USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 715 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 71 GLN : amide:sc= 0 X(o=-4.9,f=-4.9) USER MOD Set 1.2: A 80 HIS : no HE2:sc= -4.93! C(o=-4.9!,f=-5.2!) USER MOD Set 2.1: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 82 SER OG : rot 180:sc=-0.000137 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0822 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.077 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 83:sc= 0.207 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -28:sc= 0.584 USER MOD Single : A 22 SER OG : rot 100:sc= -0.358 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -117:sc= -0.0473 (180deg=-0.182) USER MOD Single : A 32 SER OG : rot 40:sc= 0.394 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 100:sc= -0.811 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -121:sc= -0.278 USER MOD Single : A 62 ASN : amide:sc= -0.0615 K(o=-0.061,f=-1.2) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS :FLIP no HD1:sc= 0 F(o=-0.58,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.933 -4.138 -12.333 1.00 5.32 N ATOM 2 CA MET A 1 -21.812 -3.714 -13.460 1.00 5.70 C ATOM 3 C MET A 1 -21.893 -4.840 -14.492 1.00 5.89 C ATOM 4 O MET A 1 -21.018 -5.688 -14.561 1.00 6.18 O ATOM 5 CB MET A 1 -21.236 -2.455 -14.120 1.00 6.37 C ATOM 6 CG MET A 1 -22.001 -1.223 -13.630 1.00 6.61 C ATOM 7 SD MET A 1 -21.546 0.215 -14.627 1.00 6.93 S ATOM 8 CE MET A 1 -22.853 1.307 -14.016 1.00 7.50 C ATOM 0 H1 MET A 1 -20.342 -3.336 -12.033 1.00 5.32 H new ATOM 0 H2 MET A 1 -21.520 -4.453 -11.534 1.00 5.32 H new ATOM 0 H3 MET A 1 -20.323 -4.921 -12.644 1.00 5.32 H new ATOM 0 HA MET A 1 -22.809 -3.496 -13.078 1.00 5.70 H new ATOM 0 HB2 MET A 1 -20.177 -2.358 -13.879 1.00 6.37 H new ATOM 0 HB3 MET A 1 -21.310 -2.534 -15.205 1.00 6.37 H new ATOM 0 HG2 MET A 1 -23.075 -1.399 -13.698 1.00 6.61 H new ATOM 0 HG3 MET A 1 -21.774 -1.036 -12.580 1.00 6.61 H new ATOM 0 HE1 MET A 1 -22.772 2.279 -14.502 1.00 7.50 H new ATOM 0 HE2 MET A 1 -23.826 0.870 -14.239 1.00 7.50 H new ATOM 0 HE3 MET A 1 -22.749 1.431 -12.938 1.00 7.50 H new ATOM 20 N SER A 2 -22.944 -4.859 -15.289 1.00 5.89 N ATOM 21 CA SER A 2 -23.100 -5.934 -16.323 1.00 6.12 C ATOM 22 C SER A 2 -23.378 -7.267 -15.609 1.00 5.48 C ATOM 23 O SER A 2 -22.473 -7.925 -15.129 1.00 5.91 O ATOM 24 CB SER A 2 -21.815 -6.019 -17.154 1.00 7.21 C ATOM 25 OG SER A 2 -22.144 -6.160 -18.526 1.00 7.82 O ATOM 0 H SER A 2 -23.699 -4.174 -15.265 1.00 5.89 H new ATOM 0 HA SER A 2 -23.932 -5.709 -16.991 1.00 6.12 H new ATOM 0 HB2 SER A 2 -21.213 -5.123 -17.004 1.00 7.21 H new ATOM 0 HB3 SER A 2 -21.213 -6.866 -16.825 1.00 7.21 H new ATOM 0 HG SER A 2 -21.321 -6.212 -19.056 1.00 7.82 H new ATOM 31 N GLY A 3 -24.636 -7.642 -15.506 1.00 4.69 N ATOM 32 CA GLY A 3 -24.997 -8.902 -14.785 1.00 4.30 C ATOM 33 C GLY A 3 -24.885 -8.622 -13.285 1.00 3.76 C ATOM 34 O GLY A 3 -24.278 -9.371 -12.543 1.00 4.14 O ATOM 0 H GLY A 3 -25.426 -7.126 -15.892 1.00 4.69 H new ATOM 0 HA2 GLY A 3 -26.009 -9.214 -15.042 1.00 4.30 H new ATOM 0 HA3 GLY A 3 -24.330 -9.714 -15.074 1.00 4.30 H new ATOM 38 N GLY A 4 -25.448 -7.518 -12.853 1.00 3.06 N ATOM 39 CA GLY A 4 -25.377 -7.121 -11.418 1.00 2.67 C ATOM 40 C GLY A 4 -24.855 -5.680 -11.348 1.00 2.49 C ATOM 41 O GLY A 4 -23.807 -5.419 -10.785 1.00 2.72 O ATOM 0 H GLY A 4 -25.961 -6.867 -13.448 1.00 3.06 H new ATOM 0 HA2 GLY A 4 -26.361 -7.193 -10.954 1.00 2.67 H new ATOM 0 HA3 GLY A 4 -24.716 -7.792 -10.869 1.00 2.67 H new ATOM 45 N THR A 5 -25.582 -4.749 -11.935 1.00 2.46 N ATOM 46 CA THR A 5 -25.150 -3.310 -11.936 1.00 2.78 C ATOM 47 C THR A 5 -24.870 -2.847 -10.494 1.00 2.44 C ATOM 48 O THR A 5 -25.773 -2.732 -9.682 1.00 2.61 O ATOM 49 CB THR A 5 -26.257 -2.452 -12.572 1.00 3.59 C ATOM 50 OG1 THR A 5 -26.356 -2.762 -13.958 1.00 4.04 O ATOM 51 CG2 THR A 5 -25.934 -0.963 -12.402 1.00 4.17 C ATOM 0 H THR A 5 -26.463 -4.929 -12.417 1.00 2.46 H new ATOM 0 HA THR A 5 -24.234 -3.200 -12.517 1.00 2.78 H new ATOM 0 HB THR A 5 -27.204 -2.667 -12.078 1.00 3.59 H new ATOM 0 HG1 THR A 5 -27.062 -2.218 -14.365 1.00 4.04 H new ATOM 0 HG21 THR A 5 -26.724 -0.365 -12.856 1.00 4.17 H new ATOM 0 HG22 THR A 5 -25.863 -0.725 -11.341 1.00 4.17 H new ATOM 0 HG23 THR A 5 -24.985 -0.739 -12.888 1.00 4.17 H new ATOM 59 N ALA A 6 -23.615 -2.602 -10.178 1.00 2.33 N ATOM 60 CA ALA A 6 -23.244 -2.170 -8.796 1.00 2.40 C ATOM 61 C ALA A 6 -23.196 -0.637 -8.709 1.00 3.08 C ATOM 62 O ALA A 6 -22.162 -0.025 -8.916 1.00 3.19 O ATOM 63 CB ALA A 6 -21.869 -2.753 -8.432 1.00 1.81 C ATOM 0 H ALA A 6 -22.831 -2.685 -10.826 1.00 2.33 H new ATOM 0 HA ALA A 6 -23.995 -2.536 -8.096 1.00 2.40 H new ATOM 0 HB1 ALA A 6 -21.596 -2.439 -7.424 1.00 1.81 H new ATOM 0 HB2 ALA A 6 -21.913 -3.841 -8.474 1.00 1.81 H new ATOM 0 HB3 ALA A 6 -21.122 -2.392 -9.139 1.00 1.81 H new ATOM 69 N ALA A 7 -24.308 -0.015 -8.384 1.00 3.71 N ATOM 70 CA ALA A 7 -24.335 1.477 -8.258 1.00 4.43 C ATOM 71 C ALA A 7 -24.011 1.863 -6.811 1.00 4.59 C ATOM 72 O ALA A 7 -23.185 2.723 -6.563 1.00 4.74 O ATOM 73 CB ALA A 7 -25.721 2.000 -8.638 1.00 5.08 C ATOM 0 H ALA A 7 -25.198 -0.479 -8.201 1.00 3.71 H new ATOM 0 HA ALA A 7 -23.595 1.917 -8.927 1.00 4.43 H new ATOM 0 HB1 ALA A 7 -25.738 3.086 -8.545 1.00 5.08 H new ATOM 0 HB2 ALA A 7 -25.946 1.720 -9.667 1.00 5.08 H new ATOM 0 HB3 ALA A 7 -26.468 1.567 -7.973 1.00 5.08 H new ATOM 79 N THR A 8 -24.640 1.214 -5.852 1.00 4.69 N ATOM 80 CA THR A 8 -24.354 1.522 -4.413 1.00 4.99 C ATOM 81 C THR A 8 -23.303 0.533 -3.901 1.00 4.49 C ATOM 82 O THR A 8 -22.258 0.927 -3.418 1.00 4.55 O ATOM 83 CB THR A 8 -25.629 1.407 -3.557 1.00 5.48 C ATOM 84 OG1 THR A 8 -26.259 0.151 -3.783 1.00 5.22 O ATOM 85 CG2 THR A 8 -26.596 2.541 -3.909 1.00 6.06 C ATOM 0 H THR A 8 -25.337 0.486 -6.007 1.00 4.69 H new ATOM 0 HA THR A 8 -23.987 2.545 -4.336 1.00 4.99 H new ATOM 0 HB THR A 8 -25.355 1.482 -2.505 1.00 5.48 H new ATOM 0 HG1 THR A 8 -27.068 0.087 -3.233 1.00 5.22 H new ATOM 0 HG21 THR A 8 -27.496 2.454 -3.300 1.00 6.06 H new ATOM 0 HG22 THR A 8 -26.117 3.501 -3.714 1.00 6.06 H new ATOM 0 HG23 THR A 8 -26.864 2.477 -4.964 1.00 6.06 H new ATOM 93 N THR A 9 -23.571 -0.748 -4.010 1.00 4.06 N ATOM 94 CA THR A 9 -22.586 -1.771 -3.542 1.00 3.62 C ATOM 95 C THR A 9 -21.538 -2.006 -4.635 1.00 2.98 C ATOM 96 O THR A 9 -21.642 -1.490 -5.735 1.00 3.07 O ATOM 97 CB THR A 9 -23.306 -3.097 -3.247 1.00 3.69 C ATOM 98 OG1 THR A 9 -24.064 -3.493 -4.385 1.00 3.58 O ATOM 99 CG2 THR A 9 -24.240 -2.929 -2.048 1.00 4.42 C ATOM 0 H THR A 9 -24.432 -1.128 -4.404 1.00 4.06 H new ATOM 0 HA THR A 9 -22.104 -1.410 -2.634 1.00 3.62 H new ATOM 0 HB THR A 9 -22.563 -3.861 -3.019 1.00 3.69 H new ATOM 0 HG1 THR A 9 -24.521 -4.339 -4.196 1.00 3.58 H new ATOM 0 HG21 THR A 9 -24.746 -3.873 -1.846 1.00 4.42 H new ATOM 0 HG22 THR A 9 -23.660 -2.634 -1.174 1.00 4.42 H new ATOM 0 HG23 THR A 9 -24.981 -2.160 -2.269 1.00 4.42 H new ATOM 107 N ALA A 10 -20.545 -2.802 -4.341 1.00 2.49 N ATOM 108 CA ALA A 10 -19.497 -3.112 -5.354 1.00 1.96 C ATOM 109 C ALA A 10 -19.979 -4.286 -6.217 1.00 1.76 C ATOM 110 O ALA A 10 -19.574 -4.432 -7.357 1.00 1.85 O ATOM 111 CB ALA A 10 -18.199 -3.495 -4.641 1.00 1.64 C ATOM 0 H ALA A 10 -20.415 -3.254 -3.436 1.00 2.49 H new ATOM 0 HA ALA A 10 -19.315 -2.241 -5.984 1.00 1.96 H new ATOM 0 HB1 ALA A 10 -17.431 -3.722 -5.380 1.00 1.64 H new ATOM 0 HB2 ALA A 10 -17.868 -2.665 -4.017 1.00 1.64 H new ATOM 0 HB3 ALA A 10 -18.372 -4.371 -4.016 1.00 1.64 H new ATOM 117 N GLY A 11 -20.849 -5.120 -5.675 1.00 1.88 N ATOM 118 CA GLY A 11 -21.379 -6.288 -6.442 1.00 2.04 C ATOM 119 C GLY A 11 -20.269 -7.318 -6.633 1.00 1.68 C ATOM 120 O GLY A 11 -20.136 -8.252 -5.862 1.00 2.08 O ATOM 0 H GLY A 11 -21.212 -5.034 -4.726 1.00 1.88 H new ATOM 0 HA2 GLY A 11 -22.218 -6.736 -5.909 1.00 2.04 H new ATOM 0 HA3 GLY A 11 -21.756 -5.960 -7.411 1.00 2.04 H new ATOM 124 N SER A 12 -19.470 -7.141 -7.654 1.00 1.27 N ATOM 125 CA SER A 12 -18.350 -8.087 -7.919 1.00 1.16 C ATOM 126 C SER A 12 -17.056 -7.512 -7.335 1.00 0.97 C ATOM 127 O SER A 12 -16.794 -6.324 -7.436 1.00 1.07 O ATOM 128 CB SER A 12 -18.195 -8.286 -9.431 1.00 1.23 C ATOM 129 OG SER A 12 -18.037 -7.020 -10.065 1.00 1.34 O ATOM 0 H SER A 12 -19.549 -6.373 -8.321 1.00 1.27 H new ATOM 0 HA SER A 12 -18.562 -9.049 -7.452 1.00 1.16 H new ATOM 0 HB2 SER A 12 -17.332 -8.918 -9.638 1.00 1.23 H new ATOM 0 HB3 SER A 12 -19.069 -8.799 -9.832 1.00 1.23 H new ATOM 0 HG SER A 12 -17.101 -6.737 -10.001 1.00 1.34 H new ATOM 135 N LYS A 13 -16.249 -8.344 -6.724 1.00 0.83 N ATOM 136 CA LYS A 13 -14.965 -7.862 -6.128 1.00 0.72 C ATOM 137 C LYS A 13 -13.793 -8.624 -6.762 1.00 0.66 C ATOM 138 O LYS A 13 -13.910 -9.788 -7.102 1.00 0.72 O ATOM 139 CB LYS A 13 -14.978 -8.095 -4.612 1.00 0.72 C ATOM 140 CG LYS A 13 -16.202 -7.406 -3.997 1.00 0.86 C ATOM 141 CD LYS A 13 -15.809 -6.732 -2.677 1.00 1.13 C ATOM 142 CE LYS A 13 -16.050 -7.702 -1.513 1.00 1.21 C ATOM 143 NZ LYS A 13 -14.779 -7.896 -0.753 1.00 1.70 N ATOM 0 H LYS A 13 -16.426 -9.342 -6.612 1.00 0.83 H new ATOM 0 HA LYS A 13 -14.851 -6.795 -6.322 1.00 0.72 H new ATOM 0 HB2 LYS A 13 -15.004 -9.164 -4.398 1.00 0.72 H new ATOM 0 HB3 LYS A 13 -14.064 -7.702 -4.166 1.00 0.72 H new ATOM 0 HG2 LYS A 13 -16.600 -6.665 -4.690 1.00 0.86 H new ATOM 0 HG3 LYS A 13 -16.992 -8.136 -3.822 1.00 0.86 H new ATOM 0 HD2 LYS A 13 -14.760 -6.436 -2.706 1.00 1.13 H new ATOM 0 HD3 LYS A 13 -16.393 -5.823 -2.533 1.00 1.13 H new ATOM 0 HE2 LYS A 13 -16.824 -7.310 -0.853 1.00 1.21 H new ATOM 0 HE3 LYS A 13 -16.409 -8.659 -1.892 1.00 1.21 H new ATOM 0 HZ1 LYS A 13 -14.943 -8.554 0.036 1.00 1.70 H new ATOM 0 HZ2 LYS A 13 -14.053 -8.288 -1.386 1.00 1.70 H new ATOM 0 HZ3 LYS A 13 -14.455 -6.981 -0.379 1.00 1.70 H new ATOM 157 N VAL A 14 -12.668 -7.970 -6.921 1.00 0.61 N ATOM 158 CA VAL A 14 -11.477 -8.639 -7.538 1.00 0.59 C ATOM 159 C VAL A 14 -10.524 -9.123 -6.435 1.00 0.53 C ATOM 160 O VAL A 14 -10.118 -8.364 -5.570 1.00 0.60 O ATOM 161 CB VAL A 14 -10.742 -7.657 -8.468 1.00 0.65 C ATOM 162 CG1 VAL A 14 -11.529 -7.499 -9.771 1.00 0.75 C ATOM 163 CG2 VAL A 14 -10.605 -6.286 -7.796 1.00 0.68 C ATOM 0 H VAL A 14 -12.522 -6.998 -6.649 1.00 0.61 H new ATOM 0 HA VAL A 14 -11.815 -9.495 -8.123 1.00 0.59 H new ATOM 0 HB VAL A 14 -9.749 -8.053 -8.678 1.00 0.65 H new ATOM 0 HG11 VAL A 14 -11.008 -6.803 -10.429 1.00 0.75 H new ATOM 0 HG12 VAL A 14 -11.616 -8.468 -10.263 1.00 0.75 H new ATOM 0 HG13 VAL A 14 -12.524 -7.113 -9.550 1.00 0.75 H new ATOM 0 HG21 VAL A 14 -10.083 -5.603 -8.466 1.00 0.68 H new ATOM 0 HG22 VAL A 14 -11.596 -5.890 -7.573 1.00 0.68 H new ATOM 0 HG23 VAL A 14 -10.039 -6.389 -6.870 1.00 0.68 H new ATOM 173 N THR A 15 -10.176 -10.389 -6.462 1.00 0.49 N ATOM 174 CA THR A 15 -9.256 -10.954 -5.426 1.00 0.46 C ATOM 175 C THR A 15 -7.880 -11.222 -6.055 1.00 0.45 C ATOM 176 O THR A 15 -7.780 -11.806 -7.120 1.00 0.56 O ATOM 177 CB THR A 15 -9.844 -12.269 -4.886 1.00 0.51 C ATOM 178 OG1 THR A 15 -11.201 -12.065 -4.498 1.00 0.61 O ATOM 179 CG2 THR A 15 -9.033 -12.740 -3.676 1.00 0.58 C ATOM 0 H THR A 15 -10.493 -11.058 -7.163 1.00 0.49 H new ATOM 0 HA THR A 15 -9.145 -10.243 -4.607 1.00 0.46 H new ATOM 0 HB THR A 15 -9.800 -13.027 -5.668 1.00 0.51 H new ATOM 0 HG1 THR A 15 -11.573 -12.905 -4.156 1.00 0.61 H new ATOM 0 HG21 THR A 15 -9.453 -13.672 -3.297 1.00 0.58 H new ATOM 0 HG22 THR A 15 -7.997 -12.903 -3.974 1.00 0.58 H new ATOM 0 HG23 THR A 15 -9.071 -11.981 -2.895 1.00 0.58 H new ATOM 187 N PHE A 16 -6.822 -10.796 -5.401 1.00 0.42 N ATOM 188 CA PHE A 16 -5.446 -11.016 -5.952 1.00 0.45 C ATOM 189 C PHE A 16 -4.615 -11.840 -4.962 1.00 0.42 C ATOM 190 O PHE A 16 -4.566 -11.539 -3.781 1.00 0.53 O ATOM 191 CB PHE A 16 -4.739 -9.670 -6.179 1.00 0.54 C ATOM 192 CG PHE A 16 -5.705 -8.640 -6.719 1.00 0.52 C ATOM 193 CD1 PHE A 16 -6.032 -8.632 -8.080 1.00 0.72 C ATOM 194 CD2 PHE A 16 -6.262 -7.686 -5.860 1.00 0.66 C ATOM 195 CE1 PHE A 16 -6.916 -7.671 -8.581 1.00 0.92 C ATOM 196 CE2 PHE A 16 -7.147 -6.725 -6.360 1.00 0.85 C ATOM 197 CZ PHE A 16 -7.473 -6.717 -7.721 1.00 0.93 C ATOM 0 H PHE A 16 -6.854 -10.305 -4.508 1.00 0.42 H new ATOM 0 HA PHE A 16 -5.538 -11.547 -6.900 1.00 0.45 H new ATOM 0 HB2 PHE A 16 -4.310 -9.317 -5.241 1.00 0.54 H new ATOM 0 HB3 PHE A 16 -3.913 -9.801 -6.878 1.00 0.54 H new ATOM 0 HD1 PHE A 16 -5.602 -9.368 -8.743 1.00 0.72 H new ATOM 0 HD2 PHE A 16 -6.008 -7.692 -4.810 1.00 0.66 H new ATOM 0 HE1 PHE A 16 -7.169 -7.665 -9.631 1.00 0.92 H new ATOM 0 HE2 PHE A 16 -7.578 -5.990 -5.696 1.00 0.85 H new ATOM 0 HZ PHE A 16 -8.155 -5.974 -8.108 1.00 0.93 H new ATOM 207 N LYS A 17 -3.942 -12.861 -5.439 1.00 0.37 N ATOM 208 CA LYS A 17 -3.088 -13.694 -4.536 1.00 0.35 C ATOM 209 C LYS A 17 -1.613 -13.381 -4.823 1.00 0.37 C ATOM 210 O LYS A 17 -1.034 -13.862 -5.783 1.00 0.46 O ATOM 211 CB LYS A 17 -3.379 -15.191 -4.750 1.00 0.41 C ATOM 212 CG LYS A 17 -3.140 -15.589 -6.212 1.00 0.54 C ATOM 213 CD LYS A 17 -3.901 -16.881 -6.519 1.00 0.72 C ATOM 214 CE LYS A 17 -4.937 -16.617 -7.616 1.00 1.08 C ATOM 215 NZ LYS A 17 -4.955 -17.756 -8.581 1.00 1.45 N ATOM 0 H LYS A 17 -3.948 -13.153 -6.416 1.00 0.37 H new ATOM 0 HA LYS A 17 -3.313 -13.457 -3.496 1.00 0.35 H new ATOM 0 HB2 LYS A 17 -2.741 -15.787 -4.097 1.00 0.41 H new ATOM 0 HB3 LYS A 17 -4.411 -15.409 -4.473 1.00 0.41 H new ATOM 0 HG2 LYS A 17 -3.473 -14.792 -6.876 1.00 0.54 H new ATOM 0 HG3 LYS A 17 -2.074 -15.730 -6.392 1.00 0.54 H new ATOM 0 HD2 LYS A 17 -3.206 -17.657 -6.840 1.00 0.72 H new ATOM 0 HD3 LYS A 17 -4.395 -17.247 -5.619 1.00 0.72 H new ATOM 0 HE2 LYS A 17 -5.924 -16.489 -7.173 1.00 1.08 H new ATOM 0 HE3 LYS A 17 -4.699 -15.690 -8.138 1.00 1.08 H new ATOM 0 HZ1 LYS A 17 -5.660 -17.571 -9.323 1.00 1.45 H new ATOM 0 HZ2 LYS A 17 -4.015 -17.859 -9.014 1.00 1.45 H new ATOM 0 HZ3 LYS A 17 -5.203 -18.632 -8.079 1.00 1.45 H new ATOM 229 N ILE A 18 -1.010 -12.558 -4.001 1.00 0.36 N ATOM 230 CA ILE A 18 0.421 -12.185 -4.212 1.00 0.39 C ATOM 231 C ILE A 18 1.325 -13.153 -3.442 1.00 0.41 C ATOM 232 O ILE A 18 1.083 -13.455 -2.288 1.00 0.47 O ATOM 233 CB ILE A 18 0.657 -10.751 -3.717 1.00 0.43 C ATOM 234 CG1 ILE A 18 -0.329 -9.799 -4.407 1.00 0.44 C ATOM 235 CG2 ILE A 18 2.088 -10.319 -4.048 1.00 0.54 C ATOM 236 CD1 ILE A 18 -1.312 -9.241 -3.376 1.00 0.56 C ATOM 0 H ILE A 18 -1.451 -12.127 -3.189 1.00 0.36 H new ATOM 0 HA ILE A 18 0.657 -12.243 -5.275 1.00 0.39 H new ATOM 0 HB ILE A 18 0.506 -10.717 -2.638 1.00 0.43 H new ATOM 0 HG12 ILE A 18 0.213 -8.983 -4.886 1.00 0.44 H new ATOM 0 HG13 ILE A 18 -0.871 -10.327 -5.192 1.00 0.44 H new ATOM 0 HG21 ILE A 18 2.251 -9.301 -3.695 1.00 0.54 H new ATOM 0 HG22 ILE A 18 2.793 -10.990 -3.558 1.00 0.54 H new ATOM 0 HG23 ILE A 18 2.239 -10.358 -5.127 1.00 0.54 H new ATOM 0 HD11 ILE A 18 -2.011 -8.565 -3.868 1.00 0.56 H new ATOM 0 HD12 ILE A 18 -1.863 -10.062 -2.917 1.00 0.56 H new ATOM 0 HD13 ILE A 18 -0.763 -8.698 -2.607 1.00 0.56 H new ATOM 248 N THR A 19 2.366 -13.635 -4.077 1.00 0.48 N ATOM 249 CA THR A 19 3.304 -14.581 -3.400 1.00 0.52 C ATOM 250 C THR A 19 4.713 -13.976 -3.417 1.00 0.52 C ATOM 251 O THR A 19 5.323 -13.839 -4.464 1.00 0.57 O ATOM 252 CB THR A 19 3.306 -15.926 -4.142 1.00 0.59 C ATOM 253 OG1 THR A 19 1.974 -16.410 -4.254 1.00 0.63 O ATOM 254 CG2 THR A 19 4.153 -16.941 -3.371 1.00 0.68 C ATOM 0 H THR A 19 2.607 -13.411 -5.043 1.00 0.48 H new ATOM 0 HA THR A 19 2.986 -14.746 -2.371 1.00 0.52 H new ATOM 0 HB THR A 19 3.728 -15.786 -5.137 1.00 0.59 H new ATOM 0 HG1 THR A 19 1.976 -17.267 -4.729 1.00 0.63 H new ATOM 0 HG21 THR A 19 4.151 -17.893 -3.901 1.00 0.68 H new ATOM 0 HG22 THR A 19 5.176 -16.573 -3.288 1.00 0.68 H new ATOM 0 HG23 THR A 19 3.736 -17.080 -2.374 1.00 0.68 H new ATOM 262 N LEU A 20 5.230 -13.602 -2.269 1.00 0.54 N ATOM 263 CA LEU A 20 6.599 -12.995 -2.223 1.00 0.58 C ATOM 264 C LEU A 20 7.645 -14.031 -2.667 1.00 0.56 C ATOM 265 O LEU A 20 7.552 -15.204 -2.342 1.00 0.56 O ATOM 266 CB LEU A 20 6.897 -12.482 -0.798 1.00 0.63 C ATOM 267 CG LEU A 20 7.464 -13.599 0.092 1.00 0.63 C ATOM 268 CD1 LEU A 20 8.059 -12.981 1.358 1.00 0.73 C ATOM 269 CD2 LEU A 20 6.345 -14.571 0.481 1.00 0.66 C ATOM 0 H LEU A 20 4.765 -13.691 -1.366 1.00 0.54 H new ATOM 0 HA LEU A 20 6.645 -12.148 -2.908 1.00 0.58 H new ATOM 0 HB2 LEU A 20 7.608 -11.658 -0.848 1.00 0.63 H new ATOM 0 HB3 LEU A 20 5.983 -12.088 -0.353 1.00 0.63 H new ATOM 0 HG LEU A 20 8.237 -14.139 -0.455 1.00 0.63 H new ATOM 0 HD11 LEU A 20 8.463 -13.770 1.993 1.00 0.73 H new ATOM 0 HD12 LEU A 20 8.857 -12.291 1.085 1.00 0.73 H new ATOM 0 HD13 LEU A 20 7.282 -12.442 1.899 1.00 0.73 H new ATOM 0 HD21 LEU A 20 6.752 -15.361 1.112 1.00 0.66 H new ATOM 0 HD22 LEU A 20 5.570 -14.034 1.027 1.00 0.66 H new ATOM 0 HD23 LEU A 20 5.916 -15.011 -0.419 1.00 0.66 H new ATOM 281 N THR A 21 8.629 -13.601 -3.419 1.00 0.63 N ATOM 282 CA THR A 21 9.686 -14.544 -3.908 1.00 0.66 C ATOM 283 C THR A 21 11.014 -14.307 -3.163 1.00 0.72 C ATOM 284 O THR A 21 11.987 -15.003 -3.394 1.00 0.95 O ATOM 285 CB THR A 21 9.887 -14.337 -5.420 1.00 0.75 C ATOM 286 OG1 THR A 21 10.820 -15.290 -5.912 1.00 0.85 O ATOM 287 CG2 THR A 21 10.408 -12.921 -5.694 1.00 0.83 C ATOM 0 H THR A 21 8.747 -12.633 -3.717 1.00 0.63 H new ATOM 0 HA THR A 21 9.366 -15.568 -3.715 1.00 0.66 H new ATOM 0 HB THR A 21 8.930 -14.468 -5.926 1.00 0.75 H new ATOM 0 HG1 THR A 21 11.442 -15.539 -5.196 1.00 0.85 H new ATOM 0 HG21 THR A 21 10.547 -12.786 -6.767 1.00 0.83 H new ATOM 0 HG22 THR A 21 9.687 -12.191 -5.326 1.00 0.83 H new ATOM 0 HG23 THR A 21 11.361 -12.779 -5.184 1.00 0.83 H new ATOM 295 N SER A 22 11.067 -13.339 -2.273 1.00 0.83 N ATOM 296 CA SER A 22 12.333 -13.072 -1.525 1.00 0.90 C ATOM 297 C SER A 22 12.450 -14.040 -0.339 1.00 0.86 C ATOM 298 O SER A 22 13.495 -14.622 -0.110 1.00 0.98 O ATOM 299 CB SER A 22 12.333 -11.629 -1.014 1.00 0.97 C ATOM 300 OG SER A 22 13.432 -10.932 -1.582 1.00 1.38 O ATOM 0 H SER A 22 10.287 -12.726 -2.036 1.00 0.83 H new ATOM 0 HA SER A 22 13.182 -13.219 -2.192 1.00 0.90 H new ATOM 0 HB2 SER A 22 11.398 -11.136 -1.280 1.00 0.97 H new ATOM 0 HB3 SER A 22 12.402 -11.616 0.074 1.00 0.97 H new ATOM 0 HG SER A 22 13.121 -10.391 -2.338 1.00 1.38 H new ATOM 306 N ASP A 23 11.385 -14.214 0.413 1.00 0.81 N ATOM 307 CA ASP A 23 11.425 -15.140 1.584 1.00 0.80 C ATOM 308 C ASP A 23 10.526 -16.358 1.314 1.00 0.74 C ATOM 309 O ASP A 23 9.333 -16.211 1.114 1.00 0.67 O ATOM 310 CB ASP A 23 10.931 -14.401 2.831 1.00 0.86 C ATOM 311 CG ASP A 23 11.487 -15.074 4.089 1.00 0.90 C ATOM 312 OD1 ASP A 23 10.835 -15.975 4.593 1.00 0.99 O ATOM 313 OD2 ASP A 23 12.553 -14.676 4.531 1.00 0.99 O ATOM 0 H ASP A 23 10.489 -13.751 0.262 1.00 0.81 H new ATOM 0 HA ASP A 23 12.448 -15.480 1.743 1.00 0.80 H new ATOM 0 HB2 ASP A 23 11.247 -13.358 2.796 1.00 0.86 H new ATOM 0 HB3 ASP A 23 9.841 -14.403 2.858 1.00 0.86 H new ATOM 318 N PRO A 24 11.132 -17.526 1.315 1.00 0.87 N ATOM 319 CA PRO A 24 10.421 -18.800 1.069 1.00 0.90 C ATOM 320 C PRO A 24 9.646 -19.257 2.317 1.00 0.84 C ATOM 321 O PRO A 24 8.620 -19.903 2.208 1.00 0.90 O ATOM 322 CB PRO A 24 11.549 -19.781 0.736 1.00 1.13 C ATOM 323 CG PRO A 24 12.841 -19.190 1.351 1.00 1.23 C ATOM 324 CD PRO A 24 12.583 -17.687 1.559 1.00 1.07 C ATOM 0 HA PRO A 24 9.677 -18.720 0.276 1.00 0.90 H new ATOM 0 HB2 PRO A 24 11.339 -20.768 1.148 1.00 1.13 H new ATOM 0 HB3 PRO A 24 11.653 -19.902 -0.342 1.00 1.13 H new ATOM 0 HG2 PRO A 24 13.077 -19.677 2.297 1.00 1.23 H new ATOM 0 HG3 PRO A 24 13.693 -19.349 0.689 1.00 1.23 H new ATOM 0 HD2 PRO A 24 12.854 -17.373 2.567 1.00 1.07 H new ATOM 0 HD3 PRO A 24 13.172 -17.083 0.868 1.00 1.07 H new ATOM 332 N LYS A 25 10.132 -18.933 3.497 1.00 0.87 N ATOM 333 CA LYS A 25 9.430 -19.351 4.752 1.00 0.90 C ATOM 334 C LYS A 25 8.064 -18.654 4.849 1.00 0.76 C ATOM 335 O LYS A 25 7.075 -19.270 5.203 1.00 0.85 O ATOM 336 CB LYS A 25 10.285 -18.977 5.968 1.00 1.06 C ATOM 337 CG LYS A 25 11.424 -19.989 6.126 1.00 1.38 C ATOM 338 CD LYS A 25 12.553 -19.368 6.955 1.00 1.37 C ATOM 339 CE LYS A 25 13.642 -18.826 6.022 1.00 1.93 C ATOM 340 NZ LYS A 25 13.995 -17.431 6.418 1.00 2.21 N ATOM 0 H LYS A 25 10.987 -18.396 3.642 1.00 0.87 H new ATOM 0 HA LYS A 25 9.278 -20.430 4.732 1.00 0.90 H new ATOM 0 HB2 LYS A 25 10.691 -17.973 5.845 1.00 1.06 H new ATOM 0 HB3 LYS A 25 9.670 -18.963 6.868 1.00 1.06 H new ATOM 0 HG2 LYS A 25 11.056 -20.892 6.613 1.00 1.38 H new ATOM 0 HG3 LYS A 25 11.799 -20.285 5.146 1.00 1.38 H new ATOM 0 HD2 LYS A 25 12.160 -18.564 7.577 1.00 1.37 H new ATOM 0 HD3 LYS A 25 12.976 -20.114 7.628 1.00 1.37 H new ATOM 0 HE2 LYS A 25 14.525 -19.463 6.070 1.00 1.93 H new ATOM 0 HE3 LYS A 25 13.292 -18.844 4.990 1.00 1.93 H new ATOM 0 HZ1 LYS A 25 14.734 -17.066 5.783 1.00 2.21 H new ATOM 0 HZ2 LYS A 25 13.151 -16.827 6.350 1.00 2.21 H new ATOM 0 HZ3 LYS A 25 14.346 -17.426 7.397 1.00 2.21 H new ATOM 354 N LEU A 26 8.002 -17.377 4.537 1.00 0.66 N ATOM 355 CA LEU A 26 6.699 -16.640 4.611 1.00 0.61 C ATOM 356 C LEU A 26 5.768 -17.105 3.477 1.00 0.56 C ATOM 357 O LEU A 26 6.198 -17.253 2.347 1.00 0.56 O ATOM 358 CB LEU A 26 6.952 -15.136 4.482 1.00 0.60 C ATOM 359 CG LEU A 26 7.244 -14.547 5.865 1.00 0.64 C ATOM 360 CD1 LEU A 26 8.393 -13.543 5.760 1.00 1.11 C ATOM 361 CD2 LEU A 26 5.994 -13.835 6.393 1.00 0.93 C ATOM 0 H LEU A 26 8.798 -16.816 4.235 1.00 0.66 H new ATOM 0 HA LEU A 26 6.225 -16.848 5.570 1.00 0.61 H new ATOM 0 HB2 LEU A 26 7.793 -14.954 3.813 1.00 0.60 H new ATOM 0 HB3 LEU A 26 6.083 -14.647 4.043 1.00 0.60 H new ATOM 0 HG LEU A 26 7.522 -15.349 6.548 1.00 0.64 H new ATOM 0 HD11 LEU A 26 8.601 -13.124 6.744 1.00 1.11 H new ATOM 0 HD12 LEU A 26 9.284 -14.047 5.385 1.00 1.11 H new ATOM 0 HD13 LEU A 26 8.114 -12.742 5.076 1.00 1.11 H new ATOM 0 HD21 LEU A 26 6.202 -13.416 7.377 1.00 0.93 H new ATOM 0 HD22 LEU A 26 5.716 -13.033 5.709 1.00 0.93 H new ATOM 0 HD23 LEU A 26 5.174 -14.549 6.469 1.00 0.93 H new ATOM 373 N PRO A 27 4.513 -17.325 3.820 1.00 0.59 N ATOM 374 CA PRO A 27 3.484 -17.780 2.859 1.00 0.61 C ATOM 375 C PRO A 27 2.973 -16.617 1.993 1.00 0.54 C ATOM 376 O PRO A 27 3.267 -15.461 2.245 1.00 0.58 O ATOM 377 CB PRO A 27 2.365 -18.313 3.758 1.00 0.75 C ATOM 378 CG PRO A 27 2.545 -17.628 5.134 1.00 0.79 C ATOM 379 CD PRO A 27 4.006 -17.142 5.199 1.00 0.69 C ATOM 0 HA PRO A 27 3.866 -18.524 2.160 1.00 0.61 H new ATOM 0 HB2 PRO A 27 1.386 -18.085 3.336 1.00 0.75 H new ATOM 0 HB3 PRO A 27 2.427 -19.397 3.853 1.00 0.75 H new ATOM 0 HG2 PRO A 27 1.854 -16.792 5.244 1.00 0.79 H new ATOM 0 HG3 PRO A 27 2.333 -18.326 5.944 1.00 0.79 H new ATOM 0 HD2 PRO A 27 4.065 -16.099 5.510 1.00 0.69 H new ATOM 0 HD3 PRO A 27 4.587 -17.722 5.917 1.00 0.69 H new ATOM 387 N PHE A 28 2.202 -16.926 0.974 1.00 0.55 N ATOM 388 CA PHE A 28 1.652 -15.861 0.075 1.00 0.51 C ATOM 389 C PHE A 28 0.474 -15.150 0.765 1.00 0.48 C ATOM 390 O PHE A 28 -0.081 -15.645 1.732 1.00 0.59 O ATOM 391 CB PHE A 28 1.193 -16.486 -1.254 1.00 0.52 C ATOM 392 CG PHE A 28 -0.031 -17.356 -1.047 1.00 0.54 C ATOM 393 CD1 PHE A 28 0.114 -18.687 -0.634 1.00 0.78 C ATOM 394 CD2 PHE A 28 -1.309 -16.833 -1.278 1.00 0.79 C ATOM 395 CE1 PHE A 28 -1.017 -19.491 -0.451 1.00 0.96 C ATOM 396 CE2 PHE A 28 -2.439 -17.638 -1.093 1.00 0.96 C ATOM 397 CZ PHE A 28 -2.293 -18.967 -0.681 1.00 0.95 C ATOM 0 H PHE A 28 1.929 -17.877 0.726 1.00 0.55 H new ATOM 0 HA PHE A 28 2.432 -15.128 -0.132 1.00 0.51 H new ATOM 0 HB2 PHE A 28 0.967 -15.698 -1.972 1.00 0.52 H new ATOM 0 HB3 PHE A 28 2.001 -17.082 -1.678 1.00 0.52 H new ATOM 0 HD1 PHE A 28 1.099 -19.093 -0.457 1.00 0.78 H new ATOM 0 HD2 PHE A 28 -1.423 -15.808 -1.599 1.00 0.79 H new ATOM 0 HE1 PHE A 28 -0.904 -20.517 -0.132 1.00 0.96 H new ATOM 0 HE2 PHE A 28 -3.425 -17.233 -1.268 1.00 0.96 H new ATOM 0 HZ PHE A 28 -3.165 -19.588 -0.541 1.00 0.95 H new ATOM 407 N LYS A 29 0.100 -13.988 0.280 1.00 0.45 N ATOM 408 CA LYS A 29 -1.028 -13.230 0.905 1.00 0.48 C ATOM 409 C LYS A 29 -2.158 -13.017 -0.111 1.00 0.44 C ATOM 410 O LYS A 29 -1.921 -12.688 -1.262 1.00 0.53 O ATOM 411 CB LYS A 29 -0.513 -11.868 1.384 1.00 0.52 C ATOM 412 CG LYS A 29 -1.194 -11.495 2.704 1.00 0.62 C ATOM 413 CD LYS A 29 -2.209 -10.374 2.461 1.00 0.81 C ATOM 414 CE LYS A 29 -2.612 -9.753 3.801 1.00 0.84 C ATOM 415 NZ LYS A 29 -3.938 -9.077 3.669 1.00 0.99 N ATOM 0 H LYS A 29 0.530 -13.532 -0.525 1.00 0.45 H new ATOM 0 HA LYS A 29 -1.416 -13.802 1.748 1.00 0.48 H new ATOM 0 HB2 LYS A 29 0.568 -11.904 1.519 1.00 0.52 H new ATOM 0 HB3 LYS A 29 -0.715 -11.106 0.631 1.00 0.52 H new ATOM 0 HG2 LYS A 29 -1.694 -12.367 3.126 1.00 0.62 H new ATOM 0 HG3 LYS A 29 -0.448 -11.173 3.431 1.00 0.62 H new ATOM 0 HD2 LYS A 29 -1.778 -9.613 1.810 1.00 0.81 H new ATOM 0 HD3 LYS A 29 -3.088 -10.769 1.952 1.00 0.81 H new ATOM 0 HE2 LYS A 29 -2.662 -10.525 4.569 1.00 0.84 H new ATOM 0 HE3 LYS A 29 -1.858 -9.034 4.120 1.00 0.84 H new ATOM 0 HZ1 LYS A 29 -3.827 -8.058 3.843 1.00 0.99 H new ATOM 0 HZ2 LYS A 29 -4.310 -9.226 2.709 1.00 0.99 H new ATOM 0 HZ3 LYS A 29 -4.602 -9.476 4.363 1.00 0.99 H new ATOM 429 N VAL A 30 -3.388 -13.191 0.318 1.00 0.43 N ATOM 430 CA VAL A 30 -4.555 -12.989 -0.597 1.00 0.44 C ATOM 431 C VAL A 30 -5.257 -11.678 -0.224 1.00 0.39 C ATOM 432 O VAL A 30 -5.486 -11.399 0.941 1.00 0.55 O ATOM 433 CB VAL A 30 -5.540 -14.157 -0.452 1.00 0.59 C ATOM 434 CG1 VAL A 30 -6.658 -14.020 -1.492 1.00 0.71 C ATOM 435 CG2 VAL A 30 -4.806 -15.480 -0.675 1.00 0.73 C ATOM 0 H VAL A 30 -3.633 -13.466 1.269 1.00 0.43 H new ATOM 0 HA VAL A 30 -4.207 -12.945 -1.629 1.00 0.44 H new ATOM 0 HB VAL A 30 -5.968 -14.141 0.550 1.00 0.59 H new ATOM 0 HG11 VAL A 30 -7.356 -14.850 -1.387 1.00 0.71 H new ATOM 0 HG12 VAL A 30 -7.187 -13.080 -1.336 1.00 0.71 H new ATOM 0 HG13 VAL A 30 -6.227 -14.032 -2.493 1.00 0.71 H new ATOM 0 HG21 VAL A 30 -5.508 -16.307 -0.571 1.00 0.73 H new ATOM 0 HG22 VAL A 30 -4.375 -15.493 -1.676 1.00 0.73 H new ATOM 0 HG23 VAL A 30 -4.011 -15.584 0.063 1.00 0.73 H new ATOM 445 N LEU A 31 -5.597 -10.874 -1.202 1.00 0.36 N ATOM 446 CA LEU A 31 -6.281 -9.577 -0.913 1.00 0.37 C ATOM 447 C LEU A 31 -7.594 -9.494 -1.700 1.00 0.37 C ATOM 448 O LEU A 31 -7.596 -9.406 -2.916 1.00 0.42 O ATOM 449 CB LEU A 31 -5.363 -8.416 -1.311 1.00 0.45 C ATOM 450 CG LEU A 31 -4.646 -7.881 -0.067 1.00 0.50 C ATOM 451 CD1 LEU A 31 -3.154 -7.721 -0.364 1.00 0.66 C ATOM 452 CD2 LEU A 31 -5.240 -6.522 0.318 1.00 0.82 C ATOM 0 H LEU A 31 -5.429 -11.062 -2.190 1.00 0.36 H new ATOM 0 HA LEU A 31 -6.502 -9.515 0.153 1.00 0.37 H new ATOM 0 HB2 LEU A 31 -4.633 -8.752 -2.048 1.00 0.45 H new ATOM 0 HB3 LEU A 31 -5.945 -7.622 -1.778 1.00 0.45 H new ATOM 0 HG LEU A 31 -4.777 -8.582 0.757 1.00 0.50 H new ATOM 0 HD11 LEU A 31 -2.645 -7.340 0.522 1.00 0.66 H new ATOM 0 HD12 LEU A 31 -2.732 -8.688 -0.637 1.00 0.66 H new ATOM 0 HD13 LEU A 31 -3.020 -7.020 -1.188 1.00 0.66 H new ATOM 0 HD21 LEU A 31 -4.731 -6.140 1.203 1.00 0.82 H new ATOM 0 HD22 LEU A 31 -5.110 -5.821 -0.507 1.00 0.82 H new ATOM 0 HD23 LEU A 31 -6.303 -6.637 0.532 1.00 0.82 H new ATOM 464 N SER A 32 -8.709 -9.517 -1.008 1.00 0.41 N ATOM 465 CA SER A 32 -10.036 -9.433 -1.695 1.00 0.45 C ATOM 466 C SER A 32 -10.588 -8.009 -1.552 1.00 0.51 C ATOM 467 O SER A 32 -10.941 -7.575 -0.469 1.00 0.59 O ATOM 468 CB SER A 32 -11.013 -10.438 -1.068 1.00 0.52 C ATOM 469 OG SER A 32 -11.013 -10.288 0.348 1.00 0.63 O ATOM 0 H SER A 32 -8.756 -9.591 0.008 1.00 0.41 H new ATOM 0 HA SER A 32 -9.916 -9.672 -2.752 1.00 0.45 H new ATOM 0 HB2 SER A 32 -12.017 -10.277 -1.460 1.00 0.52 H new ATOM 0 HB3 SER A 32 -10.725 -11.455 -1.336 1.00 0.52 H new ATOM 0 HG SER A 32 -10.971 -9.336 0.576 1.00 0.63 H new ATOM 475 N VAL A 33 -10.652 -7.278 -2.641 1.00 0.54 N ATOM 476 CA VAL A 33 -11.169 -5.874 -2.584 1.00 0.61 C ATOM 477 C VAL A 33 -12.079 -5.599 -3.792 1.00 0.66 C ATOM 478 O VAL A 33 -11.970 -6.256 -4.811 1.00 0.67 O ATOM 479 CB VAL A 33 -9.992 -4.886 -2.600 1.00 0.61 C ATOM 480 CG1 VAL A 33 -9.304 -4.881 -1.232 1.00 0.68 C ATOM 481 CG2 VAL A 33 -8.979 -5.295 -3.676 1.00 0.60 C ATOM 0 H VAL A 33 -10.368 -7.595 -3.568 1.00 0.54 H new ATOM 0 HA VAL A 33 -11.741 -5.746 -1.665 1.00 0.61 H new ATOM 0 HB VAL A 33 -10.371 -3.888 -2.822 1.00 0.61 H new ATOM 0 HG11 VAL A 33 -8.470 -4.179 -1.247 1.00 0.68 H new ATOM 0 HG12 VAL A 33 -10.019 -4.579 -0.466 1.00 0.68 H new ATOM 0 HG13 VAL A 33 -8.933 -5.881 -1.008 1.00 0.68 H new ATOM 0 HG21 VAL A 33 -8.148 -4.589 -3.680 1.00 0.60 H new ATOM 0 HG22 VAL A 33 -8.604 -6.296 -3.461 1.00 0.60 H new ATOM 0 HG23 VAL A 33 -9.464 -5.291 -4.652 1.00 0.60 H new ATOM 491 N PRO A 34 -12.949 -4.625 -3.638 1.00 0.72 N ATOM 492 CA PRO A 34 -13.896 -4.223 -4.698 1.00 0.80 C ATOM 493 C PRO A 34 -13.188 -3.390 -5.776 1.00 0.80 C ATOM 494 O PRO A 34 -12.168 -2.765 -5.521 1.00 0.79 O ATOM 495 CB PRO A 34 -14.936 -3.381 -3.952 1.00 0.90 C ATOM 496 CG PRO A 34 -14.247 -2.878 -2.661 1.00 0.89 C ATOM 497 CD PRO A 34 -13.067 -3.832 -2.394 1.00 0.77 C ATOM 0 HA PRO A 34 -14.335 -5.074 -5.219 1.00 0.80 H new ATOM 0 HB2 PRO A 34 -15.270 -2.544 -4.565 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -15.819 -3.975 -3.715 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -13.897 -1.853 -2.782 1.00 0.89 H new ATOM 0 HG3 PRO A 34 -14.944 -2.880 -1.823 1.00 0.89 H new ATOM 0 HD2 PRO A 34 -12.150 -3.281 -2.185 1.00 0.77 H new ATOM 0 HD3 PRO A 34 -13.259 -4.471 -1.532 1.00 0.77 H new ATOM 505 N GLU A 35 -13.732 -3.379 -6.976 1.00 0.84 N ATOM 506 CA GLU A 35 -13.118 -2.593 -8.094 1.00 0.87 C ATOM 507 C GLU A 35 -13.190 -1.098 -7.756 1.00 0.91 C ATOM 508 O GLU A 35 -14.093 -0.390 -8.169 1.00 0.99 O ATOM 509 CB GLU A 35 -13.877 -2.873 -9.399 1.00 0.94 C ATOM 510 CG GLU A 35 -13.427 -4.218 -9.979 1.00 0.89 C ATOM 511 CD GLU A 35 -14.458 -5.300 -9.638 1.00 0.92 C ATOM 512 OE1 GLU A 35 -15.452 -5.390 -10.342 1.00 1.14 O ATOM 513 OE2 GLU A 35 -14.236 -6.020 -8.679 1.00 0.88 O ATOM 0 H GLU A 35 -14.581 -3.886 -7.227 1.00 0.84 H new ATOM 0 HA GLU A 35 -12.076 -2.886 -8.222 1.00 0.87 H new ATOM 0 HB2 GLU A 35 -14.951 -2.888 -9.211 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -13.691 -2.075 -10.118 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -13.313 -4.139 -11.060 1.00 0.89 H new ATOM 0 HG3 GLU A 35 -12.452 -4.491 -9.575 1.00 0.89 H new ATOM 520 N SER A 36 -12.237 -0.631 -6.990 1.00 0.88 N ATOM 521 CA SER A 36 -12.204 0.808 -6.577 1.00 0.93 C ATOM 522 C SER A 36 -10.975 1.053 -5.693 1.00 0.86 C ATOM 523 O SER A 36 -10.341 2.090 -5.779 1.00 0.87 O ATOM 524 CB SER A 36 -13.474 1.156 -5.788 1.00 1.00 C ATOM 525 OG SER A 36 -13.651 0.224 -4.727 1.00 0.98 O ATOM 0 H SER A 36 -11.468 -1.194 -6.627 1.00 0.88 H new ATOM 0 HA SER A 36 -12.152 1.435 -7.467 1.00 0.93 H new ATOM 0 HB2 SER A 36 -13.399 2.167 -5.388 1.00 1.00 H new ATOM 0 HB3 SER A 36 -14.341 1.138 -6.449 1.00 1.00 H new ATOM 0 HG SER A 36 -14.461 0.450 -4.225 1.00 0.98 H new ATOM 531 N THR A 37 -10.632 0.103 -4.845 1.00 0.81 N ATOM 532 CA THR A 37 -9.441 0.272 -3.951 1.00 0.75 C ATOM 533 C THR A 37 -8.171 0.435 -4.804 1.00 0.71 C ATOM 534 O THR A 37 -8.022 -0.223 -5.818 1.00 0.73 O ATOM 535 CB THR A 37 -9.293 -0.956 -3.041 1.00 0.73 C ATOM 536 OG1 THR A 37 -9.334 -2.141 -3.826 1.00 0.75 O ATOM 537 CG2 THR A 37 -10.430 -0.978 -2.017 1.00 0.81 C ATOM 0 H THR A 37 -11.129 -0.781 -4.737 1.00 0.81 H new ATOM 0 HA THR A 37 -9.581 1.161 -3.336 1.00 0.75 H new ATOM 0 HB THR A 37 -8.338 -0.903 -2.518 1.00 0.73 H new ATOM 0 HG1 THR A 37 -8.422 -2.466 -3.975 1.00 0.75 H new ATOM 0 HG21 THR A 37 -10.322 -1.851 -1.373 1.00 0.81 H new ATOM 0 HG22 THR A 37 -10.392 -0.073 -1.411 1.00 0.81 H new ATOM 0 HG23 THR A 37 -11.387 -1.027 -2.537 1.00 0.81 H new ATOM 545 N PRO A 38 -7.295 1.312 -4.365 1.00 0.69 N ATOM 546 CA PRO A 38 -6.028 1.596 -5.069 1.00 0.67 C ATOM 547 C PRO A 38 -4.990 0.494 -4.805 1.00 0.61 C ATOM 548 O PRO A 38 -4.983 -0.138 -3.758 1.00 0.61 O ATOM 549 CB PRO A 38 -5.571 2.927 -4.463 1.00 0.68 C ATOM 550 CG PRO A 38 -6.268 3.043 -3.087 1.00 0.69 C ATOM 551 CD PRO A 38 -7.487 2.103 -3.129 1.00 0.70 C ATOM 0 HA PRO A 38 -6.148 1.638 -6.152 1.00 0.67 H new ATOM 0 HB2 PRO A 38 -4.487 2.951 -4.352 1.00 0.68 H new ATOM 0 HB3 PRO A 38 -5.844 3.762 -5.108 1.00 0.68 H new ATOM 0 HG2 PRO A 38 -5.588 2.760 -2.283 1.00 0.69 H new ATOM 0 HG3 PRO A 38 -6.578 4.070 -2.895 1.00 0.69 H new ATOM 0 HD2 PRO A 38 -7.526 1.462 -2.248 1.00 0.70 H new ATOM 0 HD3 PRO A 38 -8.421 2.664 -3.156 1.00 0.70 H new ATOM 559 N PHE A 39 -4.104 0.271 -5.751 1.00 0.61 N ATOM 560 CA PHE A 39 -3.049 -0.773 -5.572 1.00 0.56 C ATOM 561 C PHE A 39 -2.089 -0.356 -4.446 1.00 0.55 C ATOM 562 O PHE A 39 -1.382 -1.180 -3.900 1.00 0.54 O ATOM 563 CB PHE A 39 -2.269 -0.957 -6.879 1.00 0.58 C ATOM 564 CG PHE A 39 -1.692 -2.355 -6.930 1.00 0.53 C ATOM 565 CD1 PHE A 39 -2.545 -3.467 -6.920 1.00 0.55 C ATOM 566 CD2 PHE A 39 -0.305 -2.540 -6.986 1.00 0.56 C ATOM 567 CE1 PHE A 39 -2.011 -4.760 -6.967 1.00 0.55 C ATOM 568 CE2 PHE A 39 0.228 -3.834 -7.031 1.00 0.56 C ATOM 569 CZ PHE A 39 -0.626 -4.944 -7.022 1.00 0.54 C ATOM 0 H PHE A 39 -4.069 0.770 -6.640 1.00 0.61 H new ATOM 0 HA PHE A 39 -3.524 -1.717 -5.306 1.00 0.56 H new ATOM 0 HB2 PHE A 39 -2.926 -0.792 -7.733 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -1.469 -0.219 -6.945 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -3.615 -3.326 -6.876 1.00 0.55 H new ATOM 0 HD2 PHE A 39 0.354 -1.684 -6.994 1.00 0.56 H new ATOM 0 HE1 PHE A 39 -2.669 -5.616 -6.961 1.00 0.55 H new ATOM 0 HE2 PHE A 39 1.298 -3.976 -7.073 1.00 0.56 H new ATOM 0 HZ PHE A 39 -0.215 -5.942 -7.058 1.00 0.54 H new ATOM 579 N THR A 40 -2.071 0.912 -4.085 1.00 0.56 N ATOM 580 CA THR A 40 -1.175 1.374 -2.978 1.00 0.55 C ATOM 581 C THR A 40 -1.572 0.649 -1.687 1.00 0.53 C ATOM 582 O THR A 40 -0.729 0.166 -0.954 1.00 0.52 O ATOM 583 CB THR A 40 -1.322 2.891 -2.778 1.00 0.61 C ATOM 584 OG1 THR A 40 -2.702 3.239 -2.728 1.00 0.68 O ATOM 585 CG2 THR A 40 -0.653 3.631 -3.936 1.00 0.71 C ATOM 0 H THR A 40 -2.640 1.643 -4.512 1.00 0.56 H new ATOM 0 HA THR A 40 -0.139 1.151 -3.231 1.00 0.55 H new ATOM 0 HB THR A 40 -0.843 3.175 -1.841 1.00 0.61 H new ATOM 0 HG1 THR A 40 -2.791 4.206 -2.599 1.00 0.68 H new ATOM 0 HG21 THR A 40 -0.759 4.706 -3.791 1.00 0.71 H new ATOM 0 HG22 THR A 40 0.405 3.372 -3.970 1.00 0.71 H new ATOM 0 HG23 THR A 40 -1.127 3.343 -4.874 1.00 0.71 H new ATOM 593 N ALA A 41 -2.857 0.560 -1.421 1.00 0.55 N ATOM 594 CA ALA A 41 -3.338 -0.144 -0.193 1.00 0.56 C ATOM 595 C ALA A 41 -3.202 -1.658 -0.389 1.00 0.51 C ATOM 596 O ALA A 41 -2.831 -2.373 0.525 1.00 0.52 O ATOM 597 CB ALA A 41 -4.805 0.211 0.062 1.00 0.64 C ATOM 0 H ALA A 41 -3.595 0.949 -2.008 1.00 0.55 H new ATOM 0 HA ALA A 41 -2.739 0.168 0.663 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -5.153 -0.303 0.958 1.00 0.64 H new ATOM 0 HB2 ALA A 41 -4.900 1.288 0.202 1.00 0.64 H new ATOM 0 HB3 ALA A 41 -5.408 -0.098 -0.792 1.00 0.64 H new ATOM 603 N VAL A 42 -3.494 -2.149 -1.576 1.00 0.50 N ATOM 604 CA VAL A 42 -3.376 -3.621 -1.842 1.00 0.48 C ATOM 605 C VAL A 42 -1.917 -4.055 -1.631 1.00 0.43 C ATOM 606 O VAL A 42 -1.641 -4.999 -0.912 1.00 0.45 O ATOM 607 CB VAL A 42 -3.800 -3.920 -3.288 1.00 0.52 C ATOM 608 CG1 VAL A 42 -3.610 -5.412 -3.588 1.00 0.55 C ATOM 609 CG2 VAL A 42 -5.276 -3.551 -3.479 1.00 0.62 C ATOM 0 H VAL A 42 -3.809 -1.592 -2.371 1.00 0.50 H new ATOM 0 HA VAL A 42 -4.024 -4.170 -1.159 1.00 0.48 H new ATOM 0 HB VAL A 42 -3.184 -3.332 -3.968 1.00 0.52 H new ATOM 0 HG11 VAL A 42 -3.912 -5.618 -4.615 1.00 0.55 H new ATOM 0 HG12 VAL A 42 -2.561 -5.679 -3.458 1.00 0.55 H new ATOM 0 HG13 VAL A 42 -4.221 -6.001 -2.905 1.00 0.55 H new ATOM 0 HG21 VAL A 42 -5.574 -3.764 -4.505 1.00 0.62 H new ATOM 0 HG22 VAL A 42 -5.889 -4.137 -2.794 1.00 0.62 H new ATOM 0 HG23 VAL A 42 -5.415 -2.490 -3.273 1.00 0.62 H new ATOM 619 N LEU A 43 -0.988 -3.360 -2.247 1.00 0.43 N ATOM 620 CA LEU A 43 0.462 -3.700 -2.093 1.00 0.40 C ATOM 621 C LEU A 43 0.877 -3.538 -0.624 1.00 0.38 C ATOM 622 O LEU A 43 1.690 -4.288 -0.120 1.00 0.39 O ATOM 623 CB LEU A 43 1.297 -2.756 -2.969 1.00 0.44 C ATOM 624 CG LEU A 43 2.703 -3.333 -3.161 1.00 0.47 C ATOM 625 CD1 LEU A 43 3.113 -3.200 -4.631 1.00 0.54 C ATOM 626 CD2 LEU A 43 3.697 -2.564 -2.284 1.00 0.61 C ATOM 0 H LEU A 43 -1.176 -2.564 -2.856 1.00 0.43 H new ATOM 0 HA LEU A 43 0.630 -4.732 -2.402 1.00 0.40 H new ATOM 0 HB2 LEU A 43 0.814 -2.621 -3.937 1.00 0.44 H new ATOM 0 HB3 LEU A 43 1.358 -1.772 -2.504 1.00 0.44 H new ATOM 0 HG LEU A 43 2.705 -4.385 -2.875 1.00 0.47 H new ATOM 0 HD11 LEU A 43 4.113 -3.610 -4.768 1.00 0.54 H new ATOM 0 HD12 LEU A 43 2.407 -3.747 -5.256 1.00 0.54 H new ATOM 0 HD13 LEU A 43 3.110 -2.148 -4.916 1.00 0.54 H new ATOM 0 HD21 LEU A 43 4.697 -2.975 -2.421 1.00 0.61 H new ATOM 0 HD22 LEU A 43 3.695 -1.512 -2.569 1.00 0.61 H new ATOM 0 HD23 LEU A 43 3.407 -2.657 -1.237 1.00 0.61 H new ATOM 638 N LYS A 44 0.318 -2.564 0.061 1.00 0.41 N ATOM 639 CA LYS A 44 0.665 -2.339 1.499 1.00 0.43 C ATOM 640 C LYS A 44 0.224 -3.547 2.335 1.00 0.41 C ATOM 641 O LYS A 44 0.996 -4.089 3.105 1.00 0.43 O ATOM 642 CB LYS A 44 -0.053 -1.081 2.008 1.00 0.51 C ATOM 643 CG LYS A 44 0.980 -0.023 2.405 1.00 0.85 C ATOM 644 CD LYS A 44 0.422 0.842 3.542 1.00 1.54 C ATOM 645 CE LYS A 44 1.507 1.064 4.600 1.00 2.03 C ATOM 646 NZ LYS A 44 0.889 1.091 5.958 1.00 2.74 N ATOM 0 H LYS A 44 -0.368 -1.913 -0.320 1.00 0.41 H new ATOM 0 HA LYS A 44 1.743 -2.209 1.591 1.00 0.43 H new ATOM 0 HB2 LYS A 44 -0.711 -0.688 1.233 1.00 0.51 H new ATOM 0 HB3 LYS A 44 -0.681 -1.330 2.864 1.00 0.51 H new ATOM 0 HG2 LYS A 44 1.905 -0.505 2.722 1.00 0.85 H new ATOM 0 HG3 LYS A 44 1.224 0.602 1.546 1.00 0.85 H new ATOM 0 HD2 LYS A 44 0.081 1.800 3.150 1.00 1.54 H new ATOM 0 HD3 LYS A 44 -0.444 0.355 3.991 1.00 1.54 H new ATOM 0 HE2 LYS A 44 2.251 0.269 4.544 1.00 2.03 H new ATOM 0 HE3 LYS A 44 2.028 2.002 4.409 1.00 2.03 H new ATOM 0 HZ1 LYS A 44 1.629 1.242 6.673 1.00 2.74 H new ATOM 0 HZ2 LYS A 44 0.196 1.865 6.009 1.00 2.74 H new ATOM 0 HZ3 LYS A 44 0.411 0.185 6.140 1.00 2.74 H new ATOM 660 N PHE A 45 -1.014 -3.965 2.191 1.00 0.44 N ATOM 661 CA PHE A 45 -1.527 -5.134 2.974 1.00 0.46 C ATOM 662 C PHE A 45 -0.685 -6.383 2.676 1.00 0.41 C ATOM 663 O PHE A 45 -0.330 -7.122 3.576 1.00 0.45 O ATOM 664 CB PHE A 45 -2.988 -5.399 2.595 1.00 0.55 C ATOM 665 CG PHE A 45 -3.898 -4.715 3.589 1.00 0.84 C ATOM 666 CD1 PHE A 45 -4.106 -5.280 4.853 1.00 1.18 C ATOM 667 CD2 PHE A 45 -4.533 -3.515 3.246 1.00 1.20 C ATOM 668 CE1 PHE A 45 -4.948 -4.647 5.774 1.00 1.56 C ATOM 669 CE2 PHE A 45 -5.375 -2.880 4.169 1.00 1.57 C ATOM 670 CZ PHE A 45 -5.583 -3.447 5.432 1.00 1.67 C ATOM 0 H PHE A 45 -1.694 -3.542 1.560 1.00 0.44 H new ATOM 0 HA PHE A 45 -1.458 -4.907 4.038 1.00 0.46 H new ATOM 0 HB2 PHE A 45 -3.187 -5.029 1.589 1.00 0.55 H new ATOM 0 HB3 PHE A 45 -3.184 -6.471 2.585 1.00 0.55 H new ATOM 0 HD1 PHE A 45 -3.616 -6.205 5.117 1.00 1.18 H new ATOM 0 HD2 PHE A 45 -4.374 -3.079 2.271 1.00 1.20 H new ATOM 0 HE1 PHE A 45 -5.108 -5.084 6.749 1.00 1.56 H new ATOM 0 HE2 PHE A 45 -5.863 -1.953 3.906 1.00 1.57 H new ATOM 0 HZ PHE A 45 -6.233 -2.959 6.143 1.00 1.67 H new ATOM 680 N ALA A 46 -0.359 -6.615 1.424 1.00 0.40 N ATOM 681 CA ALA A 46 0.468 -7.810 1.066 1.00 0.41 C ATOM 682 C ALA A 46 1.865 -7.662 1.682 1.00 0.38 C ATOM 683 O ALA A 46 2.387 -8.588 2.277 1.00 0.42 O ATOM 684 CB ALA A 46 0.585 -7.916 -0.458 1.00 0.47 C ATOM 0 H ALA A 46 -0.631 -6.027 0.636 1.00 0.40 H new ATOM 0 HA ALA A 46 -0.007 -8.712 1.453 1.00 0.41 H new ATOM 0 HB1 ALA A 46 1.188 -8.787 -0.717 1.00 0.47 H new ATOM 0 HB2 ALA A 46 -0.409 -8.020 -0.893 1.00 0.47 H new ATOM 0 HB3 ALA A 46 1.060 -7.017 -0.850 1.00 0.47 H new ATOM 690 N ALA A 47 2.464 -6.499 1.549 1.00 0.36 N ATOM 691 CA ALA A 47 3.825 -6.263 2.127 1.00 0.37 C ATOM 692 C ALA A 47 3.779 -6.390 3.657 1.00 0.38 C ATOM 693 O ALA A 47 4.751 -6.782 4.277 1.00 0.42 O ATOM 694 CB ALA A 47 4.303 -4.857 1.748 1.00 0.39 C ATOM 0 H ALA A 47 2.063 -5.698 1.060 1.00 0.36 H new ATOM 0 HA ALA A 47 4.514 -7.007 1.728 1.00 0.37 H new ATOM 0 HB1 ALA A 47 5.294 -4.684 2.168 1.00 0.39 H new ATOM 0 HB2 ALA A 47 4.349 -4.769 0.663 1.00 0.39 H new ATOM 0 HB3 ALA A 47 3.607 -4.117 2.143 1.00 0.39 H new ATOM 700 N GLU A 48 2.660 -6.059 4.266 1.00 0.41 N ATOM 701 CA GLU A 48 2.539 -6.157 5.757 1.00 0.45 C ATOM 702 C GLU A 48 2.767 -7.611 6.199 1.00 0.44 C ATOM 703 O GLU A 48 3.547 -7.874 7.096 1.00 0.51 O ATOM 704 CB GLU A 48 1.140 -5.702 6.189 1.00 0.54 C ATOM 705 CG GLU A 48 1.237 -4.367 6.938 1.00 0.66 C ATOM 706 CD GLU A 48 0.198 -3.385 6.384 1.00 1.16 C ATOM 707 OE1 GLU A 48 -0.949 -3.469 6.796 1.00 1.60 O ATOM 708 OE2 GLU A 48 0.565 -2.565 5.557 1.00 1.60 O ATOM 0 H GLU A 48 1.823 -5.724 3.790 1.00 0.41 H new ATOM 0 HA GLU A 48 3.288 -5.517 6.223 1.00 0.45 H new ATOM 0 HB2 GLU A 48 0.497 -5.594 5.316 1.00 0.54 H new ATOM 0 HB3 GLU A 48 0.684 -6.457 6.829 1.00 0.54 H new ATOM 0 HG2 GLU A 48 1.070 -4.524 8.004 1.00 0.66 H new ATOM 0 HG3 GLU A 48 2.239 -3.951 6.830 1.00 0.66 H new ATOM 715 N GLU A 49 2.094 -8.551 5.571 1.00 0.43 N ATOM 716 CA GLU A 49 2.269 -9.991 5.941 1.00 0.46 C ATOM 717 C GLU A 49 3.669 -10.465 5.522 1.00 0.47 C ATOM 718 O GLU A 49 4.313 -11.215 6.233 1.00 0.55 O ATOM 719 CB GLU A 49 1.207 -10.834 5.223 1.00 0.51 C ATOM 720 CG GLU A 49 1.280 -12.290 5.706 1.00 0.59 C ATOM 721 CD GLU A 49 1.820 -13.184 4.582 1.00 0.66 C ATOM 722 OE1 GLU A 49 1.023 -13.634 3.774 1.00 0.88 O ATOM 723 OE2 GLU A 49 3.020 -13.406 4.549 1.00 0.81 O ATOM 0 H GLU A 49 1.430 -8.379 4.816 1.00 0.43 H new ATOM 0 HA GLU A 49 2.157 -10.104 7.019 1.00 0.46 H new ATOM 0 HB2 GLU A 49 0.215 -10.427 5.417 1.00 0.51 H new ATOM 0 HB3 GLU A 49 1.364 -10.791 4.145 1.00 0.51 H new ATOM 0 HG2 GLU A 49 1.926 -12.360 6.581 1.00 0.59 H new ATOM 0 HG3 GLU A 49 0.291 -12.632 6.011 1.00 0.59 H new ATOM 730 N PHE A 50 4.137 -10.028 4.374 1.00 0.43 N ATOM 731 CA PHE A 50 5.495 -10.440 3.888 1.00 0.48 C ATOM 732 C PHE A 50 6.594 -9.846 4.786 1.00 0.51 C ATOM 733 O PHE A 50 7.721 -10.305 4.766 1.00 0.61 O ATOM 734 CB PHE A 50 5.695 -9.934 2.456 1.00 0.47 C ATOM 735 CG PHE A 50 4.700 -10.591 1.520 1.00 0.48 C ATOM 736 CD1 PHE A 50 4.240 -11.894 1.765 1.00 0.57 C ATOM 737 CD2 PHE A 50 4.233 -9.887 0.405 1.00 0.53 C ATOM 738 CE1 PHE A 50 3.317 -12.484 0.894 1.00 0.61 C ATOM 739 CE2 PHE A 50 3.312 -10.479 -0.464 1.00 0.60 C ATOM 740 CZ PHE A 50 2.854 -11.777 -0.220 1.00 0.58 C ATOM 0 H PHE A 50 3.632 -9.399 3.749 1.00 0.43 H new ATOM 0 HA PHE A 50 5.561 -11.528 3.918 1.00 0.48 H new ATOM 0 HB2 PHE A 50 5.572 -8.851 2.426 1.00 0.47 H new ATOM 0 HB3 PHE A 50 6.711 -10.149 2.126 1.00 0.47 H new ATOM 0 HD1 PHE A 50 4.598 -12.441 2.625 1.00 0.57 H new ATOM 0 HD2 PHE A 50 4.585 -8.884 0.215 1.00 0.53 H new ATOM 0 HE1 PHE A 50 2.962 -13.486 1.082 1.00 0.61 H new ATOM 0 HE2 PHE A 50 2.954 -9.933 -1.324 1.00 0.60 H new ATOM 0 HZ PHE A 50 2.143 -12.234 -0.892 1.00 0.58 H new ATOM 750 N LYS A 51 6.273 -8.827 5.560 1.00 0.50 N ATOM 751 CA LYS A 51 7.281 -8.179 6.463 1.00 0.59 C ATOM 752 C LYS A 51 8.220 -7.277 5.641 1.00 0.56 C ATOM 753 O LYS A 51 9.388 -7.130 5.954 1.00 0.65 O ATOM 754 CB LYS A 51 8.091 -9.253 7.209 1.00 0.70 C ATOM 755 CG LYS A 51 8.110 -8.932 8.706 1.00 0.89 C ATOM 756 CD LYS A 51 9.457 -9.348 9.305 1.00 1.31 C ATOM 757 CE LYS A 51 10.166 -8.119 9.884 1.00 1.79 C ATOM 758 NZ LYS A 51 11.520 -7.985 9.268 1.00 2.04 N ATOM 0 H LYS A 51 5.341 -8.414 5.602 1.00 0.50 H new ATOM 0 HA LYS A 51 6.757 -7.566 7.196 1.00 0.59 H new ATOM 0 HB2 LYS A 51 7.651 -10.236 7.043 1.00 0.70 H new ATOM 0 HB3 LYS A 51 9.109 -9.290 6.821 1.00 0.70 H new ATOM 0 HG2 LYS A 51 7.945 -7.866 8.861 1.00 0.89 H new ATOM 0 HG3 LYS A 51 7.299 -9.457 9.211 1.00 0.89 H new ATOM 0 HD2 LYS A 51 9.304 -10.093 10.086 1.00 1.31 H new ATOM 0 HD3 LYS A 51 10.079 -9.812 8.539 1.00 1.31 H new ATOM 0 HE2 LYS A 51 9.577 -7.222 9.691 1.00 1.79 H new ATOM 0 HE3 LYS A 51 10.256 -8.214 10.966 1.00 1.79 H new ATOM 0 HZ1 LYS A 51 12.000 -7.151 9.662 1.00 2.04 H new ATOM 0 HZ2 LYS A 51 12.081 -8.836 9.474 1.00 2.04 H new ATOM 0 HZ3 LYS A 51 11.424 -7.875 8.238 1.00 2.04 H new ATOM 772 N VAL A 52 7.707 -6.662 4.597 1.00 0.49 N ATOM 773 CA VAL A 52 8.550 -5.753 3.754 1.00 0.49 C ATOM 774 C VAL A 52 7.911 -4.358 3.703 1.00 0.48 C ATOM 775 O VAL A 52 6.713 -4.219 3.882 1.00 0.51 O ATOM 776 CB VAL A 52 8.661 -6.305 2.323 1.00 0.49 C ATOM 777 CG1 VAL A 52 9.550 -7.547 2.319 1.00 0.65 C ATOM 778 CG2 VAL A 52 7.269 -6.669 1.794 1.00 0.49 C ATOM 0 H VAL A 52 6.737 -6.752 4.293 1.00 0.49 H new ATOM 0 HA VAL A 52 9.545 -5.691 4.195 1.00 0.49 H new ATOM 0 HB VAL A 52 9.100 -5.542 1.680 1.00 0.49 H new ATOM 0 HG11 VAL A 52 9.627 -7.936 1.304 1.00 0.65 H new ATOM 0 HG12 VAL A 52 10.543 -7.285 2.683 1.00 0.65 H new ATOM 0 HG13 VAL A 52 9.115 -8.308 2.967 1.00 0.65 H new ATOM 0 HG21 VAL A 52 7.356 -7.059 0.780 1.00 0.49 H new ATOM 0 HG22 VAL A 52 6.822 -7.427 2.437 1.00 0.49 H new ATOM 0 HG23 VAL A 52 6.638 -5.780 1.788 1.00 0.49 H new ATOM 788 N PRO A 53 8.731 -3.364 3.441 1.00 0.53 N ATOM 789 CA PRO A 53 8.276 -1.966 3.337 1.00 0.58 C ATOM 790 C PRO A 53 7.582 -1.733 1.991 1.00 0.51 C ATOM 791 O PRO A 53 8.150 -1.972 0.939 1.00 0.48 O ATOM 792 CB PRO A 53 9.566 -1.153 3.445 1.00 0.68 C ATOM 793 CG PRO A 53 10.718 -2.108 3.044 1.00 0.70 C ATOM 794 CD PRO A 53 10.183 -3.542 3.224 1.00 0.61 C ATOM 0 HA PRO A 53 7.550 -1.691 4.102 1.00 0.58 H new ATOM 0 HB2 PRO A 53 9.534 -0.285 2.787 1.00 0.68 H new ATOM 0 HB3 PRO A 53 9.706 -0.779 4.459 1.00 0.68 H new ATOM 0 HG2 PRO A 53 11.023 -1.935 2.012 1.00 0.70 H new ATOM 0 HG3 PRO A 53 11.596 -1.940 3.669 1.00 0.70 H new ATOM 0 HD2 PRO A 53 10.382 -4.154 2.345 1.00 0.61 H new ATOM 0 HD3 PRO A 53 10.654 -4.039 4.072 1.00 0.61 H new ATOM 802 N ALA A 54 6.357 -1.272 2.028 1.00 0.60 N ATOM 803 CA ALA A 54 5.593 -1.019 0.763 1.00 0.64 C ATOM 804 C ALA A 54 6.219 0.151 -0.010 1.00 0.66 C ATOM 805 O ALA A 54 6.142 0.205 -1.225 1.00 0.72 O ATOM 806 CB ALA A 54 4.139 -0.685 1.106 1.00 0.83 C ATOM 0 H ALA A 54 5.848 -1.058 2.886 1.00 0.60 H new ATOM 0 HA ALA A 54 5.629 -1.913 0.141 1.00 0.64 H new ATOM 0 HB1 ALA A 54 3.582 -0.501 0.188 1.00 0.83 H new ATOM 0 HB2 ALA A 54 3.690 -1.522 1.641 1.00 0.83 H new ATOM 0 HB3 ALA A 54 4.109 0.206 1.734 1.00 0.83 H new ATOM 812 N ALA A 55 6.832 1.085 0.686 1.00 0.67 N ATOM 813 CA ALA A 55 7.465 2.259 0.003 1.00 0.72 C ATOM 814 C ALA A 55 8.533 1.782 -0.993 1.00 0.64 C ATOM 815 O ALA A 55 8.653 2.318 -2.080 1.00 0.76 O ATOM 816 CB ALA A 55 8.117 3.165 1.051 1.00 0.77 C ATOM 0 H ALA A 55 6.920 1.082 1.702 1.00 0.67 H new ATOM 0 HA ALA A 55 6.697 2.811 -0.538 1.00 0.72 H new ATOM 0 HB1 ALA A 55 8.578 4.020 0.557 1.00 0.77 H new ATOM 0 HB2 ALA A 55 7.359 3.516 1.751 1.00 0.77 H new ATOM 0 HB3 ALA A 55 8.879 2.605 1.593 1.00 0.77 H new ATOM 822 N THR A 56 9.305 0.781 -0.630 1.00 0.52 N ATOM 823 CA THR A 56 10.367 0.267 -1.553 1.00 0.51 C ATOM 824 C THR A 56 10.026 -1.167 -1.990 1.00 0.47 C ATOM 825 O THR A 56 10.871 -2.047 -1.981 1.00 0.51 O ATOM 826 CB THR A 56 11.730 0.294 -0.840 1.00 0.53 C ATOM 827 OG1 THR A 56 11.623 -0.340 0.429 1.00 0.52 O ATOM 828 CG2 THR A 56 12.185 1.742 -0.650 1.00 0.68 C ATOM 0 H THR A 56 9.244 0.299 0.267 1.00 0.52 H new ATOM 0 HA THR A 56 10.417 0.903 -2.437 1.00 0.51 H new ATOM 0 HB THR A 56 12.461 -0.238 -1.449 1.00 0.53 H new ATOM 0 HG1 THR A 56 12.494 -0.322 0.878 1.00 0.52 H new ATOM 0 HG21 THR A 56 13.151 1.757 -0.145 1.00 0.68 H new ATOM 0 HG22 THR A 56 12.277 2.225 -1.623 1.00 0.68 H new ATOM 0 HG23 THR A 56 11.452 2.278 -0.047 1.00 0.68 H new ATOM 836 N SER A 57 8.794 -1.404 -2.379 1.00 0.46 N ATOM 837 CA SER A 57 8.392 -2.776 -2.825 1.00 0.45 C ATOM 838 C SER A 57 7.581 -2.692 -4.121 1.00 0.46 C ATOM 839 O SER A 57 7.033 -1.659 -4.466 1.00 0.62 O ATOM 840 CB SER A 57 7.542 -3.446 -1.744 1.00 0.54 C ATOM 841 OG SER A 57 8.213 -4.604 -1.266 1.00 1.14 O ATOM 0 H SER A 57 8.051 -0.706 -2.407 1.00 0.46 H new ATOM 0 HA SER A 57 9.293 -3.364 -2.999 1.00 0.45 H new ATOM 0 HB2 SER A 57 7.364 -2.751 -0.924 1.00 0.54 H new ATOM 0 HB3 SER A 57 6.567 -3.718 -2.149 1.00 0.54 H new ATOM 0 HG SER A 57 7.670 -5.033 -0.572 1.00 1.14 H new ATOM 847 N ALA A 58 7.502 -3.787 -4.833 1.00 0.44 N ATOM 848 CA ALA A 58 6.732 -3.820 -6.115 1.00 0.48 C ATOM 849 C ALA A 58 6.066 -5.194 -6.271 1.00 0.44 C ATOM 850 O ALA A 58 6.441 -6.151 -5.615 1.00 0.48 O ATOM 851 CB ALA A 58 7.684 -3.574 -7.290 1.00 0.58 C ATOM 0 H ALA A 58 7.943 -4.671 -4.578 1.00 0.44 H new ATOM 0 HA ALA A 58 5.967 -3.044 -6.102 1.00 0.48 H new ATOM 0 HB1 ALA A 58 7.123 -3.598 -8.224 1.00 0.58 H new ATOM 0 HB2 ALA A 58 8.158 -2.599 -7.176 1.00 0.58 H new ATOM 0 HB3 ALA A 58 8.450 -4.350 -7.307 1.00 0.58 H new ATOM 857 N ILE A 59 5.082 -5.299 -7.132 1.00 0.43 N ATOM 858 CA ILE A 59 4.391 -6.610 -7.327 1.00 0.41 C ATOM 859 C ILE A 59 4.291 -6.926 -8.824 1.00 0.47 C ATOM 860 O ILE A 59 3.706 -6.182 -9.582 1.00 0.54 O ATOM 861 CB ILE A 59 2.986 -6.541 -6.705 1.00 0.39 C ATOM 862 CG1 ILE A 59 3.089 -6.782 -5.194 1.00 0.39 C ATOM 863 CG2 ILE A 59 2.079 -7.610 -7.332 1.00 0.42 C ATOM 864 CD1 ILE A 59 1.750 -6.459 -4.525 1.00 0.43 C ATOM 0 H ILE A 59 4.729 -4.534 -7.707 1.00 0.43 H new ATOM 0 HA ILE A 59 4.961 -7.401 -6.839 1.00 0.41 H new ATOM 0 HB ILE A 59 2.558 -5.556 -6.894 1.00 0.39 H new ATOM 0 HG12 ILE A 59 3.362 -7.819 -5.000 1.00 0.39 H new ATOM 0 HG13 ILE A 59 3.877 -6.160 -4.770 1.00 0.39 H new ATOM 0 HG21 ILE A 59 1.087 -7.553 -6.885 1.00 0.42 H new ATOM 0 HG22 ILE A 59 2.004 -7.439 -8.406 1.00 0.42 H new ATOM 0 HG23 ILE A 59 2.502 -8.598 -7.151 1.00 0.42 H new ATOM 0 HD11 ILE A 59 1.828 -6.632 -3.452 1.00 0.43 H new ATOM 0 HD12 ILE A 59 1.495 -5.415 -4.707 1.00 0.43 H new ATOM 0 HD13 ILE A 59 0.972 -7.100 -4.940 1.00 0.43 H new ATOM 876 N ILE A 60 4.845 -8.038 -9.245 1.00 0.50 N ATOM 877 CA ILE A 60 4.774 -8.424 -10.689 1.00 0.57 C ATOM 878 C ILE A 60 3.635 -9.440 -10.886 1.00 0.57 C ATOM 879 O ILE A 60 3.091 -9.961 -9.931 1.00 0.54 O ATOM 880 CB ILE A 60 6.110 -9.042 -11.133 1.00 0.64 C ATOM 881 CG1 ILE A 60 6.360 -10.352 -10.373 1.00 0.68 C ATOM 882 CG2 ILE A 60 7.252 -8.063 -10.845 1.00 0.67 C ATOM 883 CD1 ILE A 60 6.605 -11.484 -11.374 1.00 0.81 C ATOM 0 H ILE A 60 5.345 -8.697 -8.648 1.00 0.50 H new ATOM 0 HA ILE A 60 4.580 -7.538 -11.293 1.00 0.57 H new ATOM 0 HB ILE A 60 6.066 -9.249 -12.202 1.00 0.64 H new ATOM 0 HG12 ILE A 60 7.221 -10.243 -9.713 1.00 0.68 H new ATOM 0 HG13 ILE A 60 5.503 -10.589 -9.743 1.00 0.68 H new ATOM 0 HG21 ILE A 60 8.198 -8.504 -11.161 1.00 0.67 H new ATOM 0 HG22 ILE A 60 7.083 -7.136 -11.393 1.00 0.67 H new ATOM 0 HG23 ILE A 60 7.289 -7.852 -9.776 1.00 0.67 H new ATOM 0 HD11 ILE A 60 6.783 -12.414 -10.835 1.00 0.81 H new ATOM 0 HD12 ILE A 60 5.731 -11.598 -12.016 1.00 0.81 H new ATOM 0 HD13 ILE A 60 7.476 -11.247 -11.985 1.00 0.81 H new ATOM 895 N THR A 61 3.271 -9.721 -12.116 1.00 0.64 N ATOM 896 CA THR A 61 2.164 -10.700 -12.371 1.00 0.66 C ATOM 897 C THR A 61 2.725 -11.970 -13.035 1.00 0.72 C ATOM 898 O THR A 61 3.875 -12.024 -13.433 1.00 0.79 O ATOM 899 CB THR A 61 1.101 -10.049 -13.274 1.00 0.70 C ATOM 900 OG1 THR A 61 0.018 -10.953 -13.468 1.00 0.72 O ATOM 901 CG2 THR A 61 1.708 -9.683 -14.631 1.00 0.78 C ATOM 0 H THR A 61 3.691 -9.316 -12.952 1.00 0.64 H new ATOM 0 HA THR A 61 1.704 -10.980 -11.423 1.00 0.66 H new ATOM 0 HB THR A 61 0.739 -9.141 -12.791 1.00 0.70 H new ATOM 0 HG1 THR A 61 -0.088 -11.136 -14.425 1.00 0.72 H new ATOM 0 HG21 THR A 61 0.945 -9.224 -15.259 1.00 0.78 H new ATOM 0 HG22 THR A 61 2.529 -8.981 -14.485 1.00 0.78 H new ATOM 0 HG23 THR A 61 2.083 -10.584 -15.117 1.00 0.78 H new ATOM 909 N ASN A 62 1.906 -12.994 -13.151 1.00 0.73 N ATOM 910 CA ASN A 62 2.358 -14.277 -13.783 1.00 0.81 C ATOM 911 C ASN A 62 2.690 -14.061 -15.271 1.00 0.87 C ATOM 912 O ASN A 62 3.389 -14.856 -15.873 1.00 0.96 O ATOM 913 CB ASN A 62 1.240 -15.321 -13.659 1.00 0.82 C ATOM 914 CG ASN A 62 1.833 -16.730 -13.752 1.00 0.96 C ATOM 915 OD1 ASN A 62 2.319 -17.264 -12.775 1.00 1.09 O ATOM 916 ND2 ASN A 62 1.811 -17.362 -14.895 1.00 1.18 N ATOM 0 H ASN A 62 0.937 -12.994 -12.832 1.00 0.73 H new ATOM 0 HA ASN A 62 3.255 -14.625 -13.271 1.00 0.81 H new ATOM 0 HB2 ASN A 62 0.719 -15.198 -12.710 1.00 0.82 H new ATOM 0 HB3 ASN A 62 0.503 -15.174 -14.449 1.00 0.82 H new ATOM 0 HD21 ASN A 62 2.201 -18.302 -14.966 1.00 1.18 H new ATOM 0 HD22 ASN A 62 1.403 -16.916 -15.717 1.00 1.18 H new ATOM 923 N ASP A 63 2.195 -12.997 -15.866 1.00 0.87 N ATOM 924 CA ASP A 63 2.478 -12.730 -17.313 1.00 0.96 C ATOM 925 C ASP A 63 3.882 -12.125 -17.474 1.00 1.01 C ATOM 926 O ASP A 63 4.495 -12.247 -18.519 1.00 1.17 O ATOM 927 CB ASP A 63 1.439 -11.745 -17.866 1.00 0.99 C ATOM 928 CG ASP A 63 0.023 -12.257 -17.571 1.00 1.01 C ATOM 929 OD1 ASP A 63 -0.458 -13.085 -18.328 1.00 1.15 O ATOM 930 OD2 ASP A 63 -0.555 -11.810 -16.591 1.00 0.99 O ATOM 0 H ASP A 63 1.606 -12.301 -15.408 1.00 0.87 H new ATOM 0 HA ASP A 63 2.426 -13.670 -17.862 1.00 0.96 H new ATOM 0 HB2 ASP A 63 1.581 -10.763 -17.415 1.00 0.99 H new ATOM 0 HB3 ASP A 63 1.575 -11.625 -18.941 1.00 0.99 H new ATOM 935 N GLY A 64 4.394 -11.476 -16.451 1.00 0.95 N ATOM 936 CA GLY A 64 5.754 -10.862 -16.540 1.00 1.01 C ATOM 937 C GLY A 64 5.626 -9.336 -16.615 1.00 1.00 C ATOM 938 O GLY A 64 6.241 -8.697 -17.449 1.00 1.11 O ATOM 0 H GLY A 64 3.923 -11.347 -15.556 1.00 0.95 H new ATOM 0 HA2 GLY A 64 6.349 -11.145 -15.672 1.00 1.01 H new ATOM 0 HA3 GLY A 64 6.276 -11.237 -17.420 1.00 1.01 H new ATOM 942 N VAL A 65 4.830 -8.755 -15.746 1.00 0.91 N ATOM 943 CA VAL A 65 4.650 -7.269 -15.749 1.00 0.91 C ATOM 944 C VAL A 65 4.846 -6.740 -14.323 1.00 0.82 C ATOM 945 O VAL A 65 4.223 -7.210 -13.390 1.00 0.75 O ATOM 946 CB VAL A 65 3.239 -6.917 -16.241 1.00 0.93 C ATOM 947 CG1 VAL A 65 3.109 -5.398 -16.388 1.00 1.00 C ATOM 948 CG2 VAL A 65 2.986 -7.579 -17.599 1.00 1.06 C ATOM 0 H VAL A 65 4.296 -9.250 -15.032 1.00 0.91 H new ATOM 0 HA VAL A 65 5.382 -6.813 -16.416 1.00 0.91 H new ATOM 0 HB VAL A 65 2.508 -7.278 -15.518 1.00 0.93 H new ATOM 0 HG11 VAL A 65 2.107 -5.151 -16.737 1.00 1.00 H new ATOM 0 HG12 VAL A 65 3.284 -4.923 -15.423 1.00 1.00 H new ATOM 0 HG13 VAL A 65 3.843 -5.038 -17.109 1.00 1.00 H new ATOM 0 HG21 VAL A 65 1.984 -7.327 -17.945 1.00 1.06 H new ATOM 0 HG22 VAL A 65 3.720 -7.221 -18.321 1.00 1.06 H new ATOM 0 HG23 VAL A 65 3.074 -8.661 -17.498 1.00 1.06 H new ATOM 958 N GLY A 66 5.711 -5.766 -14.156 1.00 0.85 N ATOM 959 CA GLY A 66 5.965 -5.196 -12.801 1.00 0.77 C ATOM 960 C GLY A 66 4.822 -4.256 -12.416 1.00 0.74 C ATOM 961 O GLY A 66 4.883 -3.062 -12.651 1.00 0.80 O ATOM 0 H GLY A 66 6.254 -5.341 -14.908 1.00 0.85 H new ATOM 0 HA2 GLY A 66 6.051 -5.998 -12.068 1.00 0.77 H new ATOM 0 HA3 GLY A 66 6.911 -4.655 -12.795 1.00 0.77 H new ATOM 965 N VAL A 67 3.785 -4.793 -11.822 1.00 0.67 N ATOM 966 CA VAL A 67 2.619 -3.953 -11.405 1.00 0.67 C ATOM 967 C VAL A 67 3.064 -2.966 -10.319 1.00 0.63 C ATOM 968 O VAL A 67 3.669 -3.345 -9.329 1.00 0.61 O ATOM 969 CB VAL A 67 1.494 -4.841 -10.853 1.00 0.63 C ATOM 970 CG1 VAL A 67 0.209 -4.020 -10.725 1.00 0.71 C ATOM 971 CG2 VAL A 67 1.252 -6.020 -11.802 1.00 0.67 C ATOM 0 H VAL A 67 3.696 -5.786 -11.606 1.00 0.67 H new ATOM 0 HA VAL A 67 2.248 -3.407 -12.273 1.00 0.67 H new ATOM 0 HB VAL A 67 1.784 -5.219 -9.873 1.00 0.63 H new ATOM 0 HG11 VAL A 67 -0.589 -4.651 -10.333 1.00 0.71 H new ATOM 0 HG12 VAL A 67 0.377 -3.184 -10.046 1.00 0.71 H new ATOM 0 HG13 VAL A 67 -0.078 -3.639 -11.705 1.00 0.71 H new ATOM 0 HG21 VAL A 67 0.453 -6.647 -11.407 1.00 0.67 H new ATOM 0 HG22 VAL A 67 0.965 -5.644 -12.784 1.00 0.67 H new ATOM 0 HG23 VAL A 67 2.165 -6.609 -11.891 1.00 0.67 H new ATOM 981 N ASN A 68 2.764 -1.705 -10.505 1.00 0.66 N ATOM 982 CA ASN A 68 3.157 -0.671 -9.500 1.00 0.64 C ATOM 983 C ASN A 68 1.924 -0.243 -8.689 1.00 0.62 C ATOM 984 O ASN A 68 0.801 -0.453 -9.115 1.00 0.65 O ATOM 985 CB ASN A 68 3.740 0.546 -10.228 1.00 0.69 C ATOM 986 CG ASN A 68 5.135 0.208 -10.762 1.00 0.82 C ATOM 987 OD1 ASN A 68 6.065 0.032 -9.999 1.00 0.96 O ATOM 988 ND2 ASN A 68 5.321 0.110 -12.051 1.00 1.05 N ATOM 0 H ASN A 68 2.260 -1.345 -11.316 1.00 0.66 H new ATOM 0 HA ASN A 68 3.905 -1.086 -8.824 1.00 0.64 H new ATOM 0 HB2 ASN A 68 3.086 0.838 -11.050 1.00 0.69 H new ATOM 0 HB3 ASN A 68 3.796 1.396 -9.548 1.00 0.69 H new ATOM 0 HD21 ASN A 68 6.246 -0.114 -12.417 1.00 1.05 H new ATOM 0 HD22 ASN A 68 4.541 0.258 -12.692 1.00 1.05 H new ATOM 995 N PRO A 69 2.174 0.351 -7.541 1.00 0.60 N ATOM 996 CA PRO A 69 1.107 0.831 -6.639 1.00 0.61 C ATOM 997 C PRO A 69 0.519 2.151 -7.169 1.00 0.64 C ATOM 998 O PRO A 69 0.615 3.189 -6.539 1.00 0.67 O ATOM 999 CB PRO A 69 1.832 1.029 -5.301 1.00 0.61 C ATOM 1000 CG PRO A 69 3.332 1.203 -5.637 1.00 0.61 C ATOM 1001 CD PRO A 69 3.543 0.598 -7.038 1.00 0.60 C ATOM 0 HA PRO A 69 0.264 0.145 -6.553 1.00 0.61 H new ATOM 0 HB2 PRO A 69 1.448 1.904 -4.777 1.00 0.61 H new ATOM 0 HB3 PRO A 69 1.678 0.172 -4.646 1.00 0.61 H new ATOM 0 HG2 PRO A 69 3.612 2.256 -5.624 1.00 0.61 H new ATOM 0 HG3 PRO A 69 3.955 0.698 -4.899 1.00 0.61 H new ATOM 0 HD2 PRO A 69 4.088 1.282 -7.688 1.00 0.60 H new ATOM 0 HD3 PRO A 69 4.121 -0.325 -6.990 1.00 0.60 H new ATOM 1009 N ALA A 70 -0.086 2.106 -8.333 1.00 0.66 N ATOM 1010 CA ALA A 70 -0.688 3.339 -8.932 1.00 0.71 C ATOM 1011 C ALA A 70 -1.839 2.951 -9.881 1.00 0.75 C ATOM 1012 O ALA A 70 -2.104 3.630 -10.858 1.00 0.88 O ATOM 1013 CB ALA A 70 0.394 4.101 -9.709 1.00 0.76 C ATOM 0 H ALA A 70 -0.189 1.262 -8.897 1.00 0.66 H new ATOM 0 HA ALA A 70 -1.084 3.974 -8.140 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -0.038 5.000 -10.148 1.00 0.76 H new ATOM 0 HB2 ALA A 70 1.201 4.380 -9.031 1.00 0.76 H new ATOM 0 HB3 ALA A 70 0.789 3.465 -10.501 1.00 0.76 H new ATOM 1019 N GLN A 71 -2.524 1.864 -9.593 1.00 0.70 N ATOM 1020 CA GLN A 71 -3.657 1.421 -10.466 1.00 0.73 C ATOM 1021 C GLN A 71 -4.836 0.964 -9.593 1.00 0.71 C ATOM 1022 O GLN A 71 -4.645 0.569 -8.458 1.00 0.69 O ATOM 1023 CB GLN A 71 -3.195 0.252 -11.345 1.00 0.74 C ATOM 1024 CG GLN A 71 -2.282 0.767 -12.460 1.00 0.79 C ATOM 1025 CD GLN A 71 -1.413 -0.383 -12.980 1.00 0.90 C ATOM 1026 OE1 GLN A 71 -1.757 -1.028 -13.950 1.00 1.21 O ATOM 1027 NE2 GLN A 71 -0.294 -0.668 -12.369 1.00 1.11 N ATOM 0 H GLN A 71 -2.344 1.265 -8.787 1.00 0.70 H new ATOM 0 HA GLN A 71 -3.973 2.253 -11.096 1.00 0.73 H new ATOM 0 HB2 GLN A 71 -2.664 -0.482 -10.739 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -4.059 -0.254 -11.775 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -2.880 1.181 -13.272 1.00 0.79 H new ATOM 0 HG3 GLN A 71 -1.651 1.573 -12.085 1.00 0.79 H new ATOM 0 HE21 GLN A 71 -0.005 -0.126 -11.554 1.00 1.11 H new ATOM 0 HE22 GLN A 71 0.291 -1.432 -12.707 1.00 1.11 H new ATOM 1036 N PRO A 72 -6.023 1.023 -10.155 1.00 0.76 N ATOM 1037 CA PRO A 72 -7.258 0.612 -9.455 1.00 0.77 C ATOM 1038 C PRO A 72 -7.366 -0.919 -9.415 1.00 0.75 C ATOM 1039 O PRO A 72 -6.937 -1.603 -10.327 1.00 0.77 O ATOM 1040 CB PRO A 72 -8.375 1.224 -10.303 1.00 0.86 C ATOM 1041 CG PRO A 72 -7.777 1.460 -11.710 1.00 0.89 C ATOM 1042 CD PRO A 72 -6.246 1.501 -11.538 1.00 0.83 C ATOM 0 HA PRO A 72 -7.295 0.943 -8.417 1.00 0.77 H new ATOM 0 HB2 PRO A 72 -9.235 0.556 -10.354 1.00 0.86 H new ATOM 0 HB3 PRO A 72 -8.724 2.160 -9.868 1.00 0.86 H new ATOM 0 HG2 PRO A 72 -8.069 0.663 -12.393 1.00 0.89 H new ATOM 0 HG3 PRO A 72 -8.144 2.394 -12.135 1.00 0.89 H new ATOM 0 HD2 PRO A 72 -5.746 0.862 -12.266 1.00 0.83 H new ATOM 0 HD3 PRO A 72 -5.856 2.509 -11.679 1.00 0.83 H new ATOM 1050 N ALA A 73 -7.933 -1.454 -8.356 1.00 0.73 N ATOM 1051 CA ALA A 73 -8.076 -2.942 -8.224 1.00 0.71 C ATOM 1052 C ALA A 73 -8.752 -3.528 -9.474 1.00 0.74 C ATOM 1053 O ALA A 73 -8.359 -4.573 -9.960 1.00 0.75 O ATOM 1054 CB ALA A 73 -8.922 -3.263 -6.987 1.00 0.72 C ATOM 0 H ALA A 73 -8.305 -0.919 -7.572 1.00 0.73 H new ATOM 0 HA ALA A 73 -7.085 -3.385 -8.120 1.00 0.71 H new ATOM 0 HB1 ALA A 73 -9.028 -4.343 -6.889 1.00 0.72 H new ATOM 0 HB2 ALA A 73 -8.433 -2.864 -6.098 1.00 0.72 H new ATOM 0 HB3 ALA A 73 -9.908 -2.810 -7.093 1.00 0.72 H new ATOM 1060 N GLY A 74 -9.760 -2.862 -9.994 1.00 0.77 N ATOM 1061 CA GLY A 74 -10.462 -3.370 -11.214 1.00 0.82 C ATOM 1062 C GLY A 74 -9.468 -3.495 -12.376 1.00 0.83 C ATOM 1063 O GLY A 74 -9.432 -4.500 -13.062 1.00 0.85 O ATOM 0 H GLY A 74 -10.126 -1.985 -9.622 1.00 0.77 H new ATOM 0 HA2 GLY A 74 -10.915 -4.339 -11.006 1.00 0.82 H new ATOM 0 HA3 GLY A 74 -11.271 -2.692 -11.487 1.00 0.82 H new ATOM 1067 N ASN A 75 -8.660 -2.480 -12.596 1.00 0.83 N ATOM 1068 CA ASN A 75 -7.659 -2.528 -13.709 1.00 0.85 C ATOM 1069 C ASN A 75 -6.579 -3.576 -13.402 1.00 0.81 C ATOM 1070 O ASN A 75 -6.080 -4.232 -14.297 1.00 0.82 O ATOM 1071 CB ASN A 75 -7.003 -1.153 -13.868 1.00 0.88 C ATOM 1072 CG ASN A 75 -6.211 -1.109 -15.178 1.00 1.12 C ATOM 1073 OD1 ASN A 75 -5.011 -1.299 -15.183 1.00 1.33 O ATOM 1074 ND2 ASN A 75 -6.837 -0.866 -16.299 1.00 1.49 N ATOM 0 H ASN A 75 -8.653 -1.619 -12.049 1.00 0.83 H new ATOM 0 HA ASN A 75 -8.169 -2.800 -14.633 1.00 0.85 H new ATOM 0 HB2 ASN A 75 -7.765 -0.373 -13.866 1.00 0.88 H new ATOM 0 HB3 ASN A 75 -6.341 -0.955 -13.025 1.00 0.88 H new ATOM 0 HD21 ASN A 75 -6.318 -0.836 -17.177 1.00 1.49 H new ATOM 0 HD22 ASN A 75 -7.844 -0.706 -16.296 1.00 1.49 H new ATOM 1081 N ILE A 76 -6.218 -3.735 -12.147 1.00 0.78 N ATOM 1082 CA ILE A 76 -5.170 -4.740 -11.775 1.00 0.76 C ATOM 1083 C ILE A 76 -5.625 -6.144 -12.204 1.00 0.75 C ATOM 1084 O ILE A 76 -4.843 -6.926 -12.709 1.00 0.77 O ATOM 1085 CB ILE A 76 -4.947 -4.711 -10.254 1.00 0.74 C ATOM 1086 CG1 ILE A 76 -4.350 -3.355 -9.845 1.00 0.74 C ATOM 1087 CG2 ILE A 76 -3.992 -5.839 -9.843 1.00 0.73 C ATOM 1088 CD1 ILE A 76 -2.947 -3.190 -10.443 1.00 0.73 C ATOM 0 H ILE A 76 -6.606 -3.210 -11.364 1.00 0.78 H new ATOM 0 HA ILE A 76 -4.237 -4.494 -12.282 1.00 0.76 H new ATOM 0 HB ILE A 76 -5.904 -4.852 -9.751 1.00 0.74 H new ATOM 0 HG12 ILE A 76 -4.996 -2.547 -10.188 1.00 0.74 H new ATOM 0 HG13 ILE A 76 -4.300 -3.284 -8.758 1.00 0.74 H new ATOM 0 HG21 ILE A 76 -3.839 -5.811 -8.764 1.00 0.73 H new ATOM 0 HG22 ILE A 76 -4.422 -6.800 -10.124 1.00 0.73 H new ATOM 0 HG23 ILE A 76 -3.035 -5.708 -10.348 1.00 0.73 H new ATOM 0 HD11 ILE A 76 -2.536 -2.225 -10.145 1.00 0.73 H new ATOM 0 HD12 ILE A 76 -2.300 -3.988 -10.079 1.00 0.73 H new ATOM 0 HD13 ILE A 76 -3.007 -3.239 -11.530 1.00 0.73 H new ATOM 1100 N PHE A 77 -6.885 -6.460 -12.007 1.00 0.75 N ATOM 1101 CA PHE A 77 -7.405 -7.807 -12.401 1.00 0.75 C ATOM 1102 C PHE A 77 -7.615 -7.867 -13.922 1.00 0.81 C ATOM 1103 O PHE A 77 -7.343 -8.874 -14.551 1.00 0.85 O ATOM 1104 CB PHE A 77 -8.742 -8.057 -11.693 1.00 0.75 C ATOM 1105 CG PHE A 77 -8.999 -9.543 -11.590 1.00 0.72 C ATOM 1106 CD1 PHE A 77 -9.485 -10.248 -12.699 1.00 0.90 C ATOM 1107 CD2 PHE A 77 -8.755 -10.216 -10.387 1.00 0.76 C ATOM 1108 CE1 PHE A 77 -9.726 -11.624 -12.603 1.00 0.95 C ATOM 1109 CE2 PHE A 77 -8.997 -11.591 -10.292 1.00 0.80 C ATOM 1110 CZ PHE A 77 -9.481 -12.295 -11.400 1.00 0.84 C ATOM 0 H PHE A 77 -7.577 -5.839 -11.588 1.00 0.75 H new ATOM 0 HA PHE A 77 -6.682 -8.570 -12.111 1.00 0.75 H new ATOM 0 HB2 PHE A 77 -8.725 -7.612 -10.698 1.00 0.75 H new ATOM 0 HB3 PHE A 77 -9.551 -7.576 -12.244 1.00 0.75 H new ATOM 0 HD1 PHE A 77 -9.674 -9.730 -13.628 1.00 0.90 H new ATOM 0 HD2 PHE A 77 -8.380 -9.674 -9.532 1.00 0.76 H new ATOM 0 HE1 PHE A 77 -10.101 -12.167 -13.458 1.00 0.95 H new ATOM 0 HE2 PHE A 77 -8.810 -12.109 -9.363 1.00 0.80 H new ATOM 0 HZ PHE A 77 -9.666 -13.357 -11.327 1.00 0.84 H new ATOM 1120 N LEU A 78 -8.105 -6.800 -14.511 1.00 0.83 N ATOM 1121 CA LEU A 78 -8.351 -6.786 -15.990 1.00 0.90 C ATOM 1122 C LEU A 78 -7.022 -6.840 -16.761 1.00 0.90 C ATOM 1123 O LEU A 78 -6.927 -7.486 -17.789 1.00 1.00 O ATOM 1124 CB LEU A 78 -9.098 -5.502 -16.371 1.00 0.94 C ATOM 1125 CG LEU A 78 -10.542 -5.566 -15.859 1.00 0.95 C ATOM 1126 CD1 LEU A 78 -11.147 -4.159 -15.858 1.00 1.02 C ATOM 1127 CD2 LEU A 78 -11.372 -6.476 -16.772 1.00 1.08 C ATOM 0 H LEU A 78 -8.346 -5.934 -14.028 1.00 0.83 H new ATOM 0 HA LEU A 78 -8.948 -7.660 -16.251 1.00 0.90 H new ATOM 0 HB2 LEU A 78 -8.590 -4.636 -15.946 1.00 0.94 H new ATOM 0 HB3 LEU A 78 -9.092 -5.375 -17.454 1.00 0.94 H new ATOM 0 HG LEU A 78 -10.548 -5.966 -14.845 1.00 0.95 H new ATOM 0 HD11 LEU A 78 -12.173 -4.205 -15.494 1.00 1.02 H new ATOM 0 HD12 LEU A 78 -10.560 -3.511 -15.207 1.00 1.02 H new ATOM 0 HD13 LEU A 78 -11.139 -3.759 -16.872 1.00 1.02 H new ATOM 0 HD21 LEU A 78 -12.398 -6.520 -16.406 1.00 1.08 H new ATOM 0 HD22 LEU A 78 -11.365 -6.077 -17.786 1.00 1.08 H new ATOM 0 HD23 LEU A 78 -10.944 -7.478 -16.773 1.00 1.08 H new ATOM 1139 N LYS A 79 -6.009 -6.154 -16.286 1.00 0.85 N ATOM 1140 CA LYS A 79 -4.694 -6.147 -17.002 1.00 0.86 C ATOM 1141 C LYS A 79 -3.819 -7.325 -16.551 1.00 0.84 C ATOM 1142 O LYS A 79 -3.313 -8.072 -17.369 1.00 0.89 O ATOM 1143 CB LYS A 79 -3.962 -4.833 -16.704 1.00 0.85 C ATOM 1144 CG LYS A 79 -3.663 -4.104 -18.015 1.00 1.17 C ATOM 1145 CD LYS A 79 -2.738 -2.913 -17.741 1.00 1.41 C ATOM 1146 CE LYS A 79 -1.501 -3.004 -18.642 1.00 1.54 C ATOM 1147 NZ LYS A 79 -0.271 -3.158 -17.807 1.00 1.91 N ATOM 0 H LYS A 79 -6.037 -5.598 -15.432 1.00 0.85 H new ATOM 0 HA LYS A 79 -4.881 -6.241 -18.072 1.00 0.86 H new ATOM 0 HB2 LYS A 79 -4.573 -4.203 -16.057 1.00 0.85 H new ATOM 0 HB3 LYS A 79 -3.034 -5.035 -16.169 1.00 0.85 H new ATOM 0 HG2 LYS A 79 -3.194 -4.786 -18.724 1.00 1.17 H new ATOM 0 HG3 LYS A 79 -4.591 -3.759 -18.471 1.00 1.17 H new ATOM 0 HD2 LYS A 79 -3.267 -1.978 -17.926 1.00 1.41 H new ATOM 0 HD3 LYS A 79 -2.437 -2.907 -16.693 1.00 1.41 H new ATOM 0 HE2 LYS A 79 -1.597 -3.851 -19.322 1.00 1.54 H new ATOM 0 HE3 LYS A 79 -1.423 -2.108 -19.258 1.00 1.54 H new ATOM 0 HZ1 LYS A 79 0.563 -3.219 -18.425 1.00 1.91 H new ATOM 0 HZ2 LYS A 79 -0.175 -2.337 -17.176 1.00 1.91 H new ATOM 0 HZ3 LYS A 79 -0.344 -4.025 -17.238 1.00 1.91 H new ATOM 1161 N HIS A 80 -3.618 -7.479 -15.264 1.00 0.80 N ATOM 1162 CA HIS A 80 -2.748 -8.590 -14.759 1.00 0.80 C ATOM 1163 C HIS A 80 -3.598 -9.823 -14.425 1.00 0.78 C ATOM 1164 O HIS A 80 -3.437 -10.869 -15.028 1.00 0.87 O ATOM 1165 CB HIS A 80 -1.992 -8.120 -13.509 1.00 0.81 C ATOM 1166 CG HIS A 80 -1.435 -6.741 -13.748 1.00 0.84 C ATOM 1167 ND1 HIS A 80 -0.418 -6.499 -14.658 1.00 0.90 N ATOM 1168 CD2 HIS A 80 -1.759 -5.518 -13.214 1.00 0.89 C ATOM 1169 CE1 HIS A 80 -0.171 -5.176 -14.648 1.00 0.95 C ATOM 1170 NE2 HIS A 80 -0.960 -4.532 -13.785 1.00 0.94 N ATOM 0 H HIS A 80 -4.019 -6.883 -14.540 1.00 0.80 H new ATOM 0 HA HIS A 80 -2.032 -8.862 -15.535 1.00 0.80 H new ATOM 0 HB2 HIS A 80 -2.661 -8.109 -12.649 1.00 0.81 H new ATOM 0 HB3 HIS A 80 -1.185 -8.815 -13.276 1.00 0.81 H new ATOM 0 HD1 HIS A 80 0.057 -7.197 -15.231 1.00 0.90 H new ATOM 0 HD2 HIS A 80 -2.518 -5.347 -12.465 1.00 0.89 H new ATOM 0 HE1 HIS A 80 0.575 -4.694 -15.263 1.00 0.95 H new ATOM 1178 N GLY A 81 -4.496 -9.710 -13.473 1.00 0.74 N ATOM 1179 CA GLY A 81 -5.356 -10.878 -13.100 1.00 0.73 C ATOM 1180 C GLY A 81 -5.341 -11.071 -11.579 1.00 0.67 C ATOM 1181 O GLY A 81 -5.464 -10.124 -10.824 1.00 0.80 O ATOM 0 H GLY A 81 -4.670 -8.859 -12.939 1.00 0.74 H new ATOM 0 HA2 GLY A 81 -6.377 -10.714 -13.445 1.00 0.73 H new ATOM 0 HA3 GLY A 81 -4.994 -11.780 -13.594 1.00 0.73 H new ATOM 1185 N SER A 82 -5.198 -12.298 -11.130 1.00 0.58 N ATOM 1186 CA SER A 82 -5.182 -12.575 -9.657 1.00 0.54 C ATOM 1187 C SER A 82 -3.796 -13.078 -9.228 1.00 0.48 C ATOM 1188 O SER A 82 -3.250 -12.627 -8.237 1.00 0.50 O ATOM 1189 CB SER A 82 -6.239 -13.635 -9.319 1.00 0.57 C ATOM 1190 OG SER A 82 -6.060 -14.774 -10.152 1.00 0.62 O ATOM 0 H SER A 82 -5.091 -13.121 -11.723 1.00 0.58 H new ATOM 0 HA SER A 82 -5.407 -11.652 -9.122 1.00 0.54 H new ATOM 0 HB2 SER A 82 -6.157 -13.923 -8.271 1.00 0.57 H new ATOM 0 HB3 SER A 82 -7.238 -13.223 -9.459 1.00 0.57 H new ATOM 0 HG SER A 82 -6.735 -15.449 -9.932 1.00 0.62 H new ATOM 1196 N GLU A 83 -3.227 -14.011 -9.962 1.00 0.49 N ATOM 1197 CA GLU A 83 -1.879 -14.551 -9.595 1.00 0.48 C ATOM 1198 C GLU A 83 -0.823 -13.445 -9.719 1.00 0.49 C ATOM 1199 O GLU A 83 -0.522 -12.977 -10.805 1.00 0.60 O ATOM 1200 CB GLU A 83 -1.517 -15.716 -10.524 1.00 0.55 C ATOM 1201 CG GLU A 83 -0.704 -16.762 -9.749 1.00 0.62 C ATOM 1202 CD GLU A 83 0.650 -16.170 -9.332 1.00 0.77 C ATOM 1203 OE1 GLU A 83 1.505 -16.027 -10.193 1.00 0.95 O ATOM 1204 OE2 GLU A 83 0.809 -15.872 -8.159 1.00 1.01 O ATOM 0 H GLU A 83 -3.641 -14.420 -10.800 1.00 0.49 H new ATOM 0 HA GLU A 83 -1.906 -14.907 -8.565 1.00 0.48 H new ATOM 0 HB2 GLU A 83 -2.424 -16.170 -10.925 1.00 0.55 H new ATOM 0 HB3 GLU A 83 -0.941 -15.350 -11.374 1.00 0.55 H new ATOM 0 HG2 GLU A 83 -1.257 -17.084 -8.867 1.00 0.62 H new ATOM 0 HG3 GLU A 83 -0.549 -17.646 -10.368 1.00 0.62 H new ATOM 1211 N LEU A 84 -0.260 -13.033 -8.608 1.00 0.42 N ATOM 1212 CA LEU A 84 0.783 -11.960 -8.631 1.00 0.43 C ATOM 1213 C LEU A 84 1.952 -12.353 -7.714 1.00 0.41 C ATOM 1214 O LEU A 84 1.820 -13.202 -6.850 1.00 0.46 O ATOM 1215 CB LEU A 84 0.170 -10.642 -8.143 1.00 0.46 C ATOM 1216 CG LEU A 84 -0.755 -10.068 -9.224 1.00 0.54 C ATOM 1217 CD1 LEU A 84 -2.027 -9.519 -8.572 1.00 0.84 C ATOM 1218 CD2 LEU A 84 -0.038 -8.936 -9.965 1.00 0.70 C ATOM 0 H LEU A 84 -0.480 -13.397 -7.681 1.00 0.42 H new ATOM 0 HA LEU A 84 1.151 -11.836 -9.650 1.00 0.43 H new ATOM 0 HB2 LEU A 84 -0.390 -10.809 -7.223 1.00 0.46 H new ATOM 0 HB3 LEU A 84 0.959 -9.927 -7.910 1.00 0.46 H new ATOM 0 HG LEU A 84 -1.017 -10.857 -9.929 1.00 0.54 H new ATOM 0 HD11 LEU A 84 -2.683 -9.111 -9.341 1.00 0.84 H new ATOM 0 HD12 LEU A 84 -2.541 -10.322 -8.044 1.00 0.84 H new ATOM 0 HD13 LEU A 84 -1.763 -8.732 -7.866 1.00 0.84 H new ATOM 0 HD21 LEU A 84 -0.696 -8.529 -10.733 1.00 0.70 H new ATOM 0 HD22 LEU A 84 0.226 -8.149 -9.259 1.00 0.70 H new ATOM 0 HD23 LEU A 84 0.868 -9.323 -10.432 1.00 0.70 H new ATOM 1230 N ARG A 85 3.093 -11.733 -7.902 1.00 0.45 N ATOM 1231 CA ARG A 85 4.290 -12.041 -7.057 1.00 0.46 C ATOM 1232 C ARG A 85 4.804 -10.741 -6.425 1.00 0.41 C ATOM 1233 O ARG A 85 4.727 -9.686 -7.026 1.00 0.48 O ATOM 1234 CB ARG A 85 5.391 -12.649 -7.936 1.00 0.56 C ATOM 1235 CG ARG A 85 5.482 -14.161 -7.691 1.00 0.61 C ATOM 1236 CD ARG A 85 4.313 -14.873 -8.380 1.00 0.61 C ATOM 1237 NE ARG A 85 4.377 -14.639 -9.852 1.00 0.84 N ATOM 1238 CZ ARG A 85 5.064 -15.448 -10.614 1.00 0.98 C ATOM 1239 NH1 ARG A 85 4.512 -16.538 -11.074 1.00 1.24 N ATOM 1240 NH2 ARG A 85 6.303 -15.165 -10.915 1.00 1.27 N ATOM 0 H ARG A 85 3.247 -11.018 -8.613 1.00 0.45 H new ATOM 0 HA ARG A 85 4.017 -12.749 -6.275 1.00 0.46 H new ATOM 0 HB2 ARG A 85 5.178 -12.455 -8.987 1.00 0.56 H new ATOM 0 HB3 ARG A 85 6.348 -12.178 -7.713 1.00 0.56 H new ATOM 0 HG2 ARG A 85 6.428 -14.544 -8.073 1.00 0.61 H new ATOM 0 HG3 ARG A 85 5.464 -14.366 -6.621 1.00 0.61 H new ATOM 0 HD2 ARG A 85 4.352 -15.942 -8.170 1.00 0.61 H new ATOM 0 HD3 ARG A 85 3.366 -14.504 -7.985 1.00 0.61 H new ATOM 0 HE ARG A 85 3.884 -13.847 -10.264 1.00 0.84 H new ATOM 0 HH11 ARG A 85 3.544 -16.758 -10.839 1.00 1.24 H new ATOM 0 HH12 ARG A 85 5.048 -17.169 -11.669 1.00 1.24 H new ATOM 0 HH21 ARG A 85 6.733 -14.313 -10.555 1.00 1.27 H new ATOM 0 HH22 ARG A 85 6.840 -15.796 -11.510 1.00 1.27 H new ATOM 1254 N LEU A 86 5.327 -10.802 -5.222 1.00 0.43 N ATOM 1255 CA LEU A 86 5.841 -9.559 -4.567 1.00 0.40 C ATOM 1256 C LEU A 86 7.373 -9.553 -4.584 1.00 0.45 C ATOM 1257 O LEU A 86 8.015 -10.506 -4.176 1.00 0.62 O ATOM 1258 CB LEU A 86 5.347 -9.483 -3.119 1.00 0.43 C ATOM 1259 CG LEU A 86 5.606 -8.073 -2.570 1.00 0.52 C ATOM 1260 CD1 LEU A 86 4.306 -7.484 -2.014 1.00 0.59 C ATOM 1261 CD2 LEU A 86 6.656 -8.142 -1.457 1.00 0.69 C ATOM 0 H LEU A 86 5.419 -11.654 -4.669 1.00 0.43 H new ATOM 0 HA LEU A 86 5.470 -8.695 -5.119 1.00 0.40 H new ATOM 0 HB2 LEU A 86 4.283 -9.714 -3.073 1.00 0.43 H new ATOM 0 HB3 LEU A 86 5.861 -10.224 -2.507 1.00 0.43 H new ATOM 0 HG LEU A 86 5.971 -7.436 -3.375 1.00 0.52 H new ATOM 0 HD11 LEU A 86 4.497 -6.483 -1.626 1.00 0.59 H new ATOM 0 HD12 LEU A 86 3.562 -7.429 -2.809 1.00 0.59 H new ATOM 0 HD13 LEU A 86 3.933 -8.120 -1.211 1.00 0.59 H new ATOM 0 HD21 LEU A 86 6.840 -7.141 -1.067 1.00 0.69 H new ATOM 0 HD22 LEU A 86 6.293 -8.783 -0.654 1.00 0.69 H new ATOM 0 HD23 LEU A 86 7.584 -8.552 -1.857 1.00 0.69 H new ATOM 1273 N ILE A 87 7.956 -8.471 -5.044 1.00 0.45 N ATOM 1274 CA ILE A 87 9.446 -8.361 -5.090 1.00 0.51 C ATOM 1275 C ILE A 87 9.869 -7.008 -4.490 1.00 0.48 C ATOM 1276 O ILE A 87 9.405 -5.969 -4.923 1.00 0.49 O ATOM 1277 CB ILE A 87 9.940 -8.474 -6.544 1.00 0.60 C ATOM 1278 CG1 ILE A 87 11.443 -8.166 -6.599 1.00 0.73 C ATOM 1279 CG2 ILE A 87 9.183 -7.486 -7.442 1.00 0.64 C ATOM 1280 CD1 ILE A 87 12.011 -8.605 -7.951 1.00 0.85 C ATOM 0 H ILE A 87 7.457 -7.653 -5.392 1.00 0.45 H new ATOM 0 HA ILE A 87 9.890 -9.171 -4.511 1.00 0.51 H new ATOM 0 HB ILE A 87 9.758 -9.488 -6.901 1.00 0.60 H new ATOM 0 HG12 ILE A 87 11.611 -7.099 -6.452 1.00 0.73 H new ATOM 0 HG13 ILE A 87 11.960 -8.684 -5.791 1.00 0.73 H new ATOM 0 HG21 ILE A 87 9.543 -7.577 -8.467 1.00 0.64 H new ATOM 0 HG22 ILE A 87 8.117 -7.709 -7.410 1.00 0.64 H new ATOM 0 HG23 ILE A 87 9.352 -6.469 -7.087 1.00 0.64 H new ATOM 0 HD11 ILE A 87 13.078 -8.385 -7.986 1.00 0.85 H new ATOM 0 HD12 ILE A 87 11.857 -9.676 -8.080 1.00 0.85 H new ATOM 0 HD13 ILE A 87 11.503 -8.067 -8.751 1.00 0.85 H new ATOM 1292 N PRO A 88 10.736 -7.066 -3.504 1.00 0.53 N ATOM 1293 CA PRO A 88 11.241 -5.862 -2.814 1.00 0.54 C ATOM 1294 C PRO A 88 12.309 -5.150 -3.658 1.00 0.60 C ATOM 1295 O PRO A 88 13.241 -5.767 -4.149 1.00 0.76 O ATOM 1296 CB PRO A 88 11.849 -6.417 -1.524 1.00 0.67 C ATOM 1297 CG PRO A 88 12.174 -7.902 -1.798 1.00 0.75 C ATOM 1298 CD PRO A 88 11.294 -8.335 -2.984 1.00 0.65 C ATOM 0 HA PRO A 88 10.462 -5.121 -2.634 1.00 0.54 H new ATOM 0 HB2 PRO A 88 12.749 -5.867 -1.251 1.00 0.67 H new ATOM 0 HB3 PRO A 88 11.151 -6.319 -0.692 1.00 0.67 H new ATOM 0 HG2 PRO A 88 13.231 -8.030 -2.033 1.00 0.75 H new ATOM 0 HG3 PRO A 88 11.967 -8.512 -0.919 1.00 0.75 H new ATOM 0 HD2 PRO A 88 11.877 -8.855 -3.744 1.00 0.65 H new ATOM 0 HD3 PRO A 88 10.505 -9.017 -2.667 1.00 0.65 H new ATOM 1306 N ARG A 89 12.179 -3.854 -3.819 1.00 0.59 N ATOM 1307 CA ARG A 89 13.178 -3.081 -4.619 1.00 0.72 C ATOM 1308 C ARG A 89 14.448 -2.880 -3.784 1.00 0.76 C ATOM 1309 O ARG A 89 15.526 -3.283 -4.181 1.00 0.89 O ATOM 1310 CB ARG A 89 12.587 -1.717 -4.995 1.00 0.83 C ATOM 1311 CG ARG A 89 11.525 -1.898 -6.082 1.00 1.00 C ATOM 1312 CD ARG A 89 10.898 -0.540 -6.414 1.00 1.07 C ATOM 1313 NE ARG A 89 9.420 -0.606 -6.220 1.00 1.09 N ATOM 1314 CZ ARG A 89 8.696 0.480 -6.324 1.00 1.19 C ATOM 1315 NH1 ARG A 89 8.382 0.944 -7.506 1.00 1.86 N ATOM 1316 NH2 ARG A 89 8.289 1.099 -5.247 1.00 1.53 N ATOM 0 H ARG A 89 11.419 -3.297 -3.428 1.00 0.59 H new ATOM 0 HA ARG A 89 13.423 -3.630 -5.528 1.00 0.72 H new ATOM 0 HB2 ARG A 89 12.146 -1.246 -4.117 1.00 0.83 H new ATOM 0 HB3 ARG A 89 13.375 -1.053 -5.350 1.00 0.83 H new ATOM 0 HG2 ARG A 89 11.974 -2.332 -6.976 1.00 1.00 H new ATOM 0 HG3 ARG A 89 10.756 -2.592 -5.743 1.00 1.00 H new ATOM 0 HD2 ARG A 89 11.324 0.234 -5.775 1.00 1.07 H new ATOM 0 HD3 ARG A 89 11.127 -0.265 -7.444 1.00 1.07 H new ATOM 0 HE ARG A 89 8.973 -1.498 -6.006 1.00 1.09 H new ATOM 0 HH11 ARG A 89 8.701 0.460 -8.345 1.00 1.86 H new ATOM 0 HH12 ARG A 89 7.818 1.790 -7.589 1.00 1.86 H new ATOM 0 HH21 ARG A 89 8.535 0.736 -4.326 1.00 1.53 H new ATOM 0 HH22 ARG A 89 7.725 1.945 -5.327 1.00 1.53 H new ATOM 1330 N ASP A 90 14.322 -2.269 -2.628 1.00 0.77 N ATOM 1331 CA ASP A 90 15.513 -2.044 -1.752 1.00 0.87 C ATOM 1332 C ASP A 90 15.332 -2.829 -0.446 1.00 0.84 C ATOM 1333 O ASP A 90 14.975 -2.278 0.583 1.00 1.09 O ATOM 1334 CB ASP A 90 15.654 -0.546 -1.452 1.00 1.00 C ATOM 1335 CG ASP A 90 16.334 0.154 -2.632 1.00 1.26 C ATOM 1336 OD1 ASP A 90 15.629 0.562 -3.541 1.00 1.65 O ATOM 1337 OD2 ASP A 90 17.549 0.273 -2.607 1.00 1.59 O ATOM 0 H ASP A 90 13.441 -1.916 -2.254 1.00 0.77 H new ATOM 0 HA ASP A 90 16.415 -2.389 -2.257 1.00 0.87 H new ATOM 0 HB2 ASP A 90 14.673 -0.107 -1.273 1.00 1.00 H new ATOM 0 HB3 ASP A 90 16.239 -0.400 -0.544 1.00 1.00 H new ATOM 1342 N ARG A 91 15.569 -4.118 -0.487 1.00 0.98 N ATOM 1343 CA ARG A 91 15.409 -4.961 0.738 1.00 0.95 C ATOM 1344 C ARG A 91 16.357 -6.167 0.668 1.00 1.12 C ATOM 1345 O ARG A 91 16.770 -6.584 -0.401 1.00 1.40 O ATOM 1346 CB ARG A 91 13.958 -5.447 0.829 1.00 1.08 C ATOM 1347 CG ARG A 91 13.310 -4.907 2.107 1.00 1.01 C ATOM 1348 CD ARG A 91 12.880 -6.073 3.003 1.00 1.22 C ATOM 1349 NE ARG A 91 13.797 -6.169 4.172 1.00 1.59 N ATOM 1350 CZ ARG A 91 13.604 -5.416 5.222 1.00 1.65 C ATOM 1351 NH1 ARG A 91 12.647 -5.702 6.062 1.00 2.30 N ATOM 1352 NH2 ARG A 91 14.370 -4.380 5.431 1.00 1.61 N ATOM 0 H ARG A 91 15.868 -4.624 -1.321 1.00 0.98 H new ATOM 0 HA ARG A 91 15.653 -4.370 1.621 1.00 0.95 H new ATOM 0 HB2 ARG A 91 13.397 -5.112 -0.044 1.00 1.08 H new ATOM 0 HB3 ARG A 91 13.929 -6.537 0.828 1.00 1.08 H new ATOM 0 HG2 ARG A 91 14.013 -4.267 2.640 1.00 1.01 H new ATOM 0 HG3 ARG A 91 12.446 -4.292 1.856 1.00 1.01 H new ATOM 0 HD2 ARG A 91 11.855 -5.925 3.343 1.00 1.22 H new ATOM 0 HD3 ARG A 91 12.897 -7.005 2.438 1.00 1.22 H new ATOM 0 HE ARG A 91 14.578 -6.825 4.153 1.00 1.59 H new ATOM 0 HH11 ARG A 91 12.050 -6.513 5.898 1.00 2.30 H new ATOM 0 HH12 ARG A 91 12.496 -5.115 6.882 1.00 2.30 H new ATOM 0 HH21 ARG A 91 15.119 -4.159 4.775 1.00 1.61 H new ATOM 0 HH22 ARG A 91 14.220 -3.792 6.251 1.00 1.61 H new ATOM 1366 N VAL A 92 16.704 -6.727 1.804 1.00 1.13 N ATOM 1367 CA VAL A 92 17.628 -7.909 1.820 1.00 1.40 C ATOM 1368 C VAL A 92 16.867 -9.182 1.410 1.00 1.56 C ATOM 1369 O VAL A 92 17.448 -10.103 0.866 1.00 1.85 O ATOM 1370 CB VAL A 92 18.229 -8.095 3.224 1.00 1.44 C ATOM 1371 CG1 VAL A 92 19.102 -6.886 3.577 1.00 1.50 C ATOM 1372 CG2 VAL A 92 17.109 -8.238 4.264 1.00 1.30 C ATOM 0 H VAL A 92 16.387 -6.416 2.722 1.00 1.13 H new ATOM 0 HA VAL A 92 18.434 -7.729 1.108 1.00 1.40 H new ATOM 0 HB VAL A 92 18.838 -8.999 3.229 1.00 1.44 H new ATOM 0 HG11 VAL A 92 19.526 -7.021 4.572 1.00 1.50 H new ATOM 0 HG12 VAL A 92 19.908 -6.794 2.849 1.00 1.50 H new ATOM 0 HG13 VAL A 92 18.494 -5.981 3.562 1.00 1.50 H new ATOM 0 HG21 VAL A 92 17.546 -8.369 5.254 1.00 1.30 H new ATOM 0 HG22 VAL A 92 16.489 -7.341 4.257 1.00 1.30 H new ATOM 0 HG23 VAL A 92 16.495 -9.105 4.021 1.00 1.30 H new ATOM 1382 N GLY A 93 15.577 -9.238 1.665 1.00 1.48 N ATOM 1383 CA GLY A 93 14.778 -10.446 1.293 1.00 1.73 C ATOM 1384 C GLY A 93 14.168 -11.056 2.553 1.00 1.29 C ATOM 1385 O GLY A 93 14.643 -12.055 3.062 1.00 1.51 O ATOM 0 H GLY A 93 15.045 -8.494 2.117 1.00 1.48 H new ATOM 0 HA2 GLY A 93 13.991 -10.173 0.590 1.00 1.73 H new ATOM 0 HA3 GLY A 93 15.414 -11.177 0.793 1.00 1.73 H new ATOM 1389 N HIS A 94 13.119 -10.452 3.059 1.00 0.97 N ATOM 1390 CA HIS A 94 12.464 -10.979 4.295 1.00 0.78 C ATOM 1391 C HIS A 94 10.938 -10.896 4.160 1.00 0.97 C ATOM 1392 O HIS A 94 10.434 -9.813 3.916 1.00 1.50 O ATOM 1393 CB HIS A 94 12.921 -10.153 5.502 1.00 1.29 C ATOM 1394 CG HIS A 94 13.027 -11.043 6.706 1.00 1.59 C ATOM 1395 ND1 HIS A 94 12.097 -11.453 7.627 1.00 2.47 N flip ATOM 1396 CD2 HIS A 94 14.222 -11.636 7.086 1.00 1.77 C flip ATOM 1397 CE1 HIS A 94 12.701 -12.285 8.566 1.00 2.91 C flip ATOM 1398 NE2 HIS A 94 13.981 -12.361 8.191 1.00 2.55 N flip ATOM 1399 OXT HIS A 94 10.300 -11.920 4.311 1.00 1.22 O ATOM 0 H HIS A 94 12.688 -9.615 2.667 1.00 0.97 H new ATOM 0 HA HIS A 94 12.749 -12.022 4.435 1.00 0.78 H new ATOM 0 HB2 HIS A 94 13.885 -9.688 5.294 1.00 1.29 H new ATOM 0 HB3 HIS A 94 12.213 -9.347 5.694 1.00 1.29 H new ATOM 0 HD2 HIS A 94 15.173 -11.534 6.585 1.00 1.77 H new ATOM 0 HE1 HIS A 94 12.235 -12.765 9.414 1.00 2.91 H new ATOM 0 HE2 HIS A 94 14.690 -12.904 8.684 1.00 2.55 H new TER 1407 HIS A 94