATOM 392 CG ASN A 25 3.507 2.219 -9.840 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.632 2.748 -9.773 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.726 2.498 -10.879 1.00 24.70 N ATOM 0 H ASN A 25 2.048 3.402 -7.793 1.00 9.43 H new ATOM 0 HA ASN A 25 0.941 1.345 -9.154 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.689 1.269 -7.921 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.096 0.213 -9.188 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.052 3.136 -11.605 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.801 2.074 -10.950 1.00 24.70 H new ATOM 401 N VAL A 26 1.636 0.504 -5.969 1.00 6.52 N ATOM 402 CA VAL A 26 1.331 -0.392 -4.910 1.00 5.53 C ATOM 403 C VAL A 26 -0.232 -0.608 -4.861 1.00 4.42 C ATOM 404 O VAL A 26 -0.708 -1.737 -4.823 1.00 3.40 O ATOM 405 CB VAL A 26 1.788 -0.032 -3.539 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.428 -1.158 -2.581 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.322 0.073 -3.647 1.00 8.12 C ATOM 0 H VAL A 26 2.137 1.328 -5.637 1.00 6.52 H new ATOM 0 HA VAL A 26 1.901 -1.287 -5.161 1.00 5.53 H new ATOM 0 HB VAL A 26 1.333 0.889 -3.175 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.760 -0.900 -1.575 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.348 -1.304 -2.580 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.918 -2.078 -2.900 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.738 0.336 -2.675 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.730 -0.885 -3.969 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.584 0.842 -4.374 1.00 8.12 H new ATOM 417 N LYS A 27 -1.075 0.445 -5.009 1.00 2.64 N ATOM 418 CA LYS A 27 -2.508 0.398 -5.000 1.00 4.14 C ATOM 419 C LYS A 27 -3.014 -0.312 -6.288 1.00 5.58 C ATOM 420 O LYS A 27 -3.966 -1.048 -6.234 1.00 4.11 O ATOM 421 CB LYS A 27 -3.217 1.746 -4.740 1.00 3.97 C ATOM 422 CG LYS A 27 -2.871 2.454 -3.434 1.00 7.45 C ATOM 423 CD LYS A 27 -3.526 3.852 -3.250 1.00 9.02 C ATOM 424 CE LYS A 27 -2.942 4.883 -4.273 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.389 6.302 -4.020 1.00 15.47 N ATOM 0 H LYS A 27 -0.723 1.393 -5.144 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.790 -0.190 -4.127 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.984 2.419 -5.565 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.293 1.575 -4.761 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.171 1.817 -2.602 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.788 2.566 -3.375 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.605 3.773 -3.384 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.356 4.207 -2.233 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.853 4.842 -4.237 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.239 4.591 -5.280 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.888 6.944 -4.667 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.414 6.377 -4.182 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.174 6.564 -3.037 1.00 15.47 H new ATOM 439 N ALA A 28 -2.359 -0.191 -7.461 1.00 6.61 N ATOM 440 CA ALA A 28 -2.785 -0.855 -8.643 1.00 7.74 C ATOM 441 C ALA A 28 -2.657 -2.437 -8.542 1.00 9.17 C ATOM 442 O ALA A 28 -3.534 -3.230 -8.901 1.00 11.45 O ATOM 443 CB ALA A 28 -1.926 -0.389 -9.816 1.00 7.68 C ATOM 0 H ALA A 28 -1.522 0.378 -7.583 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.837 -0.607 -8.785 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.248 -0.895 -10.726 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.035 0.688 -9.942 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.881 -0.627 -9.619 1.00 7.68 H new ATOM 449 N LYS A 29 -1.490 -2.791 -7.935 1.00 8.96 N ATOM 450 CA LYS A 29 -1.123 -4.159 -7.586 1.00 7.90 C ATOM 451 C LYS A 29 -2.006 -4.841 -6.560 1.00 6.92 C ATOM 452 O LYS A 29 -2.360 -5.999 -6.713 1.00 6.87 O ATOM 453 CB LYS A 29 0.308 -4.331 -7.072 1.00 10.28 C ATOM 454 CG LYS A 29 1.341 -3.983 -8.194 1.00 14.94 C ATOM 455 CD LYS A 29 2.653 -3.897 -7.517 1.00 19.69 C ATOM 456 CE LYS A 29 3.821 -3.129 -8.221 1.00 22.63 C ATOM 457 NZ LYS A 29 4.114 -3.840 -9.490 1.00 24.98 N ATOM 0 H LYS A 29 -0.777 -2.108 -7.677 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.250 -4.632 -8.560 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.470 -3.686 -6.208 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.459 -5.357 -6.737 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.350 -4.749 -8.969 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.089 -3.041 -8.680 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.492 -3.431 -6.545 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.994 -4.915 -7.330 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.538 -2.095 -8.416 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.704 -3.103 -7.582 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.889 -3.357 -9.988 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.394 -4.820 -9.282 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.265 -3.843 -10.090 1.00 24.98 H new ATOM 471 N ILE A 30 -2.389 -4.074 -5.500 1.00 4.57 N ATOM 472 CA ILE A 30 -3.494 -4.449 -4.633 1.00 5.58 C ATOM 473 C ILE A 30 -4.822 -4.581 -5.400 1.00 7.26 C ATOM 474 O ILE A 30 -5.543 -5.550 -5.200 1.00 9.46 O ATOM 475 CB ILE A 30 -3.683 -3.426 -3.408 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.419 -3.373 -2.451 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.935 -3.621 -2.628 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.222 -2.120 -1.600 1.00 2.00 C ATOM 0 H ILE A 30 -1.936 -3.197 -5.243 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.228 -5.427 -4.231 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.780 -2.454 -3.892 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.472 -4.229 -1.779 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.528 -3.504 -3.065 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.979 -2.888 -1.822 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.796 -3.492 -3.284 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.948 -4.626 -2.206 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.319 -2.227 -0.998 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.124 -1.250 -2.250 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.082 -1.987 -0.944 1.00 2.00 H new ATOM 490 N GLN A 31 -5.214 -3.641 -6.257 1.00 7.06 N ATOM 491 CA GLN A 31 -6.472 -3.786 -7.075 1.00 8.67 C ATOM 492 C GLN A 31 -6.484 -5.064 -7.884 1.00 10.90 C ATOM 493 O GLN A 31 -7.484 -5.793 -7.903 1.00 9.63 O ATOM 494 CB GLN A 31 -6.677 -2.590 -8.016 1.00 9.12 C ATOM 495 CG GLN A 31 -8.014 -2.783 -8.804 1.00 10.76 C ATOM 496 CD GLN A 31 -8.398 -1.634 -9.726 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.485 -1.108 -9.847 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.390 -1.174 -10.564 1.00 14.76 N ATOM 0 H GLN A 31 -4.704 -2.773 -6.420 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.293 -3.822 -6.359 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.708 -1.663 -7.444 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.840 -2.509 -8.709 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.938 -3.694 -9.398 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.820 -2.936 -8.087 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.455 -1.579 -10.508 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.584 -0.431 -11.236 1.00 14.76 H new ATOM 507 N ASP A 32 -5.345 -5.441 -8.562 1.00 10.93 N ATOM 508 CA ASP A 32 -5.205 -6.772 -9.177 1.00 14.01 C ATOM 509 C ASP A 32 -5.290 -7.894 -8.136 1.00 14.04 C ATOM 510 O ASP A 32 -5.953 -8.911 -8.326 1.00 13.39 O ATOM 511 CB ASP A 32 -3.794 -6.828 -9.970 1.00 18.01 C ATOM 512 CG ASP A 32 -3.622 -7.990 -10.926 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.603 -8.667 -11.207 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.481 -8.181 -11.443 1.00 26.29 O ATOM 0 H ASP A 32 -4.533 -4.836 -8.684 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.030 -6.929 -9.872 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.676 -5.900 -10.530 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.988 -6.862 -9.237 1.00 18.01 H new ATOM 519 N LYS A 33 -4.629 -7.730 -6.896 1.00 14.22 N ATOM 520 CA LYS A 33 -4.603 -8.725 -5.837 1.00 14.00 C ATOM 521 C LYS A 33 -5.934 -9.084 -5.249 1.00 12.37 C ATOM 522 O LYS A 33 -6.359 -10.217 -5.093 1.00 12.17 O ATOM 523 CB LYS A 33 -3.530 -8.422 -4.761 1.00 18.62 C ATOM 524 CG LYS A 33 -3.305 -9.518 -3.702 1.00 24.00 C ATOM 525 CD LYS A 33 -2.952 -10.970 -4.279 1.00 27.61 C ATOM 526 CE LYS A 33 -1.647 -10.996 -5.094 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.994 -12.296 -5.256 1.00 30.06 N ATOM 0 H LYS A 33 -4.115 -6.882 -6.658 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.299 -9.639 -6.348 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.582 -8.232 -5.265 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.808 -7.501 -4.248 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.497 -9.202 -3.043 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.203 -9.598 -3.090 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.870 -11.673 -3.450 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.773 -11.314 -4.908 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.858 -10.596 -6.086 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.938 -10.317 -4.621 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.129 -12.182 -5.822 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.749 -12.680 -4.321 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.640 -12.951 -5.741 1.00 30.06 H new ATOM 541 N GLU A 34 -6.676 -8.010 -4.810 1.00 10.11 N ATOM 542 CA GLU A 34 -7.899 -8.166 -4.005 1.00 10.07 C ATOM 543 C GLU A 34 -9.143 -7.458 -4.571 1.00 9.32 C ATOM 544 O GLU A 34 -10.194 -7.446 -3.952 1.00 11.61 O ATOM 545 CB GLU A 34 -7.740 -7.493 -2.636 1.00 14.77 C ATOM 546 CG GLU A 34 -6.823 -8.246 -1.625 1.00 18.75 C ATOM 547 CD GLU A 34 -7.534 -9.479 -1.107 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.575 -9.237 -0.433 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.122 -10.643 -1.356 1.00 25.19 O ATOM 0 H GLU A 34 -6.433 -7.040 -5.010 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.035 -9.247 -3.981 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.340 -6.490 -2.787 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.728 -7.378 -2.189 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.889 -8.530 -2.109 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.564 -7.588 -0.795 1.00 18.75 H new ATOM 556 N GLY A 35 -9.154 -6.915 -5.815 1.00 7.22 N ATOM 557 CA GLY A 35 -10.393 -6.360 -6.514 1.00 6.29 C ATOM 558 C GLY A 35 -10.704 -4.946 -6.126 1.00 6.93 C ATOM 559 O GLY A 35 -11.687 -4.401 -6.613 1.00 7.41 O ATOM 0 H GLY A 35 -8.311 -6.839 -6.384 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.247 -6.411 -7.593 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.249 -6.992 -6.278 1.00 6.29 H new ATOM 563 N ILE A 36 -9.937 -4.292 -5.272 1.00 5.86 N ATOM 564 CA ILE A 36 -10.350 -3.055 -4.629 1.00 6.07 C ATOM 565 C ILE A 36 -9.821 -1.856 -5.486 1.00 6.36 C ATOM 566 O ILE A 36 -8.582 -1.875 -5.653 1.00 6.18 O ATOM 567 CB ILE A 36 -9.730 -2.972 -3.256 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.130 -4.128 -2.286 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.211 -1.628 -2.574 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.163 -4.219 -1.125 1.00 9.49 C ATOM 0 H ILE A 36 -9.004 -4.605 -5.003 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.436 -3.023 -4.545 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.653 -3.032 -3.414 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.140 -3.960 -1.911 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.144 -5.074 -2.828 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.774 -1.548 -1.579 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.893 -0.779 -3.179 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.298 -1.630 -2.493 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.464 -5.032 -0.464 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.159 -4.411 -1.502 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.170 -3.280 -0.572 1.00 9.49 H new ATOM 582 N PRO A 37 -10.682 -0.958 -5.977 1.00 8.65 N ATOM 583 CA PRO A 37 -10.281 0.271 -6.738 1.00 9.18 C ATOM 584 C PRO A 37 -9.259 1.098 -5.967 1.00 9.85 C ATOM 585 O PRO A 37 -9.525 1.275 -4.767 1.00 8.51 O ATOM 586 CB PRO A 37 -11.584 0.939 -6.953 1.00 11.42 C ATOM 587 CG PRO A 37 -12.600 -0.239 -7.099 1.00 9.27 C ATOM 588 CD PRO A 37 -12.139 -1.117 -5.987 1.00 8.33 C ATOM 0 HA PRO A 37 -9.764 0.082 -7.679 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.843 1.586 -6.115 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.568 1.564 -7.846 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.633 0.084 -6.974 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.534 -0.728 -8.071 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.578 -0.817 -5.036 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.424 -2.155 -6.156 1.00 8.33 H new ATOM 596 N PRO A 38 -8.220 1.690 -6.507 1.00 8.71 N ATOM 597 CA PRO A 38 -7.332 2.503 -5.752 1.00 9.08 C ATOM 598 C PRO A 38 -7.918 3.685 -4.987 1.00 9.28 C ATOM 599 O PRO A 38 -7.353 3.964 -3.936 1.00 6.50 O ATOM 600 CB PRO A 38 -6.386 3.027 -6.774 1.00 10.31 C ATOM 601 CG PRO A 38 -6.274 1.849 -7.676 1.00 10.81 C ATOM 602 CD PRO A 38 -7.678 1.315 -7.747 1.00 12.00 C ATOM 0 HA PRO A 38 -6.917 1.886 -4.955 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.777 3.906 -7.287 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.426 3.310 -6.342 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.904 2.134 -8.661 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.583 1.105 -7.279 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.234 1.749 -8.578 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.692 0.234 -7.884 1.00 12.00 H new ATOM 610 N ASP A 39 -9.020 4.372 -5.535 1.00 11.20 N ATOM 611 CA ASP A 39 -9.802 5.300 -4.762 1.00 14.96 C ATOM 612 C ASP A 39 -10.431 4.833 -3.486 1.00 13.99 C ATOM 613 O ASP A 39 -10.866 5.653 -2.703 1.00 13.75 O ATOM 614 CB ASP A 39 -10.823 6.054 -5.564 1.00 24.16 C ATOM 615 CG ASP A 39 -10.357 6.874 -6.746 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.859 8.013 -6.549 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.610 6.513 -7.948 1.00 34.22 O ATOM 0 H ASP A 39 -9.334 4.262 -6.499 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.995 5.960 -4.444 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.554 5.333 -5.930 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.349 6.724 -4.884 1.00 24.16 H new ATOM 622 N GLN A 40 -10.498 3.470 -3.225 1.00 11.60 N ATOM 623 CA GLN A 40 -10.998 2.942 -1.950 1.00 10.76 C ATOM 624 C GLN A 40 -9.882 2.541 -0.923 1.00 8.01 C ATOM 625 O GLN A 40 -10.133 1.876 0.099 1.00 8.96 O ATOM 626 CB GLN A 40 -11.869 1.676 -2.154 1.00 11.14 C ATOM 627 CG GLN A 40 -13.237 2.050 -2.802 1.00 14.85 C ATOM 628 CD GLN A 40 -13.890 0.764 -3.334 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.533 -0.360 -2.942 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.871 0.869 -4.274 1.00 18.16 N ATOM 0 H GLN A 40 -10.209 2.752 -3.890 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.572 3.776 -1.546 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.342 0.964 -2.789 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.037 1.185 -1.195 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.886 2.529 -2.069 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.090 2.764 -3.612 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.169 1.789 -4.600 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.308 0.028 -4.652 1.00 18.16 H new ATOM 639 N GLN A 41 -8.603 2.946 -1.190 1.00 6.52 N ATOM 640 CA GLN A 41 -7.508 2.353 -0.525 1.00 3.87 C ATOM 641 C GLN A 41 -6.598 3.419 0.012 1.00 4.79 C ATOM 642 O GLN A 41 -6.277 4.403 -0.619 1.00 6.34 O ATOM 643 CB GLN A 41 -6.576 1.587 -1.492 1.00 4.20 C ATOM 644 CG GLN A 41 -7.132 0.367 -2.168 1.00 3.20 C ATOM 645 CD GLN A 41 -6.057 -0.272 -3.046 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.918 -0.271 -2.621 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.413 -0.846 -4.187 1.00 7.13 N ATOM 0 H GLN A 41 -8.356 3.674 -1.860 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.951 1.704 0.230 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.250 2.282 -2.266 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.687 1.288 -0.937 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.478 -0.348 -1.422 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.996 0.638 -2.774 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.386 -0.814 -4.492 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.714 -1.320 -4.759 1.00 7.13 H new ATOM 656 N ARG A 42 -6.188 3.281 1.298 1.00 5.73 N ATOM 657 CA ARG A 42 -5.199 4.078 1.899 1.00 6.97 C ATOM 658 C ARG A 42 -4.158 3.218 2.589 1.00 7.15 C ATOM 659 O ARG A 42 -4.360 2.077 3.003 1.00 7.33 O ATOM 660 CB ARG A 42 -5.809 5.105 2.844 1.00 13.23 C ATOM 661 CG ARG A 42 -6.623 6.155 2.085 1.00 21.27 C ATOM 662 CD ARG A 42 -6.791 7.365 3.011 1.00 26.14 C ATOM 663 NE ARG A 42 -7.428 8.501 2.250 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.488 9.216 2.584 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.214 8.943 3.669 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.881 10.239 1.863 1.00 36.39 N ATOM 0 H ARG A 42 -6.576 2.578 1.927 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.692 4.637 1.112 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.450 4.600 3.567 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.017 5.596 3.409 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.114 6.444 1.165 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.595 5.753 1.799 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.409 7.097 3.868 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.821 7.674 3.401 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.984 8.749 1.366 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.957 8.161 4.271 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.026 9.516 3.897 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.365 10.499 1.023 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.703 10.775 2.143 1.00 36.39 H new ATOM 680 N LEU A 43 -2.994 3.855 2.776 1.00 4.65 N ATOM 681 CA LEU A 43 -1.843 3.021 3.173 1.00 3.51 C ATOM 682 C LEU A 43 -1.125 3.611 4.421 1.00 5.56 C ATOM 683 O LEU A 43 -0.789 4.856 4.300 1.00 4.19 O ATOM 684 CB LEU A 43 -0.769 2.907 2.044 1.00 3.74 C ATOM 685 CG LEU A 43 -1.267 1.984 0.868 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.278 1.920 -0.271 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.633 0.592 1.374 1.00 6.41 C ATOM 0 H LEU A 43 -2.824 4.855 2.672 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.260 2.037 3.387 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.539 3.900 1.657 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.155 2.504 2.458 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.172 2.441 0.467 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.668 1.272 -1.056 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.120 2.921 -0.673 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.669 1.521 0.092 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.973 -0.021 0.539 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.758 0.129 1.831 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.430 0.672 2.114 1.00 6.41 H new ATOM 699 N ILE A 44 -1.062 2.916 5.567 1.00 4.58 N ATOM 700 CA ILE A 44 -0.470 3.489 6.805 1.00 5.55 C ATOM 701 C ILE A 44 0.792 2.693 7.053 1.00 5.46 C ATOM 702 O ILE A 44 0.749 1.426 7.094 1.00 6.04 O ATOM 703 CB ILE A 44 -1.535 3.414 7.950 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.859 4.035 7.563 1.00 10.31 C ATOM 705 CG2 ILE A 44 -1.041 4.095 9.271 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.913 5.486 7.100 1.00 13.90 C ATOM 0 H ILE A 44 -1.409 1.962 5.671 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.202 4.543 6.736 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.679 2.347 8.122 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.283 3.424 6.766 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.523 3.944 8.422 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.816 4.016 10.033 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.136 3.598 9.620 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.826 5.146 9.080 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.943 5.755 6.866 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.539 6.135 7.892 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.295 5.607 6.210 1.00 13.90 H new ATOM 718 N PHE A 45 2.016 3.315 7.227 1.00 6.75 N ATOM 719 CA PHE A 45 3.225 2.566 7.408 1.00 4.70 C ATOM 720 C PHE A 45 4.054 3.527 8.110 1.00 6.34 C ATOM 721 O PHE A 45 4.052 4.738 7.806 1.00 5.45 O ATOM 722 CB PHE A 45 3.804 2.009 6.112 1.00 5.51 C ATOM 723 CG PHE A 45 5.185 1.582 6.296 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.345 0.465 7.119 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.262 2.310 5.805 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.665 -0.005 7.409 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.600 1.909 6.292 1.00 6.64 C ATOM 728 CZ PHE A 45 7.795 0.760 7.058 1.00 6.84 C ATOM 0 H PHE A 45 2.143 4.327 7.239 1.00 6.75 H new ATOM 0 HA PHE A 45 3.103 1.637 7.966 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.201 1.166 5.773 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.756 2.769 5.332 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.483 -0.038 7.532 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.130 3.123 5.107 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.797 -0.957 7.902 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.452 2.525 6.047 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.785 0.465 7.373 1.00 6.84 H new ATOM 738 N ALA A 46 4.844 3.056 9.126 1.00 6.53 N ATOM 739 CA ALA A 46 5.733 3.749 10.021 1.00 7.15 C ATOM 740 C ALA A 46 5.104 4.985 10.691 1.00 9.00 C ATOM 741 O ALA A 46 5.755 6.016 10.906 1.00 11.15 O ATOM 742 CB ALA A 46 7.006 4.181 9.360 1.00 8.99 C ATOM 0 H ALA A 46 4.847 2.057 9.333 1.00 6.53 H new ATOM 0 HA ALA A 46 5.948 3.005 10.788 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.635 4.698 10.085 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.534 3.306 8.980 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.777 4.854 8.534 1.00 8.99 H new ATOM 748 N GLY A 47 3.799 4.913 11.139 1.00 9.35 N ATOM 749 CA GLY A 47 3.284 5.961 11.920 1.00 11.68 C ATOM 750 C GLY A 47 2.491 6.993 11.070 1.00 11.14 C ATOM 751 O GLY A 47 1.979 7.994 11.613 1.00 13.93 O ATOM 0 H GLY A 47 3.154 4.146 10.950 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.632 5.551 12.691 1.00 11.68 H new ATOM 0 HA3 GLY A 47 4.103 6.467 12.431 1.00 11.68 H new ATOM 755 N LYS A 48 2.416 6.820 9.743 1.00 10.47 N ATOM 756 CA LYS A 48 2.015 7.915 8.938 1.00 8.82 C ATOM 757 C LYS A 48 1.379 7.416 7.644 1.00 7.68 C ATOM 758 O LYS A 48 1.471 6.240 7.318 1.00 6.47 O ATOM 759 CB LYS A 48 3.188 8.864 8.576 1.00 9.74 C ATOM 760 CG LYS A 48 4.354 8.161 7.824 1.00 14.14 C ATOM 761 CD LYS A 48 5.546 9.050 7.605 1.00 16.32 C ATOM 762 CE LYS A 48 6.777 8.346 7.074 1.00 20.04 C ATOM 763 NZ LYS A 48 7.888 9.225 6.893 1.00 23.92 N ATOM 0 H LYS A 48 2.625 5.955 9.245 1.00 10.47 H new ATOM 0 HA LYS A 48 1.296 8.479 9.531 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.808 9.678 7.958 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.576 9.313 9.491 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.664 7.283 8.390 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.992 7.806 6.859 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.268 9.841 6.908 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.800 9.532 8.549 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.059 7.550 7.763 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.536 7.873 6.122 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.700 8.687 6.528 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.634 9.971 6.214 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.140 9.658 7.804 1.00 23.92 H new ATOM 777 N GLN A 49 0.663 8.255 6.875 1.00 8.89 N ATOM 778 CA GLN A 49 -0.028 7.890 5.723 1.00 7.18 C ATOM 779 C GLN A 49 0.878 8.153 4.528 1.00 8.23 C ATOM 780 O GLN A 49 1.488 9.199 4.343 1.00 9.70 O ATOM 781 CB GLN A 49 -1.303 8.729 5.688 1.00 11.67 C ATOM 782 CG GLN A 49 -2.416 8.388 4.564 1.00 15.82 C ATOM 783 CD GLN A 49 -3.603 9.355 4.661 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.465 9.127 5.505 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.655 10.388 3.795 1.00 20.67 N ATOM 0 H GLN A 49 0.575 9.248 7.091 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.303 6.835 5.702 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.781 8.648 6.664 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.011 9.772 5.561 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.969 8.452 3.572 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.765 7.363 4.691 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.905 10.523 3.117 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.444 11.034 3.819 1.00 20.67 H new ATOM 794 N LEU A 50 0.903 7.127 3.631 1.00 6.51 N ATOM 795 CA LEU A 50 1.682 7.082 2.411 1.00 7.41 C ATOM 796 C LEU A 50 1.082 7.814 1.213 1.00 8.27 C ATOM 797 O LEU A 50 -0.078 7.594 0.842 1.00 8.34 O ATOM 798 CB LEU A 50 2.214 5.713 2.096 1.00 7.13 C ATOM 799 CG LEU A 50 2.681 4.781 3.273 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.966 3.415 2.675 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.893 5.368 4.004 1.00 9.11 C ATOM 0 H LEU A 50 0.347 6.283 3.767 1.00 6.51 H new ATOM 0 HA LEU A 50 2.557 7.690 2.641 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.441 5.180 1.543 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.061 5.838 1.421 1.00 7.13 H new ATOM 0 HG LEU A 50 1.903 4.694 4.032 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.294 2.735 3.461 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.060 3.024 2.212 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.749 3.504 1.922 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.190 4.699 4.812 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.721 5.481 3.304 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.632 6.342 4.417 1.00 9.11 H new ATOM 813 N GLU A 51 1.862 8.723 0.569 1.00 9.43 N ATOM 814 CA GLU A 51 1.362 9.627 -0.500 1.00 11.90 C ATOM 815 C GLU A 51 1.578 9.067 -1.913 1.00 11.49 C ATOM 816 O GLU A 51 2.674 8.558 -2.281 1.00 9.88 O ATOM 817 CB GLU A 51 2.191 10.978 -0.457 1.00 16.56 C ATOM 818 CG GLU A 51 1.840 11.802 0.812 1.00 26.06 C ATOM 819 CD GLU A 51 2.679 13.033 0.900 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.679 13.866 -0.005 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.356 13.249 1.959 1.00 32.13 O ATOM 0 H GLU A 51 2.853 8.849 0.776 1.00 9.43 H new ATOM 0 HA GLU A 51 0.296 9.756 -0.314 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.258 10.755 -0.468 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.980 11.568 -1.349 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.786 12.077 0.791 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.992 11.190 1.701 1.00 26.06 H new ATOM 828 N ASP A 52 0.529 9.176 -2.736 1.00 12.71 N ATOM 829 CA ASP A 52 0.288 8.657 -4.093 1.00 16.56 C ATOM 830 C ASP A 52 1.580 8.455 -4.952 1.00 15.83 C ATOM 831 O ASP A 52 1.857 7.355 -5.459 1.00 17.21 O ATOM 832 CB ASP A 52 -0.690 9.550 -4.830 1.00 21.05 C ATOM 833 CG ASP A 52 -1.419 8.995 -6.038 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.110 7.993 -5.885 1.00 28.37 O ATOM 835 OD2 ASP A 52 -1.462 9.575 -7.193 1.00 25.82 O ATOM 0 H ASP A 52 -0.286 9.704 -2.423 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.134 7.662 -3.953 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.442 9.878 -4.113 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.147 10.439 -5.152 1.00 21.05 H new ATOM 840 N GLY A 53 2.332 9.554 -5.205 1.00 15.00 N ATOM 841 CA GLY A 53 3.368 9.595 -6.209 1.00 11.77 C ATOM 842 C GLY A 53 4.770 9.253 -5.543 1.00 11.10 C ATOM 843 O GLY A 53 5.789 9.145 -6.211 1.00 11.25 O ATOM 0 H GLY A 53 2.218 10.433 -4.701 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.147 8.881 -7.003 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.404 10.583 -6.669 1.00 11.77 H new ATOM 847 N ARG A 54 4.771 9.150 -4.136 1.00 8.53 N ATOM 848 CA ARG A 54 5.994 8.841 -3.435 1.00 9.05 C ATOM 849 C ARG A 54 6.271 7.351 -3.569 1.00 8.96 C ATOM 850 O ARG A 54 5.396 6.512 -3.738 1.00 11.60 O ATOM 851 CB ARG A 54 5.840 9.187 -1.961 1.00 7.97 C ATOM 852 CG ARG A 54 5.753 10.712 -1.647 1.00 9.62 C ATOM 853 CD ARG A 54 6.929 11.495 -2.266 1.00 12.20 C ATOM 854 NE ARG A 54 6.683 12.937 -2.099 1.00 18.23 N ATOM 855 CZ ARG A 54 7.570 13.831 -2.415 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.689 13.435 -3.077 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.374 15.101 -2.094 1.00 23.38 N ATOM 0 H ARG A 54 3.952 9.279 -3.543 1.00 8.53 H new ATOM 0 HA ARG A 54 6.816 9.418 -3.858 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.941 8.701 -1.581 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.684 8.767 -1.415 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.812 11.108 -2.029 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.746 10.860 -0.567 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.865 11.214 -1.783 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.030 11.250 -3.323 1.00 12.20 H new ATOM 0 HE ARG A 54 5.786 13.244 -1.723 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.819 12.452 -3.316 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.399 14.121 -3.335 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.526 15.377 -1.598 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.071 15.803 -2.342 1.00 23.38 H new ATOM 871 N THR A 55 7.583 7.072 -3.616 1.00 9.05 N ATOM 872 CA THR A 55 8.038 5.713 -3.883 1.00 9.03 C ATOM 873 C THR A 55 8.170 4.929 -2.626 1.00 8.15 C ATOM 874 O THR A 55 8.351 5.465 -1.516 1.00 5.91 O ATOM 875 CB THR A 55 9.345 5.594 -4.735 1.00 11.15 C ATOM 876 OG1 THR A 55 10.506 6.221 -4.248 1.00 11.95 O ATOM 877 CG2 THR A 55 9.029 6.246 -6.085 1.00 11.71 C ATOM 0 H THR A 55 8.326 7.756 -3.475 1.00 9.05 H new ATOM 0 HA THR A 55 7.250 5.289 -4.506 1.00 9.03 H new ATOM 0 HB THR A 55 9.587 4.531 -4.746 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.288 7.129 -3.952 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.907 6.194 -6.728 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.201 5.719 -6.559 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.754 7.289 -5.930 1.00 11.71 H new ATOM 885 N LEU A 56 8.220 3.543 -2.752 1.00 6.91 N ATOM 886 CA LEU A 56 8.570 2.688 -1.633 1.00 8.29 C ATOM 887 C LEU A 56 9.906 3.021 -0.915 1.00 8.05 C ATOM 888 O LEU A 56 10.039 3.000 0.307 1.00 10.17 O ATOM 889 CB LEU A 56 8.474 1.212 -2.054 1.00 6.60 C ATOM 890 CG LEU A 56 7.020 0.739 -2.231 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.138 -0.731 -2.631 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.131 0.799 -0.949 1.00 8.64 C ATOM 0 H LEU A 56 8.019 3.042 -3.618 1.00 6.91 H new ATOM 0 HA LEU A 56 7.831 2.895 -0.859 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.015 1.069 -2.990 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.965 0.592 -1.304 1.00 6.60 H new ATOM 0 HG LEU A 56 6.536 1.398 -2.952 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.142 -1.149 -2.778 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.706 -0.811 -3.558 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.650 -1.283 -1.843 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.128 0.444 -1.185 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.566 0.168 -0.174 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.077 1.827 -0.591 1.00 8.64 H new ATOM 904 N SER A 57 10.904 3.405 -1.704 1.00 8.92 N ATOM 905 CA SER A 57 12.187 3.989 -1.227 1.00 9.00 C ATOM 906 C SER A 57 12.072 5.167 -0.393 1.00 9.44 C ATOM 907 O SER A 57 12.849 5.300 0.530 1.00 10.91 O ATOM 908 CB SER A 57 12.910 4.387 -2.531 1.00 10.32 C ATOM 909 OG SER A 57 14.262 4.658 -2.351 1.00 13.59 O ATOM 0 H SER A 57 10.858 3.324 -2.720 1.00 8.92 H new ATOM 0 HA SER A 57 12.694 3.261 -0.595 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.802 3.582 -3.258 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.424 5.266 -2.954 1.00 10.32 H new ATOM 0 HG SER A 57 14.664 4.902 -3.211 1.00 13.59 H new ATOM 915 N ASP A 58 11.056 6.074 -0.536 1.00 9.11 N ATOM 916 CA ASP A 58 10.887 7.386 0.073 1.00 7.91 C ATOM 917 C ASP A 58 10.438 7.241 1.486 1.00 9.12 C ATOM 918 O ASP A 58 10.726 8.114 2.313 1.00 8.61 O ATOM 919 CB ASP A 58 9.851 8.259 -0.655 1.00 8.41 C ATOM 920 CG ASP A 58 10.436 8.620 -1.997 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.595 9.115 -2.070 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.754 8.466 -3.031 1.00 11.70 O ATOM 0 H ASP A 58 10.268 5.859 -1.147 1.00 9.11 H new ATOM 0 HA ASP A 58 11.860 7.874 0.008 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.912 7.720 -0.777 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.630 9.157 -0.077 1.00 8.41 H new ATOM 927 N TYR A 59 9.831 6.087 1.792 1.00 7.97 N ATOM 928 CA TYR A 59 9.351 5.681 3.061 1.00 8.45 C ATOM 929 C TYR A 59 10.182 4.542 3.679 1.00 10.98 C ATOM 930 O TYR A 59 9.892 4.009 4.765 1.00 12.95 O ATOM 931 CB TYR A 59 7.897 5.276 2.845 1.00 7.94 C ATOM 932 CG TYR A 59 7.081 6.514 2.482 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.975 7.581 3.425 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.293 6.458 1.321 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.011 8.596 3.142 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.372 7.454 1.110 1.00 6.52 C ATOM 937 CZ TYR A 59 5.269 8.542 1.973 1.00 6.76 C ATOM 938 OH TYR A 59 4.398 9.576 1.585 1.00 7.63 O ATOM 0 H TYR A 59 9.664 5.376 1.080 1.00 7.97 H new ATOM 0 HA TYR A 59 9.436 6.495 3.781 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.828 4.534 2.050 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.497 4.814 3.748 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.594 7.619 4.309 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.409 5.652 0.612 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.860 9.406 3.840 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.713 7.392 0.256 1.00 6.52 H new ATOM 0 HH TYR A 59 4.733 10.431 1.926 1.00 7.63 H new ATOM 948 N ASN A 60 11.325 4.225 2.995 1.00 12.38 N ATOM 949 CA ASN A 60 12.318 3.208 3.225 1.00 13.94 C ATOM 950 C ASN A 60 11.669 1.830 3.439 1.00 14.16 C ATOM 951 O ASN A 60 11.914 1.164 4.438 1.00 14.26 O ATOM 952 CB ASN A 60 13.331 3.582 4.325 1.00 19.23 C ATOM 953 CG ASN A 60 14.268 4.712 3.822 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.238 4.417 3.103 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.880 5.950 4.195 1.00 24.09 N ATOM 0 H ASN A 60 11.572 4.768 2.168 1.00 12.38 H new ATOM 0 HA ASN A 60 12.914 3.138 2.315 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.803 3.908 5.221 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.919 2.707 4.602 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.405 6.766 3.880 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.062 6.070 4.792 1.00 24.09 H new ATOM 962 N ILE A 61 10.931 1.331 2.456 1.00 11.08 N ATOM 963 CA ILE A 61 10.206 0.102 2.577 1.00 11.78 C ATOM 964 C ILE A 61 10.975 -1.034 1.894 1.00 13.74 C ATOM 965 O ILE A 61 11.109 -1.172 0.657 1.00 14.60 O ATOM 966 CB ILE A 61 8.759 0.247 2.084 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.964 1.046 3.109 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.162 -1.195 1.860 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.689 1.479 2.460 1.00 11.42 C ATOM 0 H ILE A 61 10.827 1.784 1.548 1.00 11.08 H new ATOM 0 HA ILE A 61 10.125 -0.160 3.632 1.00 11.78 H new ATOM 0 HB ILE A 61 8.712 0.785 1.137 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.757 0.439 3.990 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.535 1.912 3.445 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.133 -1.112 1.509 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.758 -1.724 1.116 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.182 -1.747 2.800 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.096 2.055 3.171 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.915 2.097 1.591 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.125 0.601 2.144 1.00 11.42 H new ATOM 981 N GLN A 62 11.511 -1.926 2.776 1.00 13.97 N ATOM 982 CA GLN A 62 12.465 -2.923 2.439 1.00 15.52 C ATOM 983 C GLN A 62 11.862 -4.219 2.418 1.00 13.94 C ATOM 984 O GLN A 62 10.741 -4.483 2.853 1.00 12.15 O ATOM 985 CB GLN A 62 13.644 -2.818 3.417 1.00 19.53 C ATOM 986 CG GLN A 62 14.161 -1.397 3.623 1.00 26.38 C ATOM 987 CD GLN A 62 15.497 -1.370 4.405 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.480 -1.404 5.629 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.609 -1.116 3.683 1.00 32.71 N ATOM 0 H GLN A 62 11.256 -1.937 3.764 1.00 13.97 H new ATOM 0 HA GLN A 62 12.847 -2.763 1.431 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.339 -3.225 4.381 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.461 -3.441 3.052 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.299 -0.918 2.654 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.414 -0.815 4.163 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.563 -1.100 2.664 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.495 -0.940 4.156 1.00 32.71 H new ATOM 998 N LYS A 63 12.503 -5.267 1.928 1.00 11.73 N ATOM 999 CA LYS A 63 11.985 -6.601 1.798 1.00 11.97 C ATOM 1000 C LYS A 63 11.422 -7.061 3.059 1.00 10.41 C ATOM 1001 O LYS A 63 12.005 -6.969 4.179 1.00 9.59 O ATOM 1002 CB LYS A 63 13.051 -7.591 1.238 1.00 13.73 C ATOM 1003 CG LYS A 63 14.343 -7.593 2.069 1.00 16.98 C ATOM 1004 CD LYS A 63 15.218 -8.766 1.696 1.00 20.19 C ATOM 1005 CE LYS A 63 14.885 -10.034 2.603 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.271 -9.892 4.000 1.00 25.97 N ATOM 0 H LYS A 63 13.463 -5.194 1.590 1.00 11.73 H new ATOM 0 HA LYS A 63 11.179 -6.573 1.065 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.633 -8.598 1.219 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.285 -7.323 0.208 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.886 -6.662 1.907 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.098 -7.639 3.130 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.070 -9.016 0.645 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.267 -8.495 1.814 1.00 20.19 H new ATOM 0 HE2 LYS A 63 13.814 -10.230 2.553 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.389 -10.906 2.186 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.260 -10.825 4.460 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.228 -9.489 4.056 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.601 -9.260 4.483 1.00 25.97 H new ATOM 1020 N GLU A 64 10.237 -7.710 2.930 1.00 10.04 N ATOM 1021 CA GLU A 64 9.427 -8.314 3.950 1.00 10.94 C ATOM 1022 C GLU A 64 8.830 -7.387 4.982 1.00 9.74 C ATOM 1023 O GLU A 64 8.421 -7.784 6.065 1.00 9.42 O ATOM 1024 CB GLU A 64 10.126 -9.497 4.645 1.00 18.31 C ATOM 1025 CG GLU A 64 10.517 -10.718 3.722 1.00 24.16 C ATOM 1026 CD GLU A 64 11.044 -11.968 4.430 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.512 -12.310 5.536 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.021 -12.579 3.986 1.00 32.61 O ATOM 0 H GLU A 64 9.808 -7.819 2.011 1.00 10.04 H new ATOM 0 HA GLU A 64 8.578 -8.677 3.371 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.032 -9.126 5.124 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.473 -9.862 5.438 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.640 -11.000 3.140 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.275 -10.382 3.014 1.00 24.16 H new ATOM 1035 N SER A 65 8.802 -6.068 4.717 1.00 6.85 N ATOM 1036 CA SER A 65 8.167 -5.088 5.558 1.00 6.90 C ATOM 1037 C SER A 65 6.631 -5.123 5.464 1.00 4.72 C ATOM 1038 O SER A 65 6.113 -5.634 4.460 1.00 3.91 O ATOM 1039 CB SER A 65 8.679 -3.654 5.222 1.00 7.28 C ATOM 1040 OG SER A 65 8.514 -2.702 6.280 1.00 10.56 O ATOM 0 H SER A 65 9.237 -5.664 3.887 1.00 6.85 H new ATOM 0 HA SER A 65 8.438 -5.345 6.582 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.736 -3.711 4.963 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.153 -3.292 4.339 1.00 7.28 H new ATOM 0 HG SER A 65 7.787 -2.085 6.054 1.00 10.56 H new ATOM 1046 N THR A 66 5.898 -4.704 6.484 1.00 4.48 N ATOM 1047 CA THR A 66 4.463 -5.022 6.490 1.00 3.80 C ATOM 1048 C THR A 66 3.748 -3.700 6.442 1.00 4.60 C ATOM 1049 O THR A 66 3.918 -2.798 7.233 1.00 5.33 O ATOM 1050 CB THR A 66 4.041 -5.730 7.731 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.708 -6.954 7.889 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.537 -6.023 7.732 1.00 3.40 C ATOM 0 H THR A 66 6.241 -4.170 7.283 1.00 4.48 H new ATOM 0 HA THR A 66 4.233 -5.676 5.649 1.00 3.80 H new ATOM 0 HB THR A 66 4.295 -5.059 8.552 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.406 -7.387 8.714 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.268 -6.540 8.653 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.984 -5.086 7.667 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.288 -6.652 6.877 1.00 3.40 H new ATOM 1060 N LEU A 67 2.860 -3.622 5.439 1.00 4.17 N ATOM 1061 CA LEU A 67 2.165 -2.409 5.085 1.00 3.85 C ATOM 1062 C LEU A 67 0.729 -2.493 5.486 1.00 3.80 C ATOM 1063 O LEU A 67 -0.019 -3.278 4.962 1.00 5.54 O ATOM 1064 CB LEU A 67 2.287 -2.180 3.570 1.00 7.18 C ATOM 1065 CG LEU A 67 3.788 -1.959 3.101 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.819 -1.523 1.661 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.479 -0.963 3.973 1.00 11.66 C ATOM 0 H LEU A 67 2.612 -4.419 4.853 1.00 4.17 H new ATOM 0 HA LEU A 67 2.614 -1.569 5.614 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.869 -3.037 3.043 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.692 -1.311 3.289 1.00 7.18 H new ATOM 0 HG LEU A 67 4.322 -2.905 3.191 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.852 -1.374 1.348 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.359 -2.290 1.039 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.268 -0.589 1.552 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.505 -0.830 3.631 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.953 -0.009 3.924 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.484 -1.322 5.002 1.00 11.66 H new ATOM 1079 N HIS A 68 0.282 -1.612 6.434 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.183 -1.572 6.710 1.00 4.17 C ATOM 1081 C HIS A 68 -2.035 -0.967 5.582 1.00 5.32 C ATOM 1082 O HIS A 68 -1.737 0.100 5.023 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.420 -0.762 7.992 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.547 -1.149 9.113 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.704 -0.610 9.256 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.713 -2.001 10.146 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.239 -1.123 10.376 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.406 -1.957 10.975 1.00 16.30 N ATOM 0 H HIS A 68 0.861 -0.972 6.977 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.501 -2.610 6.807 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.269 0.295 7.775 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.460 -0.879 8.297 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.148 0.059 8.627 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.581 -2.623 10.306 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.227 -0.884 10.742 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.125 -1.658 5.146 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.030 -1.231 4.052 1.00 3.97 C ATOM 1098 C LEU A 69 -5.247 -0.845 4.829 1.00 5.07 C ATOM 1099 O LEU A 69 -5.857 -1.668 5.504 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.218 -2.494 3.151 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.371 -2.493 2.206 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.401 -1.257 1.299 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.330 -3.808 1.404 1.00 9.96 C ATOM 0 H LEU A 69 -3.401 -2.549 5.559 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.717 -0.421 3.393 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.306 -2.633 2.571 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.317 -3.362 3.803 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.299 -2.436 2.775 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.263 -1.314 0.634 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.474 -0.358 1.911 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.487 -1.219 0.706 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.165 -3.833 0.703 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.392 -3.869 0.853 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.405 -4.654 2.088 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.581 0.466 4.723 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.799 0.981 5.321 1.00 6.26 C ATOM 1117 C VAL A 70 -7.888 1.306 4.290 1.00 9.22 C ATOM 1118 O VAL A 70 -7.604 2.009 3.316 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.706 1.985 6.505 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.705 1.403 7.432 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.322 3.408 6.008 1.00 8.54 C ATOM 0 H VAL A 70 -5.020 1.163 4.232 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.128 0.107 5.882 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.662 2.122 7.011 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.585 2.058 8.295 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.044 0.422 7.765 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -4.749 1.301 6.918 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.265 4.087 6.858 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.354 3.370 5.508 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.078 3.765 5.308 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.150 0.813 4.583 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.156 0.724 3.586 1.00 16.06 C ATOM 1133 C LEU A 71 -11.198 1.762 3.777 1.00 18.09 C ATOM 1134 O LEU A 71 -11.465 2.126 4.923 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.802 -0.730 3.583 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.724 -1.699 3.042 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.396 -3.101 2.997 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.174 -1.280 1.680 1.00 19.57 C ATOM 0 H LEU A 71 -9.438 0.489 5.506 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.689 0.901 2.617 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.111 -1.018 4.588 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.694 -0.755 2.956 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.849 -1.698 3.692 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.683 -3.835 2.621 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.714 -3.385 4.000 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.263 -3.068 2.338 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.422 -1.999 1.354 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.986 -1.250 0.953 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.721 -0.292 1.759 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.856 2.152 2.641 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.873 3.167 2.598 1.00 25.83 C ATOM 1152 C ARG A 72 -14.104 2.505 2.010 1.00 27.74 C ATOM 1153 O ARG A 72 -15.014 3.112 1.464 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.471 4.304 1.635 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.128 4.921 2.011 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.577 5.997 1.145 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.520 7.185 1.053 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.465 8.191 0.167 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.518 8.301 -0.731 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.388 9.085 0.325 1.00 35.02 N ATOM 0 H ARG A 72 -11.665 1.739 1.728 1.00 21.47 H new ATOM 0 HA ARG A 72 -13.032 3.579 3.595 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -12.420 3.917 0.617 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -13.240 5.076 1.644 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.217 5.321 3.021 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.393 4.117 2.050 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.616 6.326 1.540 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.392 5.601 0.146 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.275 7.222 1.738 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.777 7.602 -0.779 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.522 9.086 -1.383 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.073 8.984 1.074 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -12.431 9.890 -0.300 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.039 1.206 1.897 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.759 0.274 1.043 1.00 30.76 C ATOM 1176 C LEU A 73 -16.246 0.168 1.396 1.00 32.18 C ATOM 1177 O LEU A 73 -17.073 -0.188 0.578 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.123 -1.098 1.101 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.671 -2.243 0.159 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -13.473 -3.130 -0.370 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.594 -3.158 0.876 1.00 29.11 C ATOM 0 H LEU A 73 -13.384 0.694 2.487 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.693 0.671 0.030 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -13.061 -0.977 0.886 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -14.202 -1.453 2.129 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.199 -1.747 -0.656 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -13.861 -3.916 -1.018 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -12.779 -2.506 -0.932 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -12.953 -3.580 0.475 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.947 -3.929 0.191 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.069 -3.625 1.709 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.445 -2.593 1.255 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.594 0.563 2.615 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.907 0.751 3.224 1.00 35.33 C ATOM 1195 C ARG A 74 -18.264 2.236 3.525 1.00 36.22 C ATOM 1196 O ARG A 74 -19.269 2.559 4.155 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.935 0.008 4.544 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.482 -1.455 4.411 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.398 -2.337 3.618 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.760 -3.666 3.578 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.030 -4.547 2.641 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -18.897 -4.308 1.596 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.424 -5.772 2.702 1.00 41.93 N ATOM 0 H ARG A 74 -15.863 0.789 3.290 1.00 33.82 H new ATOM 0 HA ARG A 74 -18.634 0.378 2.502 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.290 0.520 5.258 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.946 0.036 4.950 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.496 -1.472 3.948 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.372 -1.877 5.410 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.383 -2.392 4.082 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.541 -1.944 2.611 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.085 -3.910 4.303 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -19.369 -3.407 1.521 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -19.066 -5.032 0.898 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.779 -5.985 3.463 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.617 -6.473 1.987 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.577 3.112 2.855 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.837 4.558 3.027 1.00 36.07 C ATOM 1219 C GLY A 75 -16.690 5.323 3.584 1.00 36.16 C ATOM 1220 O GLY A 75 -15.905 4.834 4.407 1.00 36.26 O ATOM 0 H GLY A 75 -16.839 2.883 2.189 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.108 4.984 2.061 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.697 4.685 3.684 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.611 6.610 3.169 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.638 7.593 3.601 1.00 36.19 C ATOM 1226 C GLY A 76 -14.519 7.828 2.650 1.00 36.20 C ATOM 1227 O GLY A 76 -13.321 7.531 3.084 1.00 0.00 O ATOM 1228 OXT GLY A 76 -14.727 8.238 1.493 1.00 0.00 O ATOM 0 H GLY A 76 -17.267 6.992 2.488 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.152 8.538 3.775 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.222 7.275 4.557 1.00 36.19 H new TER 1232 GLY A 76