USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 55 THR OG1 : rot 121:sc= 0.519 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.48 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.225 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.11 K(o=1.3,f=-1.5!) USER MOD Set 3.1: A 7 THR OG1 : rot 146:sc= 1.27 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.978 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -170:sc= 1.05 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 150:sc= 0.889 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.6 (180deg=2.27) USER MOD Single : A 2 GLN : amide:sc= -0.0774 K(o=-0.077,f=-2.2!) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.22) USER MOD Single : A 14 THR OG1 : rot -62:sc= 0.133 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 2.08 (180deg=1.75) USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= 0.0714 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ -113:sc= 0.00978 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.14 K(o=1.1,f=-2.9!) 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=-0.35) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.794 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= 1.24 (180deg=1.12) USER MOD Single : A 65 SER OG : rot -158:sc= 0.0841 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.445 -6.958 -4.906 1.00 9.67 N ATOM 2 CA MET A 1 11.445 -7.479 -3.508 1.00 10.38 C ATOM 3 C MET A 1 10.071 -7.857 -3.041 1.00 9.62 C ATOM 4 O MET A 1 9.076 -7.366 -3.492 1.00 9.62 O ATOM 5 CB MET A 1 12.140 -6.470 -2.625 1.00 13.77 C ATOM 6 CG MET A 1 11.515 -5.026 -2.451 1.00 16.29 C ATOM 7 SD MET A 1 12.407 -4.041 -1.266 1.00 17.17 S ATOM 8 CE MET A 1 11.295 -2.608 -1.023 1.00 16.11 C ATOM 0 H1 MET A 1 12.425 -6.854 -5.238 1.00 9.67 H new ATOM 0 H2 MET A 1 10.939 -7.623 -5.524 1.00 9.67 H new ATOM 0 H3 MET A 1 10.971 -6.033 -4.932 1.00 9.67 H new ATOM 0 HA MET A 1 12.002 -8.414 -3.458 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.227 -6.910 -1.632 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.153 -6.344 -3.008 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.511 -4.516 -3.414 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.476 -5.118 -2.135 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.740 -1.920 -0.304 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.149 -2.096 -1.974 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.333 -2.954 -0.646 1.00 16.11 H new ATOM 20 N GLN A 2 10.034 -8.790 -2.055 1.00 9.27 N ATOM 21 CA GLN A 2 8.822 -9.136 -1.297 1.00 9.07 C ATOM 22 C GLN A 2 8.420 -8.040 -0.274 1.00 8.72 C ATOM 23 O GLN A 2 9.231 -7.514 0.419 1.00 8.22 O ATOM 24 CB GLN A 2 9.133 -10.434 -0.548 1.00 14.46 C ATOM 25 CG GLN A 2 7.952 -11.074 0.123 1.00 17.01 C ATOM 26 CD GLN A 2 8.384 -12.416 0.785 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.379 -12.527 1.518 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.629 -13.489 0.385 1.00 19.49 N ATOM 0 H GLN A 2 10.855 -9.323 -1.768 1.00 9.27 H new ATOM 0 HA GLN A 2 7.984 -9.238 -1.987 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.564 -11.147 -1.250 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.894 -10.229 0.205 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.542 -10.402 0.877 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.162 -11.255 -0.606 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.819 -13.346 -0.219 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.877 -14.430 0.691 1.00 19.49 H new ATOM 37 N ILE A 3 7.127 -7.757 -0.097 1.00 5.87 N ATOM 38 CA ILE A 3 6.493 -7.057 0.979 1.00 5.07 C ATOM 39 C ILE A 3 5.165 -7.639 1.293 1.00 4.01 C ATOM 40 O ILE A 3 4.702 -8.588 0.634 1.00 4.61 O ATOM 41 CB ILE A 3 6.441 -5.556 0.724 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.537 -5.190 -0.512 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.882 -4.971 0.627 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.753 -3.907 -0.562 1.00 10.83 C ATOM 0 H ILE A 3 6.440 -8.053 -0.790 1.00 5.87 H new ATOM 0 HA ILE A 3 7.106 -7.188 1.871 1.00 5.07 H new ATOM 0 HB ILE A 3 5.958 -5.082 1.578 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.182 -5.201 -1.390 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.821 -6.003 -0.632 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.827 -3.898 0.445 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.413 -5.154 1.561 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.415 -5.452 -0.193 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.200 -3.855 -1.500 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.054 -3.875 0.274 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.436 -3.060 -0.496 1.00 10.83 H new ATOM 56 N PHE A 4 4.621 -7.224 2.439 1.00 4.55 N ATOM 57 CA PHE A 4 3.344 -7.778 2.842 1.00 4.68 C ATOM 58 C PHE A 4 2.449 -6.574 3.055 1.00 5.30 C ATOM 59 O PHE A 4 2.945 -5.541 3.435 1.00 5.58 O ATOM 60 CB PHE A 4 3.414 -8.601 4.126 1.00 4.83 C ATOM 61 CG PHE A 4 4.426 -9.721 3.936 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.001 -10.919 3.325 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.696 -9.564 4.367 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.951 -11.917 3.105 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.662 -10.578 4.178 1.00 10.61 C ATOM 66 CZ PHE A 4 6.286 -11.761 3.531 1.00 8.90 C ATOM 0 H PHE A 4 5.028 -6.537 3.074 1.00 4.55 H new ATOM 0 HA PHE A 4 2.980 -8.468 2.081 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.705 -7.968 4.965 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.434 -9.014 4.363 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.970 -11.060 3.036 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.978 -8.648 4.865 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.658 -12.825 2.599 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.675 -10.442 4.527 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.009 -12.544 3.360 1.00 8.90 H new ATOM 76 N VAL A 5 1.153 -6.654 2.806 1.00 4.44 N ATOM 77 CA VAL A 5 0.159 -5.614 3.090 1.00 3.87 C ATOM 78 C VAL A 5 -0.927 -6.307 3.968 1.00 4.93 C ATOM 79 O VAL A 5 -1.373 -7.392 3.570 1.00 6.84 O ATOM 80 CB VAL A 5 -0.463 -5.049 1.822 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.541 -4.027 2.194 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.534 -4.464 0.857 1.00 9.13 C ATOM 0 H VAL A 5 0.738 -7.483 2.380 1.00 4.44 H new ATOM 0 HA VAL A 5 0.623 -4.766 3.593 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.912 -5.887 1.289 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.987 -3.622 1.286 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.312 -4.513 2.792 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.092 -3.218 2.770 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.011 -4.083 -0.020 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.073 -3.649 1.340 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.240 -5.236 0.551 1.00 9.13 H new ATOM 92 N LYS A 6 -1.298 -5.757 5.140 1.00 6.04 N ATOM 93 CA LYS A 6 -2.181 -6.414 6.059 1.00 6.12 C ATOM 94 C LYS A 6 -3.369 -5.522 6.250 1.00 6.57 C ATOM 95 O LYS A 6 -3.403 -4.306 6.137 1.00 5.76 O ATOM 96 CB LYS A 6 -1.571 -6.802 7.419 1.00 7.45 C ATOM 97 CG LYS A 6 -0.590 -8.016 7.315 1.00 11.12 C ATOM 98 CD LYS A 6 -0.199 -8.341 8.705 1.00 14.54 C ATOM 99 CE LYS A 6 0.668 -9.646 8.919 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.233 -10.819 8.721 1.00 20.55 N ATOM 0 H LYS A 6 -0.980 -4.841 5.456 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.443 -7.375 5.616 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.040 -5.945 7.832 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.373 -7.046 8.116 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.072 -8.868 6.835 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.283 -7.763 6.713 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.358 -7.495 9.107 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.108 -8.436 9.299 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.497 -9.676 8.212 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.101 -9.659 9.919 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.257 -11.687 9.018 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.094 -10.695 9.291 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.490 -10.893 7.716 1.00 20.55 H new ATOM 114 N THR A 7 -4.542 -6.171 6.431 1.00 7.41 N ATOM 115 CA THR A 7 -5.830 -5.560 6.154 1.00 7.48 C ATOM 116 C THR A 7 -6.563 -5.609 7.449 1.00 8.75 C ATOM 117 O THR A 7 -6.063 -6.171 8.441 1.00 8.58 O ATOM 118 CB THR A 7 -6.619 -6.352 5.083 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.988 -7.662 5.539 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.895 -6.606 3.803 1.00 9.17 C ATOM 0 H THR A 7 -4.605 -7.130 6.773 1.00 7.41 H new ATOM 0 HA THR A 7 -5.709 -4.548 5.767 1.00 7.48 H new ATOM 0 HB THR A 7 -7.470 -5.693 4.908 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.856 -7.909 5.157 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.539 -7.167 3.126 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.625 -5.655 3.343 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.991 -7.181 4.004 1.00 9.17 H new ATOM 128 N LEU A 8 -7.790 -5.128 7.603 1.00 9.84 N ATOM 129 CA LEU A 8 -8.607 -5.365 8.738 1.00 14.15 C ATOM 130 C LEU A 8 -9.657 -6.435 8.398 1.00 17.37 C ATOM 131 O LEU A 8 -10.530 -6.713 9.222 1.00 17.01 O ATOM 132 CB LEU A 8 -9.392 -4.074 9.274 1.00 16.63 C ATOM 133 CG LEU A 8 -8.513 -2.792 9.526 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.437 -1.588 9.754 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.555 -2.950 10.730 1.00 18.59 C ATOM 0 H LEU A 8 -8.241 -4.542 6.901 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.923 -5.682 9.525 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.171 -3.821 8.555 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.892 -4.337 10.206 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.891 -2.640 8.644 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.836 -0.696 9.929 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.062 -1.437 8.874 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.071 -1.775 10.621 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.975 -2.036 10.856 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.134 -3.139 11.634 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.880 -3.787 10.550 1.00 18.59 H new ATOM 147 N THR A 9 -9.565 -7.153 7.249 1.00 18.33 N ATOM 148 CA THR A 9 -10.528 -8.190 6.764 1.00 19.24 C ATOM 149 C THR A 9 -10.046 -9.606 7.131 1.00 19.48 C ATOM 150 O THR A 9 -10.648 -10.597 6.638 1.00 23.14 O ATOM 151 CB THR A 9 -10.691 -8.074 5.305 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.495 -8.361 4.536 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.225 -6.697 4.882 1.00 19.70 C ATOM 0 H THR A 9 -8.786 -7.023 6.604 1.00 18.33 H new ATOM 0 HA THR A 9 -11.489 -8.023 7.250 1.00 19.24 H new ATOM 0 HB THR A 9 -11.424 -8.847 5.074 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.689 -8.263 3.580 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.327 -6.664 3.797 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.198 -6.527 5.343 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.530 -5.922 5.205 1.00 19.70 H new ATOM 161 N GLY A 10 -9.018 -9.735 7.970 1.00 19.43 N ATOM 162 CA GLY A 10 -8.294 -10.945 8.268 1.00 18.74 C ATOM 163 C GLY A 10 -7.488 -11.565 7.150 1.00 17.62 C ATOM 164 O GLY A 10 -7.630 -12.756 6.938 1.00 19.74 O ATOM 0 H GLY A 10 -8.654 -8.935 8.488 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.617 -10.737 9.097 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.010 -11.688 8.620 1.00 18.74 H new ATOM 168 N LYS A 11 -6.649 -10.740 6.447 1.00 13.56 N ATOM 169 CA LYS A 11 -5.807 -11.207 5.350 1.00 11.91 C ATOM 170 C LYS A 11 -4.439 -10.632 5.368 1.00 10.18 C ATOM 171 O LYS A 11 -4.156 -9.632 6.043 1.00 9.10 O ATOM 172 CB LYS A 11 -6.385 -10.786 3.988 1.00 13.43 C ATOM 173 CG LYS A 11 -7.810 -11.332 3.795 1.00 16.69 C ATOM 174 CD LYS A 11 -8.218 -11.296 2.303 1.00 17.92 C ATOM 175 CE LYS A 11 -9.764 -11.523 2.204 1.00 20.81 C ATOM 176 NZ LYS A 11 -10.281 -11.444 0.849 1.00 21.93 N ATOM 0 H LYS A 11 -6.554 -9.743 6.641 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.773 -12.288 5.484 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.397 -9.698 3.916 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.741 -11.152 3.188 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.865 -12.355 4.167 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.513 -10.741 4.383 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.947 -10.338 1.859 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.686 -12.067 1.746 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -10.006 -12.501 2.619 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -10.271 -10.781 2.821 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -11.313 -11.570 0.863 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -10.051 -10.514 0.443 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.849 -12.191 0.269 1.00 21.93 H new ATOM 190 N THR A 12 -3.591 -11.233 4.612 1.00 9.63 N ATOM 191 CA THR A 12 -2.262 -10.688 4.242 1.00 9.85 C ATOM 192 C THR A 12 -2.060 -10.830 2.698 1.00 11.66 C ATOM 193 O THR A 12 -2.330 -11.817 1.993 1.00 12.33 O ATOM 194 CB THR A 12 -1.081 -11.462 4.787 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.259 -11.498 6.168 1.00 10.91 O ATOM 196 CG2 THR A 12 0.342 -10.790 4.615 1.00 9.63 C ATOM 0 H THR A 12 -3.775 -12.149 4.203 1.00 9.63 H new ATOM 0 HA THR A 12 -2.276 -9.673 4.638 1.00 9.85 H new ATOM 0 HB THR A 12 -1.071 -12.407 4.244 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.864 -12.320 6.527 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.105 -11.439 5.044 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.548 -10.640 3.555 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.354 -9.828 5.127 1.00 9.63 H new ATOM 204 N ILE A 13 -1.424 -9.787 2.081 1.00 10.42 N ATOM 205 CA ILE A 13 -1.193 -9.654 0.661 1.00 11.84 C ATOM 206 C ILE A 13 0.302 -9.663 0.493 1.00 10.55 C ATOM 207 O ILE A 13 1.000 -8.719 0.754 1.00 11.92 O ATOM 208 CB ILE A 13 -1.849 -8.413 -0.005 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.387 -8.380 0.352 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.738 -8.568 -1.516 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.206 -7.148 -0.081 1.00 16.46 C ATOM 0 H ILE A 13 -1.054 -8.997 2.609 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.678 -10.479 0.140 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.355 -7.506 0.343 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.851 -9.261 -0.091 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.481 -8.479 1.433 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.193 -7.706 -2.005 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.687 -8.633 -1.799 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.254 -9.476 -1.827 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.242 -7.271 0.234 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.790 -6.253 0.382 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.166 -7.047 -1.166 1.00 16.46 H new ATOM 223 N THR A 14 0.841 -10.691 -0.178 1.00 9.39 N ATOM 224 CA THR A 14 2.232 -10.719 -0.593 1.00 9.63 C ATOM 225 C THR A 14 2.424 -10.064 -1.963 1.00 11.20 C ATOM 226 O THR A 14 1.919 -10.503 -2.991 1.00 11.63 O ATOM 227 CB THR A 14 2.746 -12.188 -0.609 1.00 10.38 C ATOM 228 OG1 THR A 14 2.669 -12.890 0.600 1.00 16.30 O ATOM 229 CG2 THR A 14 4.221 -12.277 -1.059 1.00 11.66 C ATOM 0 H THR A 14 0.315 -11.524 -0.444 1.00 9.39 H new ATOM 0 HA THR A 14 2.815 -10.143 0.126 1.00 9.63 H new ATOM 0 HB THR A 14 2.057 -12.654 -1.314 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.226 -12.445 1.273 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.540 -13.319 -1.056 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.320 -11.870 -2.065 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.846 -11.704 -0.373 1.00 11.66 H new ATOM 237 N LEU A 15 3.294 -9.019 -2.040 1.00 8.29 N ATOM 238 CA LEU A 15 3.532 -8.203 -3.252 1.00 9.03 C ATOM 239 C LEU A 15 4.992 -8.197 -3.707 1.00 8.59 C ATOM 240 O LEU A 15 5.975 -8.309 -2.951 1.00 7.79 O ATOM 241 CB LEU A 15 3.130 -6.675 -3.103 1.00 11.08 C ATOM 242 CG LEU A 15 1.659 -6.520 -2.841 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.242 -5.068 -2.727 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.797 -7.225 -3.863 1.00 15.27 C ATOM 0 H LEU A 15 3.857 -8.719 -1.244 1.00 8.29 H new ATOM 0 HA LEU A 15 2.890 -8.696 -3.982 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.696 -6.226 -2.287 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.398 -6.136 -4.012 1.00 11.08 H new ATOM 0 HG LEU A 15 1.493 -7.003 -1.878 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.170 -5.011 -2.538 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.781 -4.598 -1.904 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.474 -4.549 -3.657 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.254 -7.075 -3.618 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.000 -6.818 -4.853 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.023 -8.291 -3.856 1.00 15.27 H new ATOM 256 N GLU A 16 5.234 -8.053 -5.015 1.00 11.04 N ATOM 257 CA GLU A 16 6.525 -7.797 -5.583 1.00 11.50 C ATOM 258 C GLU A 16 6.558 -6.327 -5.988 1.00 10.13 C ATOM 259 O GLU A 16 5.693 -5.853 -6.754 1.00 9.83 O ATOM 260 CB GLU A 16 6.739 -8.606 -6.885 1.00 17.22 C ATOM 261 CG GLU A 16 8.015 -8.499 -7.776 1.00 23.33 C ATOM 262 CD GLU A 16 9.204 -8.754 -6.894 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.152 -9.745 -6.123 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.216 -7.994 -7.051 1.00 28.90 O ATOM 0 H GLU A 16 4.497 -8.117 -5.717 1.00 11.04 H new ATOM 0 HA GLU A 16 7.287 -8.067 -4.852 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.647 -9.657 -6.610 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.894 -8.371 -7.533 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.977 -9.225 -8.588 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.082 -7.512 -8.233 1.00 23.33 H new ATOM 271 N VAL A 17 7.559 -5.611 -5.456 1.00 8.99 N ATOM 272 CA VAL A 17 7.711 -4.207 -5.693 1.00 8.85 C ATOM 273 C VAL A 17 9.213 -3.950 -5.856 1.00 8.04 C ATOM 274 O VAL A 17 10.059 -4.725 -5.437 1.00 8.99 O ATOM 275 CB VAL A 17 7.227 -3.408 -4.537 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.693 -3.394 -4.407 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.851 -3.903 -3.270 1.00 10.54 C ATOM 0 H VAL A 17 8.277 -6.010 -4.851 1.00 8.99 H new ATOM 0 HA VAL A 17 7.135 -3.918 -6.572 1.00 8.85 H new ATOM 0 HB VAL A 17 7.531 -2.378 -4.721 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.406 -2.793 -3.544 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.255 -2.965 -5.309 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.330 -4.413 -4.277 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.489 -3.310 -2.430 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.584 -4.949 -3.117 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.935 -3.811 -3.338 1.00 10.54 H new ATOM 287 N GLU A 18 9.619 -2.820 -6.486 1.00 7.29 N ATOM 288 CA GLU A 18 10.984 -2.303 -6.405 1.00 7.08 C ATOM 289 C GLU A 18 10.938 -1.203 -5.331 1.00 6.45 C ATOM 290 O GLU A 18 9.846 -0.673 -5.141 1.00 5.28 O ATOM 291 CB GLU A 18 11.490 -1.715 -7.792 1.00 10.28 C ATOM 292 CG GLU A 18 11.914 -2.680 -8.919 1.00 12.65 C ATOM 293 CD GLU A 18 12.988 -3.731 -8.521 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.188 -3.384 -8.378 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.652 -4.930 -8.340 1.00 18.17 O ATOM 0 H GLU A 18 8.999 -2.250 -7.062 1.00 7.29 H new ATOM 0 HA GLU A 18 11.686 -3.099 -6.155 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.696 -1.081 -8.187 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.340 -1.066 -7.581 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.029 -3.206 -9.277 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.295 -2.093 -9.754 1.00 12.65 H new ATOM 302 N PRO A 19 12.018 -0.852 -4.632 1.00 7.24 N ATOM 303 CA PRO A 19 12.051 0.343 -3.815 1.00 7.07 C ATOM 304 C PRO A 19 11.619 1.675 -4.465 1.00 6.65 C ATOM 305 O PRO A 19 11.199 2.538 -3.741 1.00 6.37 O ATOM 306 CB PRO A 19 13.556 0.372 -3.377 1.00 7.61 C ATOM 307 CG PRO A 19 13.969 -1.053 -3.283 1.00 8.16 C ATOM 308 CD PRO A 19 13.216 -1.674 -4.496 1.00 7.49 C ATOM 0 HA PRO A 19 11.309 0.280 -3.019 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.166 0.910 -4.103 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.677 0.880 -2.420 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.049 -1.173 -3.365 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.669 -1.506 -2.338 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.824 -1.644 -5.400 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.964 -2.719 -4.316 1.00 7.49 H new ATOM 316 N SER A 20 11.696 1.844 -5.792 1.00 6.80 N ATOM 317 CA SER A 20 11.307 3.053 -6.494 1.00 6.28 C ATOM 318 C SER A 20 9.933 2.891 -7.095 1.00 8.45 C ATOM 319 O SER A 20 9.516 3.786 -7.865 1.00 7.26 O ATOM 320 CB SER A 20 12.291 3.325 -7.659 1.00 8.57 C ATOM 321 OG SER A 20 13.678 3.509 -7.211 1.00 11.13 O ATOM 0 H SER A 20 12.042 1.115 -6.416 1.00 6.80 H new ATOM 0 HA SER A 20 11.315 3.875 -5.778 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.250 2.494 -8.363 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.969 4.216 -8.199 1.00 8.57 H new ATOM 0 HG SER A 20 14.253 3.675 -7.987 1.00 11.13 H new ATOM 327 N ASP A 21 9.175 1.735 -6.841 1.00 7.50 N ATOM 328 CA ASP A 21 7.798 1.688 -7.127 1.00 7.70 C ATOM 329 C ASP A 21 7.118 2.665 -6.116 1.00 7.08 C ATOM 330 O ASP A 21 7.483 2.747 -4.951 1.00 8.11 O ATOM 331 CB ASP A 21 7.171 0.214 -7.014 1.00 11.00 C ATOM 332 CG ASP A 21 7.363 -0.487 -8.332 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.968 0.159 -9.327 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.845 -1.632 -8.401 1.00 14.36 O ATOM 0 H ASP A 21 9.556 0.876 -6.444 1.00 7.50 H new ATOM 0 HA ASP A 21 7.626 1.979 -8.163 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.657 -0.344 -6.213 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.111 0.271 -6.766 1.00 11.00 H new ATOM 339 N THR A 22 6.106 3.358 -6.674 1.00 5.37 N ATOM 340 CA THR A 22 5.295 4.336 -6.047 1.00 6.01 C ATOM 341 C THR A 22 4.240 3.633 -5.152 1.00 8.01 C ATOM 342 O THR A 22 3.939 2.438 -5.320 1.00 8.11 O ATOM 343 CB THR A 22 4.617 5.297 -7.070 1.00 8.92 C ATOM 344 OG1 THR A 22 3.957 4.470 -7.975 1.00 10.22 O ATOM 345 CG2 THR A 22 5.708 6.008 -7.851 1.00 9.65 C ATOM 0 H THR A 22 5.841 3.213 -7.648 1.00 5.37 H new ATOM 0 HA THR A 22 5.938 4.961 -5.428 1.00 6.01 H new ATOM 0 HB THR A 22 3.960 6.015 -6.579 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.505 5.018 -8.650 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.255 6.687 -8.574 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.336 6.576 -7.164 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.318 5.273 -8.376 1.00 9.65 H new ATOM 353 N ILE A 23 3.648 4.298 -4.095 1.00 8.32 N ATOM 354 CA ILE A 23 2.418 3.851 -3.455 1.00 9.92 C ATOM 355 C ILE A 23 1.260 3.625 -4.457 1.00 10.01 C ATOM 356 O ILE A 23 0.516 2.661 -4.262 1.00 8.71 O ATOM 357 CB ILE A 23 1.981 4.863 -2.369 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.093 5.205 -1.392 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.787 4.206 -1.633 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.874 4.056 -0.755 1.00 12.30 C ATOM 0 H ILE A 23 4.033 5.151 -3.689 1.00 8.32 H new ATOM 0 HA ILE A 23 2.639 2.886 -2.999 1.00 9.92 H new ATOM 0 HB ILE A 23 1.710 5.812 -2.832 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.807 5.845 -1.911 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.658 5.798 -0.588 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.430 4.874 -0.849 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.018 4.017 -2.343 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.108 3.264 -1.188 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.632 4.459 -0.083 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.191 3.420 -0.192 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.357 3.468 -1.535 1.00 12.30 H new ATOM 372 N GLU A 24 1.157 4.403 -5.540 1.00 9.54 N ATOM 373 CA GLU A 24 0.172 4.235 -6.624 1.00 11.81 C ATOM 374 C GLU A 24 0.370 2.825 -7.284 1.00 11.14 C ATOM 375 O GLU A 24 -0.561 2.112 -7.554 1.00 10.62 O ATOM 376 CB GLU A 24 0.341 5.282 -7.765 1.00 19.24 C ATOM 377 CG GLU A 24 -0.707 5.162 -8.922 1.00 27.76 C ATOM 378 CD GLU A 24 -0.257 5.814 -10.209 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.717 5.405 -10.859 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.987 6.796 -10.613 1.00 34.80 O ATOM 0 H GLU A 24 1.778 5.197 -5.695 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.811 4.357 -6.169 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.275 6.282 -7.335 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.341 5.182 -8.187 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.911 4.108 -9.109 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.645 5.616 -8.602 1.00 27.76 H new ATOM 387 N ASN A 25 1.670 2.428 -7.513 1.00 9.43 N ATOM 388 CA ASN A 25 1.935 1.053 -7.991 1.00 10.96 C ATOM 389 C ASN A 25 1.488 -0.016 -7.012 1.00 9.68 C ATOM 390 O ASN A 25 1.167 -1.139 -7.377 1.00 9.33 O ATOM 391 CB ASN A 25 3.460 0.842 -8.281 1.00 16.78 C ATOM 392 CG ASN A 25 3.735 1.702 -9.516 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.871 2.291 -10.210 1.00 25.66 O ATOM 394 ND2 ASN A 25 5.050 1.963 -9.802 1.00 24.70 N ATOM 0 H ASN A 25 2.495 3.013 -7.379 1.00 9.43 H new ATOM 0 HA ASN A 25 1.352 0.948 -8.906 1.00 10.96 H new ATOM 0 HB2 ASN A 25 4.072 1.154 -7.435 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.687 -0.207 -8.469 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.290 2.612 -10.551 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.789 1.508 -9.265 1.00 24.70 H new ATOM 401 N VAL A 26 1.606 0.254 -5.711 1.00 6.52 N ATOM 402 CA VAL A 26 1.298 -0.790 -4.693 1.00 5.53 C ATOM 403 C VAL A 26 -0.255 -1.000 -4.611 1.00 4.42 C ATOM 404 O VAL A 26 -0.766 -2.127 -4.552 1.00 3.40 O ATOM 405 CB VAL A 26 1.860 -0.402 -3.323 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.436 -1.400 -2.206 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.428 -0.359 -3.372 1.00 8.12 C ATOM 0 H VAL A 26 1.902 1.153 -5.331 1.00 6.52 H new ATOM 0 HA VAL A 26 1.772 -1.724 -4.994 1.00 5.53 H new ATOM 0 HB VAL A 26 1.452 0.581 -3.086 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.860 -1.081 -1.254 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.349 -1.421 -2.131 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.802 -2.397 -2.451 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.815 -0.082 -2.392 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.810 -1.341 -3.649 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.749 0.376 -4.110 1.00 8.12 H new ATOM 417 N LYS A 27 -1.073 0.103 -4.688 1.00 2.64 N ATOM 418 CA LYS A 27 -2.576 0.139 -4.746 1.00 4.14 C ATOM 419 C LYS A 27 -3.123 -0.615 -5.983 1.00 5.58 C ATOM 420 O LYS A 27 -4.138 -1.268 -5.890 1.00 4.11 O ATOM 421 CB LYS A 27 -3.199 1.513 -4.541 1.00 3.97 C ATOM 422 CG LYS A 27 -2.919 2.188 -3.246 1.00 7.45 C ATOM 423 CD LYS A 27 -3.651 3.565 -3.219 1.00 9.02 C ATOM 424 CE LYS A 27 -3.076 4.411 -2.045 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.689 5.735 -1.870 1.00 15.47 N ATOM 0 H LYS A 27 -0.678 1.043 -4.713 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.909 -0.412 -3.866 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.857 2.165 -5.345 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.279 1.416 -4.647 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.257 1.566 -2.417 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.846 2.330 -3.121 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.510 4.087 -4.166 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.724 3.421 -3.091 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.195 3.848 -1.120 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.005 4.542 -2.203 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.107 6.304 -1.223 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.751 6.213 -2.791 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.644 5.626 -1.472 1.00 15.47 H new ATOM 439 N ALA A 28 -2.455 -0.467 -7.134 1.00 6.61 N ATOM 440 CA ALA A 28 -2.686 -1.156 -8.361 1.00 7.74 C ATOM 441 C ALA A 28 -2.543 -2.709 -8.238 1.00 9.17 C ATOM 442 O ALA A 28 -3.299 -3.418 -8.866 1.00 11.45 O ATOM 443 CB ALA A 28 -1.605 -0.578 -9.316 1.00 7.68 C ATOM 0 H ALA A 28 -1.683 0.195 -7.213 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.708 -1.008 -8.710 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.697 -1.047 -10.296 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.744 0.499 -9.414 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.614 -0.780 -8.909 1.00 7.68 H new ATOM 449 N LYS A 29 -1.606 -3.225 -7.453 1.00 8.96 N ATOM 450 CA LYS A 29 -1.437 -4.674 -7.156 1.00 7.90 C ATOM 451 C LYS A 29 -2.526 -5.238 -6.242 1.00 6.92 C ATOM 452 O LYS A 29 -3.113 -6.291 -6.484 1.00 6.87 O ATOM 453 CB LYS A 29 -0.077 -4.939 -6.428 1.00 10.28 C ATOM 454 CG LYS A 29 1.109 -4.635 -7.308 1.00 14.94 C ATOM 455 CD LYS A 29 2.527 -4.760 -6.766 1.00 19.69 C ATOM 456 CE LYS A 29 3.506 -3.926 -7.470 1.00 22.63 C ATOM 457 NZ LYS A 29 3.841 -4.534 -8.760 1.00 24.98 N ATOM 0 H LYS A 29 -0.913 -2.643 -6.983 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.486 -5.164 -8.128 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.024 -4.328 -5.527 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.034 -5.981 -6.110 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.039 -5.287 -8.179 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.990 -3.612 -7.665 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.527 -4.491 -5.710 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.839 -5.802 -6.829 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.101 -2.926 -7.623 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.406 -3.816 -6.865 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.153 -3.795 -9.422 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.605 -5.227 -8.629 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.002 -5.013 -9.146 1.00 24.98 H new ATOM 471 N ILE A 30 -2.849 -4.402 -5.270 1.00 4.57 N ATOM 472 CA ILE A 30 -3.931 -4.651 -4.311 1.00 5.58 C ATOM 473 C ILE A 30 -5.274 -4.786 -4.986 1.00 7.26 C ATOM 474 O ILE A 30 -5.989 -5.792 -4.738 1.00 9.46 O ATOM 475 CB ILE A 30 -3.870 -3.676 -3.134 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.564 -3.784 -2.391 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.079 -3.934 -2.172 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.328 -2.505 -1.528 1.00 2.00 C ATOM 0 H ILE A 30 -2.365 -3.517 -5.116 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.777 -5.631 -3.859 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.934 -2.661 -3.526 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.573 -4.667 -1.751 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.744 -3.911 -3.098 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.033 -3.238 -1.335 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.013 -3.788 -2.714 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.034 -4.956 -1.797 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.381 -2.595 -0.996 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.298 -1.629 -2.176 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.140 -2.397 -0.809 1.00 2.00 H new ATOM 490 N GLN A 31 -5.674 -3.901 -5.966 1.00 7.06 N ATOM 491 CA GLN A 31 -6.731 -4.033 -6.942 1.00 8.67 C ATOM 492 C GLN A 31 -6.732 -5.262 -7.740 1.00 10.90 C ATOM 493 O GLN A 31 -7.789 -5.801 -7.873 1.00 9.63 O ATOM 494 CB GLN A 31 -6.537 -2.842 -7.905 1.00 9.12 C ATOM 495 CG GLN A 31 -7.783 -2.450 -8.746 1.00 10.76 C ATOM 496 CD GLN A 31 -7.368 -1.560 -9.924 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.199 -1.221 -10.148 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.349 -1.219 -10.851 1.00 14.76 N ATOM 0 H GLN A 31 -5.196 -3.006 -6.070 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.676 -4.060 -6.399 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.226 -1.974 -7.323 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.720 -3.078 -8.587 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.278 -3.348 -9.116 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.503 -1.924 -8.119 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.320 -1.487 -10.688 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.097 -0.701 -11.693 1.00 14.76 H new ATOM 507 N ASP A 32 -5.612 -5.795 -8.248 1.00 10.93 N ATOM 508 CA ASP A 32 -5.531 -7.126 -8.895 1.00 14.01 C ATOM 509 C ASP A 32 -5.752 -8.266 -7.974 1.00 14.04 C ATOM 510 O ASP A 32 -6.421 -9.252 -8.302 1.00 13.39 O ATOM 511 CB ASP A 32 -4.161 -7.174 -9.661 1.00 18.01 C ATOM 512 CG ASP A 32 -4.172 -6.221 -10.790 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.216 -6.111 -11.493 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.128 -5.499 -11.058 1.00 26.29 O ATOM 0 H ASP A 32 -4.716 -5.309 -8.224 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.355 -7.247 -9.598 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.346 -6.931 -8.979 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.978 -8.183 -10.030 1.00 18.01 H new ATOM 519 N LYS A 33 -5.086 -8.275 -6.794 1.00 14.22 N ATOM 520 CA LYS A 33 -5.301 -9.313 -5.846 1.00 14.00 C ATOM 521 C LYS A 33 -6.649 -9.306 -5.173 1.00 12.37 C ATOM 522 O LYS A 33 -7.307 -10.338 -5.086 1.00 12.17 O ATOM 523 CB LYS A 33 -4.153 -9.255 -4.763 1.00 18.62 C ATOM 524 CG LYS A 33 -2.771 -9.703 -5.303 1.00 24.00 C ATOM 525 CD LYS A 33 -2.127 -10.888 -4.507 1.00 27.61 C ATOM 526 CE LYS A 33 -0.698 -11.210 -5.027 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.173 -12.492 -4.446 1.00 30.06 N ATOM 0 H LYS A 33 -4.409 -7.568 -6.509 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.281 -10.246 -6.409 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.073 -8.236 -4.384 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.428 -9.889 -3.920 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.879 -9.997 -6.347 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.091 -8.852 -5.280 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.082 -10.635 -3.448 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.757 -11.773 -4.597 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.714 -11.283 -6.114 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.025 -10.392 -4.772 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.629 -12.285 -3.817 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.926 -12.962 -3.904 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.142 -13.118 -5.214 1.00 30.06 H new ATOM 541 N GLU A 34 -7.109 -8.180 -4.699 1.00 10.11 N ATOM 542 CA GLU A 34 -8.339 -8.064 -3.941 1.00 10.07 C ATOM 543 C GLU A 34 -9.501 -7.311 -4.605 1.00 9.32 C ATOM 544 O GLU A 34 -10.553 -7.232 -3.959 1.00 11.61 O ATOM 545 CB GLU A 34 -7.954 -7.522 -2.550 1.00 14.77 C ATOM 546 CG GLU A 34 -7.268 -8.556 -1.570 1.00 18.75 C ATOM 547 CD GLU A 34 -8.195 -9.643 -1.097 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.230 -9.273 -0.478 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.896 -10.839 -1.349 1.00 25.19 O ATOM 0 H GLU A 34 -6.630 -7.289 -4.830 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.784 -9.057 -3.872 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.279 -6.677 -2.685 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.854 -7.138 -2.070 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.415 -9.011 -2.074 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.878 -8.020 -0.705 1.00 18.75 H new ATOM 556 N GLY A 35 -9.371 -6.604 -5.780 1.00 7.22 N ATOM 557 CA GLY A 35 -10.456 -5.847 -6.426 1.00 6.29 C ATOM 558 C GLY A 35 -10.809 -4.525 -5.813 1.00 6.93 C ATOM 559 O GLY A 35 -11.817 -3.980 -6.226 1.00 7.41 O ATOM 0 H GLY A 35 -8.492 -6.556 -6.294 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.180 -5.677 -7.467 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.350 -6.470 -6.431 1.00 6.29 H new ATOM 563 N ILE A 36 -10.028 -3.968 -4.872 1.00 5.86 N ATOM 564 CA ILE A 36 -10.346 -2.681 -4.265 1.00 6.07 C ATOM 565 C ILE A 36 -9.895 -1.529 -5.170 1.00 6.36 C ATOM 566 O ILE A 36 -8.728 -1.580 -5.561 1.00 6.18 O ATOM 567 CB ILE A 36 -9.710 -2.458 -2.855 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.907 -3.713 -1.957 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.249 -1.129 -2.259 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.895 -3.884 -0.743 1.00 9.49 C ATOM 0 H ILE A 36 -9.172 -4.396 -4.520 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.429 -2.695 -4.142 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.628 -2.343 -2.927 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.920 -3.689 -1.556 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.835 -4.599 -2.588 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.809 -0.967 -1.275 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.983 -0.301 -2.916 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.334 -1.185 -2.167 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.136 -4.794 -0.194 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.876 -3.949 -1.125 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.978 -3.026 -0.076 1.00 9.49 H new ATOM 582 N PRO A 37 -10.774 -0.560 -5.611 1.00 8.65 N ATOM 583 CA PRO A 37 -10.279 0.445 -6.542 1.00 9.18 C ATOM 584 C PRO A 37 -9.193 1.341 -5.899 1.00 9.85 C ATOM 585 O PRO A 37 -9.396 1.683 -4.719 1.00 8.51 O ATOM 586 CB PRO A 37 -11.498 1.293 -6.887 1.00 11.42 C ATOM 587 CG PRO A 37 -12.641 0.832 -5.958 1.00 9.27 C ATOM 588 CD PRO A 37 -12.228 -0.516 -5.379 1.00 8.33 C ATOM 0 HA PRO A 37 -9.819 -0.023 -7.412 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.285 2.352 -6.742 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.775 1.164 -7.933 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.808 1.558 -5.163 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.576 0.744 -6.511 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.467 -0.587 -4.318 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.739 -1.340 -5.877 1.00 8.33 H new ATOM 596 N PRO A 38 -8.072 1.815 -6.490 1.00 8.71 N ATOM 597 CA PRO A 38 -7.066 2.538 -5.859 1.00 9.08 C ATOM 598 C PRO A 38 -7.490 3.799 -5.206 1.00 9.28 C ATOM 599 O PRO A 38 -6.855 4.077 -4.206 1.00 6.50 O ATOM 600 CB PRO A 38 -6.001 2.770 -6.936 1.00 10.31 C ATOM 601 CG PRO A 38 -6.075 1.557 -7.801 1.00 10.81 C ATOM 602 CD PRO A 38 -7.565 1.210 -7.756 1.00 12.00 C ATOM 0 HA PRO A 38 -6.693 1.966 -5.010 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.204 3.677 -7.506 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.010 2.884 -6.496 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.736 1.761 -8.817 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.457 0.746 -7.416 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.089 1.614 -8.622 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.718 0.131 -7.765 1.00 12.00 H new ATOM 610 N ASP A 39 -8.598 4.460 -5.659 1.00 11.20 N ATOM 611 CA ASP A 39 -9.204 5.623 -5.036 1.00 14.96 C ATOM 612 C ASP A 39 -9.886 5.370 -3.697 1.00 13.99 C ATOM 613 O ASP A 39 -10.194 6.299 -2.956 1.00 13.75 O ATOM 614 CB ASP A 39 -10.244 6.285 -6.000 1.00 24.16 C ATOM 615 CG ASP A 39 -9.430 6.942 -7.099 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.619 7.856 -6.810 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.661 6.625 -8.245 1.00 35.55 O ATOM 0 H ASP A 39 -9.093 4.166 -6.501 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.361 6.283 -4.834 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.926 5.540 -6.411 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.854 7.019 -5.473 1.00 24.16 H new ATOM 622 N GLN A 40 -10.100 4.103 -3.329 1.00 11.60 N ATOM 623 CA GLN A 40 -10.749 3.764 -2.042 1.00 10.76 C ATOM 624 C GLN A 40 -9.762 3.176 -1.062 1.00 8.01 C ATOM 625 O GLN A 40 -10.067 2.831 0.089 1.00 8.96 O ATOM 626 CB GLN A 40 -11.951 2.907 -2.331 1.00 11.14 C ATOM 627 CG GLN A 40 -13.065 2.875 -1.238 1.00 14.85 C ATOM 628 CD GLN A 40 -13.984 1.667 -1.518 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.031 0.680 -0.774 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.731 1.764 -2.665 1.00 18.16 N ATOM 0 H GLN A 40 -9.838 3.295 -3.894 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.108 4.660 -1.536 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.398 3.251 -3.264 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.609 1.886 -2.499 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.621 2.793 -0.246 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.640 3.801 -1.254 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.661 2.597 -3.250 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.356 1.003 -2.933 1.00 18.16 H new ATOM 639 N GLN A 41 -8.448 3.138 -1.384 1.00 6.52 N ATOM 640 CA GLN A 41 -7.408 2.514 -0.566 1.00 3.87 C ATOM 641 C GLN A 41 -6.511 3.610 0.015 1.00 4.79 C ATOM 642 O GLN A 41 -5.971 4.507 -0.693 1.00 6.34 O ATOM 643 CB GLN A 41 -6.473 1.585 -1.350 1.00 4.20 C ATOM 644 CG GLN A 41 -7.119 0.319 -1.974 1.00 3.20 C ATOM 645 CD GLN A 41 -6.064 -0.495 -2.812 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.949 -0.637 -2.326 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.429 -0.847 -4.090 1.00 7.13 N ATOM 0 H GLN A 41 -8.084 3.553 -2.242 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.936 1.929 0.187 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.011 2.162 -2.151 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.671 1.266 -0.684 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.528 -0.312 -1.185 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.952 0.609 -2.614 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.385 -0.690 -4.409 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.744 -1.265 -4.719 1.00 7.13 H new ATOM 656 N ARG A 42 -6.223 3.575 1.320 1.00 5.73 N ATOM 657 CA ARG A 42 -5.172 4.416 1.940 1.00 6.97 C ATOM 658 C ARG A 42 -4.288 3.468 2.665 1.00 7.15 C ATOM 659 O ARG A 42 -4.705 2.500 3.310 1.00 7.33 O ATOM 660 CB ARG A 42 -5.763 5.535 2.882 1.00 13.23 C ATOM 661 CG ARG A 42 -6.494 6.695 2.161 1.00 21.27 C ATOM 662 CD ARG A 42 -7.481 7.472 2.998 1.00 26.14 C ATOM 663 NE ARG A 42 -8.320 8.249 1.974 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.390 8.931 2.304 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.976 8.801 3.430 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.814 9.907 1.486 1.00 36.39 N ATOM 0 H ARG A 42 -6.706 2.967 1.982 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.620 4.977 1.186 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.458 5.068 3.580 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.950 5.954 3.475 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.745 7.389 1.779 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.020 6.287 1.298 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.102 6.808 3.599 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.973 8.145 3.689 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.033 8.234 0.995 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.614 8.143 4.120 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.806 9.355 3.640 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.306 10.107 0.625 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.644 10.448 1.726 1.00 36.39 H new ATOM 680 N LEU A 43 -2.982 3.614 2.435 1.00 4.65 N ATOM 681 CA LEU A 43 -1.965 2.722 2.952 1.00 3.51 C ATOM 682 C LEU A 43 -1.201 3.414 4.025 1.00 5.56 C ATOM 683 O LEU A 43 -0.971 4.614 4.008 1.00 4.19 O ATOM 684 CB LEU A 43 -1.063 2.123 1.778 1.00 3.74 C ATOM 685 CG LEU A 43 -1.706 0.971 0.950 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.071 0.843 -0.416 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.694 -0.348 1.700 1.00 6.41 C ATOM 0 H LEU A 43 -2.603 4.375 1.871 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.430 1.849 3.411 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.802 2.933 1.097 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.132 1.758 2.211 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.752 1.238 0.798 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.546 0.029 -0.963 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.201 1.775 -0.966 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.007 0.633 -0.305 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.152 -1.121 1.084 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.665 -0.628 1.928 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.256 -0.244 2.628 1.00 6.41 H new ATOM 699 N ILE A 44 -0.781 2.559 5.023 1.00 4.58 N ATOM 700 CA ILE A 44 -0.130 3.046 6.250 1.00 5.55 C ATOM 701 C ILE A 44 1.137 2.320 6.545 1.00 5.46 C ATOM 702 O ILE A 44 1.168 1.129 6.387 1.00 6.04 O ATOM 703 CB ILE A 44 -1.120 3.029 7.460 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.312 3.947 7.105 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.368 3.473 8.769 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.322 4.133 8.230 1.00 13.90 C ATOM 0 H ILE A 44 -0.890 1.546 4.982 1.00 4.58 H new ATOM 0 HA ILE A 44 0.152 4.085 6.077 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.504 2.027 7.654 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.927 4.924 6.814 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.826 3.535 6.237 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.062 3.460 9.610 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.455 2.786 8.967 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.025 4.481 8.639 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.124 4.791 7.894 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.739 3.165 8.508 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.827 4.576 9.094 1.00 13.90 H new ATOM 718 N PHE A 45 2.196 3.092 6.935 1.00 6.75 N ATOM 719 CA PHE A 45 3.490 2.484 7.345 1.00 4.70 C ATOM 720 C PHE A 45 3.948 3.179 8.599 1.00 6.34 C ATOM 721 O PHE A 45 4.030 4.419 8.677 1.00 5.45 O ATOM 722 CB PHE A 45 4.558 2.521 6.234 1.00 5.51 C ATOM 723 CG PHE A 45 5.779 1.719 6.579 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.716 0.354 6.502 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.943 2.355 7.053 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.769 -0.509 6.958 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.024 1.506 7.404 1.00 6.64 C ATOM 728 CZ PHE A 45 7.918 0.104 7.443 1.00 6.84 C ATOM 0 H PHE A 45 2.177 4.111 6.972 1.00 6.75 H new ATOM 0 HA PHE A 45 3.339 1.422 7.539 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.127 2.140 5.308 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.848 3.555 6.048 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.831 -0.096 6.077 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.009 3.429 7.144 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.673 -1.584 6.926 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.973 1.957 7.653 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.723 -0.492 7.847 1.00 6.84 H new ATOM 738 N ALA A 46 4.149 2.400 9.650 1.00 6.53 N ATOM 739 CA ALA A 46 4.628 2.880 10.901 1.00 7.15 C ATOM 740 C ALA A 46 3.963 4.085 11.441 1.00 9.00 C ATOM 741 O ALA A 46 4.615 4.968 11.953 1.00 11.15 O ATOM 742 CB ALA A 46 6.158 3.067 10.944 1.00 8.99 C ATOM 0 H ALA A 46 3.974 1.395 9.639 1.00 6.53 H new ATOM 0 HA ALA A 46 4.347 2.062 11.565 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.452 3.435 11.927 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.647 2.112 10.753 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.458 3.787 10.182 1.00 8.99 H new ATOM 748 N GLY A 47 2.613 4.102 11.390 1.00 9.35 N ATOM 749 CA GLY A 47 1.735 5.188 11.835 1.00 11.68 C ATOM 750 C GLY A 47 1.560 6.394 10.900 1.00 11.14 C ATOM 751 O GLY A 47 0.886 7.336 11.317 1.00 13.93 O ATOM 0 H GLY A 47 2.086 3.313 11.016 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.748 4.765 12.025 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.113 5.555 12.789 1.00 11.68 H new ATOM 755 N LYS A 48 2.164 6.373 9.694 1.00 10.47 N ATOM 756 CA LYS A 48 2.066 7.483 8.730 1.00 8.82 C ATOM 757 C LYS A 48 1.348 7.055 7.531 1.00 7.68 C ATOM 758 O LYS A 48 1.514 5.948 7.092 1.00 6.47 O ATOM 759 CB LYS A 48 3.514 8.028 8.454 1.00 9.74 C ATOM 760 CG LYS A 48 3.523 9.269 7.430 1.00 14.14 C ATOM 761 CD LYS A 48 4.968 9.806 7.255 1.00 16.32 C ATOM 762 CE LYS A 48 5.098 11.236 6.739 1.00 20.04 C ATOM 763 NZ LYS A 48 6.574 11.589 6.534 1.00 23.92 N ATOM 0 H LYS A 48 2.729 5.591 9.365 1.00 10.47 H new ATOM 0 HA LYS A 48 1.480 8.309 9.133 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.968 8.336 9.396 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.130 7.224 8.051 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.123 8.957 6.465 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.875 10.062 7.802 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.476 9.742 8.217 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.498 9.145 6.570 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.557 11.342 5.799 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.645 11.929 7.448 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.652 12.565 6.183 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.080 11.505 7.439 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.994 10.937 5.841 1.00 23.92 H new ATOM 777 N GLN A 49 0.474 7.930 6.987 1.00 8.89 N ATOM 778 CA GLN A 49 -0.403 7.562 5.894 1.00 7.18 C ATOM 779 C GLN A 49 0.370 7.945 4.613 1.00 8.23 C ATOM 780 O GLN A 49 0.829 9.101 4.531 1.00 9.70 O ATOM 781 CB GLN A 49 -1.761 8.166 6.144 1.00 11.67 C ATOM 782 CG GLN A 49 -2.925 7.540 5.327 1.00 15.82 C ATOM 783 CD GLN A 49 -4.282 8.035 5.884 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.875 7.395 6.717 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.705 9.285 5.527 1.00 20.67 N ATOM 0 H GLN A 49 0.370 8.895 7.300 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.643 6.504 5.788 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.992 8.073 7.205 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.714 9.232 5.920 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.832 7.813 4.276 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.875 6.452 5.380 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.193 9.814 4.821 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.532 9.688 5.967 1.00 20.67 H new ATOM 794 N LEU A 50 0.421 7.046 3.629 1.00 6.51 N ATOM 795 CA LEU A 50 1.327 7.242 2.499 1.00 7.41 C ATOM 796 C LEU A 50 0.678 7.717 1.236 1.00 8.27 C ATOM 797 O LEU A 50 -0.369 7.132 0.831 1.00 8.34 O ATOM 798 CB LEU A 50 2.079 5.968 2.193 1.00 7.13 C ATOM 799 CG LEU A 50 2.430 5.147 3.435 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.919 3.766 3.029 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.577 5.797 4.239 1.00 9.11 C ATOM 0 H LEU A 50 -0.140 6.195 3.591 1.00 6.51 H new ATOM 0 HA LEU A 50 1.996 8.037 2.828 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.479 5.355 1.521 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.998 6.218 1.662 1.00 7.13 H new ATOM 0 HG LEU A 50 1.525 5.094 4.040 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.166 3.191 3.921 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.136 3.252 2.471 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.806 3.864 2.403 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.799 5.186 5.114 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.466 5.869 3.612 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.277 6.795 4.559 1.00 9.11 H new ATOM 813 N GLU A 51 1.257 8.687 0.565 1.00 9.43 N ATOM 814 CA GLU A 51 0.629 9.239 -0.577 1.00 11.90 C ATOM 815 C GLU A 51 0.957 8.593 -1.916 1.00 11.49 C ATOM 816 O GLU A 51 2.067 8.107 -2.048 1.00 9.88 O ATOM 817 CB GLU A 51 1.062 10.749 -0.750 1.00 16.56 C ATOM 818 CG GLU A 51 0.588 11.550 0.520 1.00 26.06 C ATOM 819 CD GLU A 51 -0.873 11.817 0.738 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.633 11.899 -0.242 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.256 12.077 1.940 1.00 32.13 O ATOM 0 H GLU A 51 2.160 9.098 0.803 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.429 9.079 -0.370 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.144 10.823 -0.863 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.618 11.170 -1.652 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.954 11.014 1.396 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.095 12.515 0.502 1.00 26.06 H new ATOM 828 N ASP A 52 -0.022 8.575 -2.890 1.00 12.71 N ATOM 829 CA ASP A 52 0.067 7.773 -4.083 1.00 16.56 C ATOM 830 C ASP A 52 1.322 7.942 -4.910 1.00 15.83 C ATOM 831 O ASP A 52 1.924 7.012 -5.380 1.00 17.21 O ATOM 832 CB ASP A 52 -1.171 7.988 -4.972 1.00 21.05 C ATOM 833 CG ASP A 52 -2.450 7.898 -4.198 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.773 8.927 -3.462 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.119 6.866 -4.256 1.00 28.37 O ATOM 0 H ASP A 52 -0.877 9.129 -2.832 1.00 12.71 H new ATOM 0 HA ASP A 52 0.113 6.750 -3.708 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.107 8.965 -5.450 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.178 7.243 -5.768 1.00 21.05 H new ATOM 840 N GLY A 53 1.872 9.211 -5.151 1.00 15.00 N ATOM 841 CA GLY A 53 3.025 9.418 -5.977 1.00 11.77 C ATOM 842 C GLY A 53 4.403 9.195 -5.389 1.00 11.10 C ATOM 843 O GLY A 53 5.447 9.093 -6.115 1.00 11.25 O ATOM 0 H GLY A 53 1.490 10.070 -4.756 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.929 8.765 -6.845 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.986 10.444 -6.344 1.00 11.77 H new ATOM 847 N ARG A 54 4.482 9.010 -4.085 1.00 8.53 N ATOM 848 CA ARG A 54 5.769 8.839 -3.412 1.00 9.05 C ATOM 849 C ARG A 54 6.182 7.400 -3.515 1.00 8.96 C ATOM 850 O ARG A 54 5.357 6.524 -3.747 1.00 11.60 O ATOM 851 CB ARG A 54 5.555 9.243 -1.899 1.00 7.97 C ATOM 852 CG ARG A 54 5.359 10.697 -1.717 1.00 9.62 C ATOM 853 CD ARG A 54 6.585 11.546 -2.072 1.00 12.20 C ATOM 854 NE ARG A 54 6.228 13.018 -1.917 1.00 18.23 N ATOM 855 CZ ARG A 54 6.826 14.054 -2.467 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.072 13.943 -2.929 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.206 15.239 -2.534 1.00 23.38 N ATOM 0 H ARG A 54 3.673 8.973 -3.465 1.00 8.53 H new ATOM 0 HA ARG A 54 6.547 9.455 -3.862 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.689 8.712 -1.505 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.418 8.921 -1.316 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.518 11.019 -2.332 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.087 10.888 -0.679 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.421 11.291 -1.421 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.902 11.341 -3.094 1.00 12.20 H new ATOM 0 HE ARG A 54 5.431 13.226 -1.316 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.565 13.053 -2.857 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.532 14.748 -3.354 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.264 15.344 -2.157 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.676 16.037 -2.962 1.00 23.38 H new ATOM 871 N THR A 55 7.507 7.227 -3.414 1.00 9.05 N ATOM 872 CA THR A 55 8.096 5.930 -3.476 1.00 9.03 C ATOM 873 C THR A 55 8.201 5.247 -2.082 1.00 8.15 C ATOM 874 O THR A 55 7.919 5.809 -1.017 1.00 5.91 O ATOM 875 CB THR A 55 9.397 5.819 -4.261 1.00 11.15 C ATOM 876 OG1 THR A 55 10.429 6.481 -3.528 1.00 11.95 O ATOM 877 CG2 THR A 55 9.197 6.455 -5.653 1.00 11.71 C ATOM 0 H THR A 55 8.174 7.988 -3.289 1.00 9.05 H new ATOM 0 HA THR A 55 7.379 5.369 -4.075 1.00 9.03 H new ATOM 0 HB THR A 55 9.684 4.777 -4.400 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.148 5.846 -3.329 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.123 6.381 -6.223 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.402 5.930 -6.182 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.925 7.504 -5.538 1.00 11.71 H new ATOM 885 N LEU A 56 8.467 3.880 -2.120 1.00 6.91 N ATOM 886 CA LEU A 56 8.629 3.069 -0.959 1.00 8.29 C ATOM 887 C LEU A 56 9.912 3.381 -0.217 1.00 8.05 C ATOM 888 O LEU A 56 10.029 3.420 1.007 1.00 10.17 O ATOM 889 CB LEU A 56 8.614 1.543 -1.346 1.00 6.60 C ATOM 890 CG LEU A 56 7.260 1.089 -1.911 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.283 -0.341 -2.530 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.177 1.092 -0.817 1.00 8.64 C ATOM 0 H LEU A 56 8.565 3.361 -2.992 1.00 6.91 H new ATOM 0 HA LEU A 56 7.791 3.294 -0.299 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.394 1.352 -2.083 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.854 0.947 -0.466 1.00 6.60 H new ATOM 0 HG LEU A 56 7.037 1.807 -2.700 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.291 -0.590 -2.907 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.001 -0.371 -3.349 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.573 -1.063 -1.767 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.228 0.767 -1.243 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.467 0.412 -0.016 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.068 2.100 -0.416 1.00 8.64 H new ATOM 904 N SER A 57 10.989 3.717 -0.955 1.00 8.92 N ATOM 905 CA SER A 57 12.239 4.122 -0.380 1.00 9.00 C ATOM 906 C SER A 57 12.195 5.314 0.506 1.00 9.44 C ATOM 907 O SER A 57 12.877 5.404 1.512 1.00 10.91 O ATOM 908 CB SER A 57 13.308 4.248 -1.463 1.00 10.32 C ATOM 909 OG SER A 57 12.839 5.039 -2.621 1.00 13.59 O ATOM 0 H SER A 57 10.991 3.707 -1.975 1.00 8.92 H new ATOM 0 HA SER A 57 12.507 3.318 0.306 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.197 4.717 -1.041 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.601 3.253 -1.799 1.00 10.32 H new ATOM 0 HG SER A 57 13.554 5.096 -3.289 1.00 13.59 H new ATOM 915 N ASP A 58 11.402 6.300 0.071 1.00 9.11 N ATOM 916 CA ASP A 58 11.182 7.621 0.625 1.00 7.91 C ATOM 917 C ASP A 58 10.332 7.532 1.856 1.00 9.12 C ATOM 918 O ASP A 58 10.313 8.475 2.620 1.00 8.61 O ATOM 919 CB ASP A 58 10.538 8.543 -0.482 1.00 8.41 C ATOM 920 CG ASP A 58 10.692 10.047 -0.255 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.867 10.479 -0.182 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.703 10.846 -0.269 1.00 10.05 O ATOM 0 H ASP A 58 10.842 6.166 -0.771 1.00 9.11 H new ATOM 0 HA ASP A 58 12.130 8.066 0.927 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.983 8.291 -1.445 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.475 8.310 -0.551 1.00 8.41 H new ATOM 927 N TYR A 59 9.637 6.365 2.078 1.00 7.97 N ATOM 928 CA TYR A 59 8.881 6.133 3.301 1.00 8.45 C ATOM 929 C TYR A 59 9.569 5.126 4.185 1.00 10.98 C ATOM 930 O TYR A 59 9.027 4.722 5.246 1.00 12.95 O ATOM 931 CB TYR A 59 7.435 5.614 2.915 1.00 7.94 C ATOM 932 CG TYR A 59 6.607 6.773 2.486 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.228 7.837 3.355 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.877 6.776 1.253 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.353 8.846 3.047 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.951 7.783 0.911 1.00 6.52 C ATOM 937 CZ TYR A 59 4.690 8.832 1.780 1.00 6.76 C ATOM 938 OH TYR A 59 3.777 9.853 1.376 1.00 7.63 O ATOM 0 H TYR A 59 9.602 5.592 1.413 1.00 7.97 H new ATOM 0 HA TYR A 59 8.811 7.068 3.856 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.500 4.879 2.113 1.00 7.94 H new ATOM 0 HB3 TYR A 59 6.973 5.115 3.767 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.668 7.849 4.341 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.044 5.970 0.554 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.166 9.642 3.753 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.439 7.737 -0.039 1.00 6.52 H new ATOM 0 HH TYR A 59 4.237 10.718 1.366 1.00 7.63 H new ATOM 948 N ASN A 60 10.761 4.734 3.783 1.00 12.38 N ATOM 949 CA ASN A 60 11.664 3.963 4.621 1.00 13.94 C ATOM 950 C ASN A 60 11.282 2.474 4.696 1.00 14.16 C ATOM 951 O ASN A 60 11.595 1.738 5.645 1.00 14.26 O ATOM 952 CB ASN A 60 12.063 4.457 6.024 1.00 19.23 C ATOM 953 CG ASN A 60 12.437 5.908 5.923 1.00 22.65 C ATOM 954 OD1 ASN A 60 11.551 6.769 5.974 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.732 6.246 5.675 1.00 24.09 N ATOM 0 H ASN A 60 11.136 4.942 2.858 1.00 12.38 H new ATOM 0 HA ASN A 60 12.575 4.136 4.049 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.237 4.325 6.722 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.901 3.875 6.408 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.985 7.223 5.528 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.450 5.522 5.637 1.00 24.09 H new ATOM 962 N ILE A 61 10.577 1.952 3.604 1.00 11.08 N ATOM 963 CA ILE A 61 10.027 0.588 3.487 1.00 11.78 C ATOM 964 C ILE A 61 11.162 -0.256 2.930 1.00 13.74 C ATOM 965 O ILE A 61 12.074 0.255 2.273 1.00 14.60 O ATOM 966 CB ILE A 61 8.743 0.669 2.686 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.538 1.385 3.456 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.346 -0.743 2.226 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.377 1.709 2.557 1.00 11.42 C ATOM 0 H ILE A 61 10.389 2.514 2.774 1.00 11.08 H new ATOM 0 HA ILE A 61 9.717 0.107 4.415 1.00 11.78 H new ATOM 0 HB ILE A 61 8.943 1.305 1.824 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.195 0.739 4.264 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.902 2.304 3.915 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.423 -0.692 1.649 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.139 -1.160 1.605 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.194 -1.380 3.097 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.592 2.193 3.137 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.707 2.379 1.763 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.989 0.790 2.118 1.00 11.42 H new ATOM 981 N GLN A 62 11.282 -1.538 3.132 1.00 13.97 N ATOM 982 CA GLN A 62 12.386 -2.313 2.719 1.00 15.52 C ATOM 983 C GLN A 62 11.867 -3.744 2.451 1.00 13.94 C ATOM 984 O GLN A 62 10.636 -3.881 2.304 1.00 12.15 O ATOM 985 CB GLN A 62 13.637 -2.345 3.646 1.00 19.53 C ATOM 986 CG GLN A 62 14.213 -0.998 3.979 1.00 26.38 C ATOM 987 CD GLN A 62 15.544 -0.960 4.659 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.801 -0.427 5.728 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.602 -1.567 3.973 1.00 32.71 N ATOM 0 H GLN A 62 10.569 -2.085 3.615 1.00 13.97 H new ATOM 0 HA GLN A 62 12.778 -1.819 1.830 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.370 -2.849 4.575 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.410 -2.946 3.168 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.293 -0.429 3.053 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.497 -0.475 4.613 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.433 -2.024 3.077 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.542 -1.552 4.369 1.00 32.71 H new ATOM 998 N LYS A 63 12.736 -4.798 2.126 1.00 11.73 N ATOM 999 CA LYS A 63 12.163 -6.145 1.896 1.00 11.97 C ATOM 1000 C LYS A 63 11.551 -6.701 3.129 1.00 10.41 C ATOM 1001 O LYS A 63 12.020 -6.535 4.296 1.00 9.59 O ATOM 1002 CB LYS A 63 13.183 -7.197 1.329 1.00 13.73 C ATOM 1003 CG LYS A 63 14.189 -7.776 2.376 1.00 16.98 C ATOM 1004 CD LYS A 63 15.253 -8.582 1.632 1.00 20.19 C ATOM 1005 CE LYS A 63 14.841 -9.993 1.280 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.792 -10.874 2.428 1.00 25.97 N ATOM 0 H LYS A 63 13.749 -4.723 2.031 1.00 11.73 H new ATOM 0 HA LYS A 63 11.402 -5.980 1.133 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.623 -8.023 0.891 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.750 -6.732 0.522 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.653 -6.968 2.942 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.667 -8.409 3.093 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.515 -8.054 0.715 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.154 -8.622 2.244 1.00 20.19 H new ATOM 0 HE2 LYS A 63 13.860 -9.971 0.805 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.541 -10.398 0.549 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.859 -11.862 2.110 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.587 -10.660 3.064 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.895 -10.734 2.935 1.00 25.97 H new ATOM 1020 N GLU A 64 10.446 -7.370 2.903 1.00 10.04 N ATOM 1021 CA GLU A 64 9.596 -8.061 3.893 1.00 10.94 C ATOM 1022 C GLU A 64 8.895 -7.067 4.878 1.00 9.74 C ATOM 1023 O GLU A 64 8.434 -7.463 5.930 1.00 9.42 O ATOM 1024 CB GLU A 64 10.315 -9.194 4.618 1.00 18.31 C ATOM 1025 CG GLU A 64 10.914 -10.202 3.583 1.00 24.16 C ATOM 1026 CD GLU A 64 11.796 -11.167 4.345 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.275 -12.111 4.944 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.049 -10.944 4.423 1.00 31.72 O ATOM 0 H GLU A 64 10.074 -7.464 1.958 1.00 10.04 H new ATOM 0 HA GLU A 64 8.802 -8.538 3.318 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.110 -8.789 5.244 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.620 -9.711 5.280 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.118 -10.737 3.065 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.490 -9.674 2.823 1.00 24.16 H new ATOM 1035 N SER A 65 8.775 -5.789 4.505 1.00 6.85 N ATOM 1036 CA SER A 65 8.031 -4.853 5.331 1.00 6.90 C ATOM 1037 C SER A 65 6.521 -5.050 5.184 1.00 4.72 C ATOM 1038 O SER A 65 5.970 -5.270 4.127 1.00 3.91 O ATOM 1039 CB SER A 65 8.461 -3.372 5.057 1.00 7.28 C ATOM 1040 OG SER A 65 9.839 -3.297 5.350 1.00 10.56 O ATOM 0 H SER A 65 9.176 -5.392 3.655 1.00 6.85 H new ATOM 0 HA SER A 65 8.279 -5.067 6.371 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.269 -3.097 4.020 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.893 -2.681 5.680 1.00 7.28 H new ATOM 0 HG SER A 65 10.084 -2.366 5.536 1.00 10.56 H new ATOM 1046 N THR A 66 5.911 -4.913 6.354 1.00 4.48 N ATOM 1047 CA THR A 66 4.491 -5.026 6.591 1.00 3.80 C ATOM 1048 C THR A 66 3.867 -3.700 6.346 1.00 4.60 C ATOM 1049 O THR A 66 3.924 -2.819 7.164 1.00 5.33 O ATOM 1050 CB THR A 66 4.102 -5.458 8.000 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.836 -6.591 8.352 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.581 -5.786 8.063 1.00 3.40 C ATOM 0 H THR A 66 6.430 -4.708 7.208 1.00 4.48 H new ATOM 0 HA THR A 66 4.141 -5.806 5.915 1.00 3.80 H new ATOM 0 HB THR A 66 4.317 -4.646 8.694 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.590 -6.871 9.258 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.317 -6.093 9.075 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.006 -4.901 7.791 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.354 -6.594 7.368 1.00 3.40 H new ATOM 1060 N LEU A 67 3.133 -3.516 5.230 1.00 4.17 N ATOM 1061 CA LEU A 67 2.209 -2.380 5.031 1.00 3.85 C ATOM 1062 C LEU A 67 0.799 -2.651 5.586 1.00 3.80 C ATOM 1063 O LEU A 67 0.459 -3.816 5.868 1.00 5.54 O ATOM 1064 CB LEU A 67 2.012 -1.897 3.562 1.00 7.18 C ATOM 1065 CG LEU A 67 3.153 -1.004 3.004 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.454 -1.760 2.907 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.761 -0.428 1.690 1.00 11.66 C ATOM 0 H LEU A 67 3.165 -4.155 4.436 1.00 4.17 H new ATOM 0 HA LEU A 67 2.725 -1.595 5.584 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.908 -2.771 2.919 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.075 -1.343 3.500 1.00 7.18 H new ATOM 0 HG LEU A 67 3.314 -0.184 3.704 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.228 -1.102 2.513 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.746 -2.111 3.897 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.330 -2.614 2.241 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.570 0.196 1.310 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.563 -1.234 0.984 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.863 0.177 1.811 1.00 11.66 H new ATOM 1079 N HIS A 68 0.048 -1.640 5.946 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.271 -1.795 6.443 1.00 4.17 C ATOM 1081 C HIS A 68 -2.248 -1.026 5.652 1.00 5.32 C ATOM 1082 O HIS A 68 -2.041 0.191 5.390 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.412 -1.350 7.904 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.334 -1.947 8.772 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.909 -1.429 8.939 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.308 -3.142 9.387 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.641 -2.317 9.635 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.948 -3.328 9.988 1.00 16.30 N ATOM 0 H HIS A 68 0.356 -0.669 5.895 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.474 -2.863 6.367 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.364 -0.262 7.960 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.390 -1.646 8.282 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.125 -3.848 9.415 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.688 -2.190 9.867 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.243 -4.105 10.580 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.354 -1.645 5.189 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.425 -1.227 4.319 1.00 3.97 C ATOM 1098 C LEU A 69 -5.646 -0.732 5.045 1.00 5.07 C ATOM 1099 O LEU A 69 -6.229 -1.484 5.838 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.838 -2.389 3.407 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.898 -2.182 2.271 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.597 -0.917 1.466 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.017 -3.480 1.402 1.00 9.96 C ATOM 0 H LEU A 69 -3.521 -2.608 5.480 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.030 -0.388 3.745 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.930 -2.762 2.933 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.211 -3.185 4.052 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.882 -2.017 2.711 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.347 -0.796 0.684 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.620 -0.051 2.127 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.610 -1.001 1.012 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.756 -3.325 0.616 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.050 -3.706 0.952 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.327 -4.313 2.033 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.060 0.549 4.914 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.286 1.093 5.507 1.00 6.26 C ATOM 1117 C VAL A 70 -8.063 1.701 4.312 1.00 9.22 C ATOM 1118 O VAL A 70 -7.629 2.416 3.324 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.114 2.125 6.679 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.401 1.418 7.851 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.484 3.457 6.252 1.00 8.54 C ATOM 0 H VAL A 70 -5.534 1.241 4.380 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.814 0.287 6.017 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.099 2.443 7.021 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.273 2.120 8.675 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.001 0.572 8.185 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.425 1.062 7.522 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.400 4.114 7.118 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.493 3.274 5.837 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.111 3.931 5.497 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.334 1.449 4.332 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.238 1.809 3.310 1.00 16.06 C ATOM 1133 C LEU A 71 -11.172 3.072 3.556 1.00 18.09 C ATOM 1134 O LEU A 71 -11.834 3.286 4.572 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.082 0.628 2.879 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.393 -0.638 2.429 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.394 -1.673 1.735 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.175 -0.389 1.607 1.00 19.57 C ATOM 0 H LEU A 71 -9.783 0.960 5.107 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.564 2.131 2.516 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.735 0.369 3.712 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.723 0.962 2.063 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.040 -1.114 3.344 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.844 -2.564 1.432 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.176 -1.952 2.441 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.846 -1.210 0.858 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.730 -1.341 1.318 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.448 0.170 0.712 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.455 0.186 2.189 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.145 3.948 2.567 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.952 5.174 2.465 1.00 25.83 C ATOM 1152 C ARG A 72 -13.497 5.020 2.717 1.00 27.74 C ATOM 1153 O ARG A 72 -14.173 4.289 1.987 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.658 5.783 1.056 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.376 7.118 0.819 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.880 7.940 -0.376 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.674 9.182 -0.192 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.538 10.306 -0.855 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.501 10.541 -1.642 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -13.358 11.360 -0.703 1.00 35.02 N ATOM 0 H ARG A 72 -10.528 3.826 1.764 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.654 5.832 3.281 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.584 5.930 0.947 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.962 5.072 0.288 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.439 6.918 0.682 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.279 7.726 1.719 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.806 8.124 -0.337 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.085 7.453 -1.329 1.00 34.05 H new ATOM 0 HE ARG A 72 -13.400 9.159 0.524 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.772 9.836 -1.749 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.430 11.428 -2.141 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -14.135 11.311 -0.044 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -13.203 12.209 -1.246 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.067 5.859 3.597 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.531 5.981 3.741 1.00 30.76 C ATOM 1176 C LEU A 73 -16.256 6.415 2.465 1.00 32.18 C ATOM 1177 O LEU A 73 -15.842 7.331 1.806 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.996 7.044 4.876 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.421 6.776 6.235 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.812 7.860 7.278 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.856 5.443 6.777 1.00 29.11 C ATOM 0 H LEU A 73 -13.536 6.466 4.222 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.806 4.963 4.017 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.706 8.046 4.561 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.084 7.034 4.945 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.341 6.788 6.088 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.368 7.614 8.243 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.446 8.832 6.947 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.897 7.895 7.377 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.416 5.290 7.763 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.943 5.420 6.857 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.524 4.651 6.105 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.391 5.784 2.201 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.282 6.048 1.121 1.00 35.33 C ATOM 1195 C ARG A 74 -18.906 7.413 1.178 1.00 36.22 C ATOM 1196 O ARG A 74 -19.022 8.142 0.182 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.390 4.979 1.083 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.003 3.495 0.856 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.468 3.271 -0.584 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.998 1.881 -0.666 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.914 1.174 -1.796 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.973 1.766 -2.960 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.773 -0.150 -1.731 1.00 41.93 N ATOM 0 H ARG A 74 -17.722 5.020 2.790 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.681 6.013 0.212 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.933 5.036 2.027 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.089 5.260 0.296 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.243 3.199 1.580 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.871 2.859 1.028 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.253 3.455 -1.318 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.656 3.964 -0.804 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.716 1.424 0.201 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.084 2.779 -3.012 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.908 1.215 -3.816 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.730 -0.614 -0.824 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.708 -0.699 -2.588 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.268 7.874 2.439 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.721 9.265 2.608 1.00 36.07 C ATOM 1219 C GLY A 75 -18.668 10.332 2.825 1.00 36.16 C ATOM 1220 O GLY A 75 -19.010 11.519 3.031 1.00 36.26 O ATOM 0 H GLY A 75 -19.248 7.316 3.292 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.297 9.539 1.724 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.405 9.293 3.456 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.387 9.952 2.682 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.307 10.865 2.983 1.00 36.19 C ATOM 1226 C GLY A 76 -15.278 10.836 1.779 1.00 36.20 C ATOM 1227 O GLY A 76 -14.164 10.215 1.943 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.579 11.312 0.689 1.00 0.00 O ATOM 0 H GLY A 76 -17.092 9.029 2.364 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.693 11.874 3.128 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.813 10.576 3.911 1.00 36.19 H new TER 1232 GLY A 76