USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 685 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 81 GLN : amide:sc= 0.344 K(o=0.7,f=-2.1) USER MOD Set 1.2: A 83 HIS : no HD1:sc= 0.352 K(o=0.7,f=-6.7!) USER MOD Set 2.1: A 65 ASN : amide:sc= 0.529 K(o=1.5,f=-5.1!) USER MOD Set 2.2: A 68 GLN : amide:sc= 0.945 K(o=1.5,f=-4.6!) USER MOD Set 3.1: A 35 HIS : no HE2:sc= 1.04 K(o=1,f=-4.1!) USER MOD Set 3.2: A 39 GLN : amide:sc=-0.00296 K(o=1,f=-0.98) USER MOD Single : A 1 SER N :NH3+ 130:sc= 0.0928 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.247 USER MOD Single : A 4 HIS : no HD1:sc=-0.00851 X(o=-0.0085,f=-0.29) USER MOD Single : A 5 MET CE :methyl 169:sc=-0.00798 (180deg=-0.189) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0307 USER MOD Single : A 8 CYS SG : rot -73:sc= 0.107 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.472 K(o=-0.47,f=-3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 131:sc= 0.218 (180deg=-0.141) USER MOD Single : A 28 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.5!) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 1 (180deg=0.934) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc=-0.000322 (180deg=-0.132) USER MOD Single : A 41 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.5!) USER MOD Single : A 42 CYS SG : rot 130:sc= -0.342 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : +bothHN:sc= 2.05 K(o=2,f=-6.2!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 52 SER OG : rot -151:sc= 0.342 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.391! C(o=-0.39!,f=-5!) USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= 1.28 (180deg=1.15) USER MOD Single : A 69 CYS SG : rot 150:sc= -1.06 USER MOD Single : A 70 GLN : amide:sc= -0.33 K(o=-0.33,f=-1.7) USER MOD Single : A 74 ASN : amide:sc= 0.0111 K(o=0.011,f=-1.1) USER MOD Single : A 77 MET CE :methyl -136:sc= -0.145 (180deg=-0.575) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -156:sc= -0.491 (180deg=-1.03) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.13) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.613 -2.228 -5.075 1.00 0.00 N ATOM 2 CA SER A 1 -2.153 -1.068 -4.295 1.00 0.00 C ATOM 3 C SER A 1 -1.827 0.110 -5.205 1.00 0.00 C ATOM 4 O SER A 1 -1.658 -0.061 -6.412 1.00 0.00 O ATOM 5 CB SER A 1 -0.935 -1.429 -3.445 1.00 0.00 C ATOM 6 OG SER A 1 -1.305 -2.426 -2.511 1.00 0.00 O ATOM 0 H1 SER A 1 -2.081 -3.074 -4.786 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.627 -2.381 -4.904 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.456 -2.050 -6.088 1.00 0.00 H new ATOM 0 HA SER A 1 -2.966 -0.775 -3.630 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.126 -1.790 -4.080 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.563 -0.546 -2.926 1.00 0.00 H new ATOM 0 HG SER A 1 -0.529 -2.665 -1.963 1.00 0.00 H new ATOM 12 N GLY A 2 -1.737 1.311 -4.626 1.00 0.00 N ATOM 13 CA GLY A 2 -1.427 2.524 -5.362 1.00 0.00 C ATOM 14 C GLY A 2 0.060 2.605 -5.700 1.00 0.00 C ATOM 15 O GLY A 2 0.836 1.702 -5.390 1.00 0.00 O ATOM 0 H GLY A 2 -1.879 1.462 -3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -2.013 2.554 -6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.716 3.394 -4.772 1.00 0.00 H new ATOM 19 N SER A 3 0.454 3.708 -6.340 1.00 0.00 N ATOM 20 CA SER A 3 1.837 3.929 -6.740 1.00 0.00 C ATOM 21 C SER A 3 2.742 4.106 -5.523 1.00 0.00 C ATOM 22 O SER A 3 2.322 4.631 -4.493 1.00 0.00 O ATOM 23 CB SER A 3 1.931 5.149 -7.656 1.00 0.00 C ATOM 24 OG SER A 3 3.285 5.437 -7.929 1.00 0.00 O ATOM 0 H SER A 3 -0.177 4.468 -6.593 1.00 0.00 H new ATOM 0 HA SER A 3 2.178 3.049 -7.285 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.395 4.959 -8.586 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.455 6.008 -7.183 1.00 0.00 H new ATOM 0 HG SER A 3 3.341 6.218 -8.518 1.00 0.00 H new ATOM 30 N HIS A 4 3.998 3.665 -5.652 1.00 0.00 N ATOM 31 CA HIS A 4 4.999 3.800 -4.598 1.00 0.00 C ATOM 32 C HIS A 4 5.685 5.167 -4.645 1.00 0.00 C ATOM 33 O HIS A 4 6.564 5.443 -3.831 1.00 0.00 O ATOM 34 CB HIS A 4 6.021 2.663 -4.702 1.00 0.00 C ATOM 35 CG HIS A 4 5.454 1.315 -4.343 1.00 0.00 C ATOM 36 ND1 HIS A 4 4.340 0.708 -4.898 1.00 0.00 N ATOM 37 CD2 HIS A 4 5.982 0.450 -3.421 1.00 0.00 C ATOM 38 CE1 HIS A 4 4.190 -0.499 -4.320 1.00 0.00 C ATOM 39 NE2 HIS A 4 5.180 -0.676 -3.419 1.00 0.00 N ATOM 0 H HIS A 4 4.346 3.204 -6.493 1.00 0.00 H new ATOM 0 HA HIS A 4 4.494 3.731 -3.634 1.00 0.00 H new ATOM 0 HB2 HIS A 4 6.410 2.626 -5.720 1.00 0.00 H new ATOM 0 HB3 HIS A 4 6.864 2.881 -4.046 1.00 0.00 H new ATOM 0 HD2 HIS A 4 6.858 0.616 -2.812 1.00 0.00 H new ATOM 0 HE1 HIS A 4 3.407 -1.209 -4.541 1.00 0.00 H new ATOM 0 HE2 HIS A 4 5.314 -1.502 -2.835 1.00 0.00 H new ATOM 48 N MET A 5 5.286 6.022 -5.596 1.00 0.00 N ATOM 49 CA MET A 5 5.842 7.357 -5.792 1.00 0.00 C ATOM 50 C MET A 5 7.359 7.318 -6.031 1.00 0.00 C ATOM 51 O MET A 5 8.042 8.327 -5.883 1.00 0.00 O ATOM 52 CB MET A 5 5.410 8.265 -4.630 1.00 0.00 C ATOM 53 CG MET A 5 5.702 9.744 -4.885 1.00 0.00 C ATOM 54 SD MET A 5 4.957 10.863 -3.668 1.00 0.00 S ATOM 55 CE MET A 5 5.867 10.345 -2.187 1.00 0.00 C ATOM 0 H MET A 5 4.550 5.794 -6.264 1.00 0.00 H new ATOM 0 HA MET A 5 5.437 7.791 -6.706 1.00 0.00 H new ATOM 0 HB2 MET A 5 4.342 8.137 -4.454 1.00 0.00 H new ATOM 0 HB3 MET A 5 5.923 7.951 -3.721 1.00 0.00 H new ATOM 0 HG2 MET A 5 6.781 9.895 -4.889 1.00 0.00 H new ATOM 0 HG3 MET A 5 5.339 10.010 -5.878 1.00 0.00 H new ATOM 0 HE1 MET A 5 5.683 11.054 -1.380 1.00 0.00 H new ATOM 0 HE2 MET A 5 5.532 9.354 -1.882 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.934 10.316 -2.407 1.00 0.00 H new ATOM 65 N LYS A 6 7.895 6.148 -6.403 1.00 0.00 N ATOM 66 CA LYS A 6 9.321 5.968 -6.654 1.00 0.00 C ATOM 67 C LYS A 6 9.716 6.461 -8.049 1.00 0.00 C ATOM 68 O LYS A 6 10.866 6.314 -8.456 1.00 0.00 O ATOM 69 CB LYS A 6 9.689 4.495 -6.459 1.00 0.00 C ATOM 70 CG LYS A 6 8.947 3.592 -7.450 1.00 0.00 C ATOM 71 CD LYS A 6 9.281 2.116 -7.206 1.00 0.00 C ATOM 72 CE LYS A 6 10.772 1.850 -7.414 1.00 0.00 C ATOM 73 NZ LYS A 6 11.090 0.423 -7.225 1.00 0.00 N ATOM 0 H LYS A 6 7.345 5.300 -6.537 1.00 0.00 H new ATOM 0 HA LYS A 6 9.881 6.572 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.764 4.368 -6.585 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.450 4.191 -5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.872 3.746 -7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.218 3.866 -8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.996 1.838 -6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.699 1.491 -7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.063 2.160 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.352 2.451 -6.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.108 0.272 -7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.833 0.135 -6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.553 -0.146 -7.910 1.00 0.00 H new ATOM 87 N THR A 7 8.761 7.041 -8.775 1.00 0.00 N ATOM 88 CA THR A 7 8.975 7.568 -10.115 1.00 0.00 C ATOM 89 C THR A 7 9.985 8.704 -10.219 1.00 0.00 C ATOM 90 O THR A 7 10.195 9.449 -9.260 1.00 0.00 O ATOM 91 CB THR A 7 7.642 7.881 -10.810 1.00 0.00 C ATOM 92 OG1 THR A 7 6.620 7.056 -10.289 1.00 0.00 O ATOM 93 CG2 THR A 7 7.735 7.681 -12.322 1.00 0.00 C ATOM 0 H THR A 7 7.804 7.158 -8.441 1.00 0.00 H new ATOM 0 HA THR A 7 9.459 6.761 -10.664 1.00 0.00 H new ATOM 0 HB THR A 7 7.408 8.928 -10.618 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.773 7.263 -10.736 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.773 7.912 -12.779 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.499 8.343 -12.730 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.999 6.646 -12.536 1.00 0.00 H new ATOM 101 N CYS A 8 10.620 8.847 -11.387 1.00 0.00 N ATOM 102 CA CYS A 8 11.626 9.875 -11.617 1.00 0.00 C ATOM 103 C CYS A 8 11.029 11.275 -11.763 1.00 0.00 C ATOM 104 O CYS A 8 11.770 12.257 -11.767 1.00 0.00 O ATOM 105 CB CYS A 8 12.455 9.515 -12.852 1.00 0.00 C ATOM 106 SG CYS A 8 11.358 9.295 -14.279 1.00 0.00 S ATOM 0 H CYS A 8 10.447 8.251 -12.196 1.00 0.00 H new ATOM 0 HA CYS A 8 12.265 9.905 -10.735 1.00 0.00 H new ATOM 0 HB2 CYS A 8 13.181 10.302 -13.057 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.019 8.600 -12.670 1.00 0.00 H new ATOM 0 HG CYS A 8 10.705 8.177 -14.156 1.00 0.00 H new ATOM 112 N VAL A 9 9.700 11.375 -11.885 1.00 0.00 N ATOM 113 CA VAL A 9 9.027 12.664 -11.979 1.00 0.00 C ATOM 114 C VAL A 9 9.062 13.421 -10.653 1.00 0.00 C ATOM 115 O VAL A 9 9.031 12.811 -9.586 1.00 0.00 O ATOM 116 CB VAL A 9 7.610 12.490 -12.529 1.00 0.00 C ATOM 117 CG1 VAL A 9 6.661 11.929 -11.468 1.00 0.00 C ATOM 118 CG2 VAL A 9 7.058 13.829 -13.019 1.00 0.00 C ATOM 0 H VAL A 9 9.072 10.572 -11.920 1.00 0.00 H new ATOM 0 HA VAL A 9 9.573 13.286 -12.688 1.00 0.00 H new ATOM 0 HB VAL A 9 7.672 11.785 -13.358 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.664 11.819 -11.894 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.023 10.957 -11.134 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.620 12.612 -10.619 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.049 13.687 -13.407 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.032 14.537 -12.190 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.699 14.219 -13.809 1.00 0.00 H new ATOM 128 N VAL A 10 9.125 14.755 -10.716 1.00 0.00 N ATOM 129 CA VAL A 10 9.194 15.605 -9.534 1.00 0.00 C ATOM 130 C VAL A 10 8.426 16.903 -9.765 1.00 0.00 C ATOM 131 O VAL A 10 8.225 17.335 -10.898 1.00 0.00 O ATOM 132 CB VAL A 10 10.652 15.907 -9.162 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.434 14.632 -8.859 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.366 16.669 -10.282 1.00 0.00 C ATOM 0 H VAL A 10 9.129 15.273 -11.595 1.00 0.00 H new ATOM 0 HA VAL A 10 8.734 15.070 -8.704 1.00 0.00 H new ATOM 0 HB VAL A 10 10.619 16.526 -8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.461 14.888 -8.600 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.969 14.110 -8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.431 13.986 -9.737 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.396 16.868 -9.987 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.358 16.070 -11.192 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.853 17.613 -10.465 1.00 0.00 H new ATOM 144 N GLU A 11 7.997 17.519 -8.663 1.00 0.00 N ATOM 145 CA GLU A 11 7.252 18.769 -8.669 1.00 0.00 C ATOM 146 C GLU A 11 8.200 19.962 -8.817 1.00 0.00 C ATOM 147 O GLU A 11 9.384 19.852 -8.506 1.00 0.00 O ATOM 148 CB GLU A 11 6.459 18.849 -7.360 1.00 0.00 C ATOM 149 CG GLU A 11 5.627 20.128 -7.207 1.00 0.00 C ATOM 150 CD GLU A 11 4.581 20.320 -8.306 1.00 0.00 C ATOM 151 OE1 GLU A 11 4.381 19.385 -9.112 1.00 0.00 O ATOM 152 OE2 GLU A 11 3.982 21.415 -8.328 1.00 0.00 O ATOM 0 H GLU A 11 8.163 17.153 -7.726 1.00 0.00 H new ATOM 0 HA GLU A 11 6.568 18.800 -9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.795 17.987 -7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.153 18.778 -6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.125 20.110 -6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.297 20.988 -7.202 1.00 0.00 H new ATOM 159 N LYS A 12 7.684 21.105 -9.286 1.00 0.00 N ATOM 160 CA LYS A 12 8.463 22.331 -9.389 1.00 0.00 C ATOM 161 C LYS A 12 7.652 23.565 -9.014 1.00 0.00 C ATOM 162 O LYS A 12 6.456 23.642 -9.287 1.00 0.00 O ATOM 163 CB LYS A 12 9.077 22.483 -10.786 1.00 0.00 C ATOM 164 CG LYS A 12 10.467 21.847 -10.818 1.00 0.00 C ATOM 165 CD LYS A 12 11.143 22.130 -12.157 1.00 0.00 C ATOM 166 CE LYS A 12 12.598 21.663 -12.091 1.00 0.00 C ATOM 167 NZ LYS A 12 13.293 21.894 -13.372 1.00 0.00 N ATOM 0 H LYS A 12 6.719 21.199 -9.602 1.00 0.00 H new ATOM 0 HA LYS A 12 9.275 22.249 -8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.434 22.010 -11.528 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.145 23.538 -11.050 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.075 22.242 -10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.387 20.771 -10.663 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.618 21.613 -12.960 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.100 23.196 -12.382 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.117 22.193 -11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.631 20.602 -11.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.278 21.567 -13.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.811 21.368 -14.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.281 22.910 -13.595 1.00 0.00 H new ATOM 181 N ILE A 13 8.329 24.530 -8.387 1.00 0.00 N ATOM 182 CA ILE A 13 7.767 25.805 -7.959 1.00 0.00 C ATOM 183 C ILE A 13 8.833 26.884 -8.113 1.00 0.00 C ATOM 184 O ILE A 13 10.026 26.593 -8.016 1.00 0.00 O ATOM 185 CB ILE A 13 7.280 25.709 -6.500 1.00 0.00 C ATOM 186 CG1 ILE A 13 6.030 24.821 -6.423 1.00 0.00 C ATOM 187 CG2 ILE A 13 6.983 27.093 -5.912 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.449 24.766 -5.008 1.00 0.00 C ATOM 0 H ILE A 13 9.318 24.438 -8.157 1.00 0.00 H new ATOM 0 HA ILE A 13 6.907 26.062 -8.577 1.00 0.00 H new ATOM 0 HB ILE A 13 8.079 25.262 -5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.274 25.200 -7.110 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.282 23.812 -6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.642 26.985 -4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.889 27.699 -5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.207 27.580 -6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.566 24.127 -5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.195 24.362 -4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.171 25.771 -4.689 1.00 0.00 H new ATOM 200 N LYS A 14 8.407 28.127 -8.355 1.00 0.00 N ATOM 201 CA LYS A 14 9.301 29.269 -8.449 1.00 0.00 C ATOM 202 C LYS A 14 8.643 30.481 -7.806 1.00 0.00 C ATOM 203 O LYS A 14 7.449 30.712 -8.000 1.00 0.00 O ATOM 204 CB LYS A 14 9.669 29.517 -9.913 1.00 0.00 C ATOM 205 CG LYS A 14 10.535 30.775 -10.059 1.00 0.00 C ATOM 206 CD LYS A 14 11.022 30.948 -11.501 1.00 0.00 C ATOM 207 CE LYS A 14 9.844 31.083 -12.467 1.00 0.00 C ATOM 208 NZ LYS A 14 10.309 31.283 -13.854 1.00 0.00 N ATOM 0 H LYS A 14 7.424 28.364 -8.491 1.00 0.00 H new ATOM 0 HA LYS A 14 10.227 29.071 -7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.206 28.654 -10.307 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.761 29.626 -10.506 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.961 31.652 -9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.392 30.710 -9.388 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.656 31.832 -11.570 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.634 30.093 -11.786 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.223 30.189 -12.415 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.218 31.923 -12.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.488 31.371 -14.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.881 32.150 -13.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.886 30.469 -14.148 1.00 0.00 H new ATOM 222 N GLN A 15 9.416 31.255 -7.040 1.00 0.00 N ATOM 223 CA GLN A 15 8.902 32.435 -6.363 1.00 0.00 C ATOM 224 C GLN A 15 10.028 33.432 -6.084 1.00 0.00 C ATOM 225 O GLN A 15 11.171 33.042 -5.860 1.00 0.00 O ATOM 226 CB GLN A 15 8.186 32.013 -5.072 1.00 0.00 C ATOM 227 CG GLN A 15 7.684 33.222 -4.276 1.00 0.00 C ATOM 228 CD GLN A 15 6.772 34.113 -5.111 1.00 0.00 C ATOM 229 OE1 GLN A 15 5.913 33.625 -5.842 1.00 0.00 O ATOM 230 NE2 GLN A 15 6.947 35.427 -5.015 1.00 0.00 N ATOM 0 H GLN A 15 10.407 31.078 -6.876 1.00 0.00 H new ATOM 0 HA GLN A 15 8.181 32.937 -7.008 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.344 31.366 -5.319 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.867 31.428 -4.454 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.146 32.877 -3.393 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.536 33.803 -3.923 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.669 35.802 -4.399 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.360 36.061 -5.557 1.00 0.00 H new ATOM 239 N TRP A 16 9.691 34.723 -6.099 1.00 0.00 N ATOM 240 CA TRP A 16 10.634 35.801 -5.863 1.00 0.00 C ATOM 241 C TRP A 16 10.657 36.207 -4.395 1.00 0.00 C ATOM 242 O TRP A 16 9.639 36.127 -3.705 1.00 0.00 O ATOM 243 CB TRP A 16 10.237 37.000 -6.727 1.00 0.00 C ATOM 244 CG TRP A 16 10.170 36.714 -8.190 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.128 36.141 -8.832 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.196 36.920 -9.209 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.436 35.979 -10.168 1.00 0.00 N ATOM 248 CE2 TRP A 16 10.701 36.443 -10.455 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.487 37.472 -9.205 1.00 0.00 C ATOM 250 CZ2 TRP A 16 11.450 36.510 -11.636 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.248 37.541 -10.380 1.00 0.00 C ATOM 252 CH2 TRP A 16 12.735 37.066 -11.593 1.00 0.00 C ATOM 0 H TRP A 16 8.740 35.046 -6.279 1.00 0.00 H new ATOM 0 HA TRP A 16 11.634 35.457 -6.128 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.264 37.364 -6.396 1.00 0.00 H new ATOM 0 HB3 TRP A 16 10.952 37.805 -6.560 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.195 35.853 -8.370 1.00 0.00 H new ATOM 0 HE1 TRP A 16 8.806 35.567 -10.856 1.00 0.00 H new ATOM 0 HE3 TRP A 16 12.900 37.850 -8.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.044 36.139 -12.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.241 37.965 -10.349 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.328 37.128 -12.493 1.00 0.00 H new ATOM 263 N ILE A 17 11.826 36.647 -3.927 1.00 0.00 N ATOM 264 CA ILE A 17 12.014 37.214 -2.601 1.00 0.00 C ATOM 265 C ILE A 17 12.931 38.424 -2.771 1.00 0.00 C ATOM 266 O ILE A 17 13.845 38.395 -3.597 1.00 0.00 O ATOM 267 CB ILE A 17 12.604 36.178 -1.624 1.00 0.00 C ATOM 268 CG1 ILE A 17 14.113 35.989 -1.846 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.853 34.844 -1.699 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.708 34.957 -0.892 1.00 0.00 C ATOM 0 H ILE A 17 12.685 36.616 -4.476 1.00 0.00 H new ATOM 0 HA ILE A 17 11.061 37.515 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 17 12.471 36.570 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.291 35.676 -2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.621 36.944 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.296 34.137 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.805 35.001 -1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.923 34.443 -2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.776 34.856 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 17 14.554 35.282 0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.219 33.995 -1.046 1.00 0.00 H new ATOM 282 N PRO A 18 12.710 39.497 -2.000 1.00 0.00 N ATOM 283 CA PRO A 18 13.510 40.705 -2.079 1.00 0.00 C ATOM 284 C PRO A 18 14.941 40.421 -1.630 1.00 0.00 C ATOM 285 O PRO A 18 15.184 39.486 -0.866 1.00 0.00 O ATOM 286 CB PRO A 18 12.815 41.709 -1.157 1.00 0.00 C ATOM 287 CG PRO A 18 12.113 40.812 -0.138 1.00 0.00 C ATOM 288 CD PRO A 18 11.680 39.621 -0.989 1.00 0.00 C ATOM 0 HA PRO A 18 13.583 41.092 -3.095 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.529 42.380 -0.680 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.106 42.333 -1.701 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.783 40.513 0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.261 41.312 0.324 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.602 38.714 -0.390 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.702 39.791 -1.439 1.00 0.00 H new ATOM 296 N THR A 19 15.898 41.225 -2.101 1.00 0.00 N ATOM 297 CA THR A 19 17.307 41.025 -1.785 1.00 0.00 C ATOM 298 C THR A 19 17.669 41.058 -0.302 1.00 0.00 C ATOM 299 O THR A 19 18.714 40.548 0.099 1.00 0.00 O ATOM 300 CB THR A 19 18.211 41.920 -2.641 1.00 0.00 C ATOM 301 OG1 THR A 19 17.574 42.243 -3.856 1.00 0.00 O ATOM 302 CG2 THR A 19 19.546 41.242 -2.926 1.00 0.00 C ATOM 0 H THR A 19 15.716 42.025 -2.707 1.00 0.00 H new ATOM 0 HA THR A 19 17.502 39.988 -2.059 1.00 0.00 H new ATOM 0 HB THR A 19 18.401 42.835 -2.079 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.162 42.816 -4.391 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.166 41.900 -3.535 1.00 0.00 H new ATOM 0 HG22 THR A 19 20.055 41.031 -1.986 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.373 40.309 -3.462 1.00 0.00 H new ATOM 310 N THR A 20 16.799 41.655 0.521 1.00 0.00 N ATOM 311 CA THR A 20 16.961 41.681 1.969 1.00 0.00 C ATOM 312 C THR A 20 16.551 40.391 2.674 1.00 0.00 C ATOM 313 O THR A 20 16.827 40.214 3.859 1.00 0.00 O ATOM 314 CB THR A 20 16.309 42.920 2.594 1.00 0.00 C ATOM 315 OG1 THR A 20 14.962 42.640 2.902 1.00 0.00 O ATOM 316 CG2 THR A 20 16.360 44.137 1.667 1.00 0.00 C ATOM 0 H THR A 20 15.960 42.135 0.194 1.00 0.00 H new ATOM 0 HA THR A 20 18.036 41.754 2.135 1.00 0.00 H new ATOM 0 HB THR A 20 16.873 43.160 3.496 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.547 43.432 3.303 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.885 44.987 2.157 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.399 44.381 1.443 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.832 43.911 0.740 1.00 0.00 H new ATOM 324 N GLU A 21 15.894 39.488 1.942 1.00 0.00 N ATOM 325 CA GLU A 21 15.460 38.198 2.461 1.00 0.00 C ATOM 326 C GLU A 21 16.325 37.058 1.935 1.00 0.00 C ATOM 327 O GLU A 21 16.209 35.927 2.403 1.00 0.00 O ATOM 328 CB GLU A 21 13.983 37.983 2.135 1.00 0.00 C ATOM 329 CG GLU A 21 13.126 38.938 2.964 1.00 0.00 C ATOM 330 CD GLU A 21 11.629 38.687 2.778 1.00 0.00 C ATOM 331 OE1 GLU A 21 11.271 37.805 1.966 1.00 0.00 O ATOM 332 OE2 GLU A 21 10.847 39.385 3.461 1.00 0.00 O ATOM 0 H GLU A 21 15.648 39.638 0.963 1.00 0.00 H new ATOM 0 HA GLU A 21 15.580 38.201 3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.807 38.151 1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.701 36.951 2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.382 38.830 4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.357 39.966 2.684 1.00 0.00 H new ATOM 339 N VAL A 22 17.205 37.336 0.963 1.00 0.00 N ATOM 340 CA VAL A 22 18.122 36.327 0.450 1.00 0.00 C ATOM 341 C VAL A 22 19.125 35.954 1.542 1.00 0.00 C ATOM 342 O VAL A 22 19.596 34.819 1.595 1.00 0.00 O ATOM 343 CB VAL A 22 18.838 36.869 -0.792 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.870 35.871 -1.314 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.833 37.159 -1.907 1.00 0.00 C ATOM 0 H VAL A 22 17.296 38.251 0.522 1.00 0.00 H new ATOM 0 HA VAL A 22 17.571 35.431 0.164 1.00 0.00 H new ATOM 0 HB VAL A 22 19.343 37.789 -0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 22 20.361 36.283 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.614 35.678 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 22 19.372 34.938 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 22 18.360 37.543 -2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.310 36.241 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.112 37.901 -1.563 1.00 0.00 H new ATOM 355 N GLY A 23 19.450 36.905 2.422 1.00 0.00 N ATOM 356 CA GLY A 23 20.370 36.665 3.525 1.00 0.00 C ATOM 357 C GLY A 23 19.722 35.821 4.620 1.00 0.00 C ATOM 358 O GLY A 23 20.422 35.259 5.459 1.00 0.00 O ATOM 0 H GLY A 23 19.083 37.856 2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.261 36.159 3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.695 37.618 3.943 1.00 0.00 H new ATOM 362 N LYS A 24 18.387 35.722 4.618 1.00 0.00 N ATOM 363 CA LYS A 24 17.656 34.893 5.569 1.00 0.00 C ATOM 364 C LYS A 24 17.620 33.431 5.128 1.00 0.00 C ATOM 365 O LYS A 24 17.008 32.606 5.804 1.00 0.00 O ATOM 366 CB LYS A 24 16.244 35.445 5.772 1.00 0.00 C ATOM 367 CG LYS A 24 16.307 36.858 6.355 1.00 0.00 C ATOM 368 CD LYS A 24 14.894 37.378 6.621 1.00 0.00 C ATOM 369 CE LYS A 24 14.942 38.745 7.306 1.00 0.00 C ATOM 370 NZ LYS A 24 15.609 39.760 6.470 1.00 0.00 N ATOM 0 H LYS A 24 17.789 36.216 3.956 1.00 0.00 H new ATOM 0 HA LYS A 24 18.182 34.926 6.523 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.711 35.460 4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.683 34.792 6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.882 36.853 7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.824 37.523 5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.347 37.455 5.682 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.352 36.670 7.248 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.927 39.072 7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.468 38.656 8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.019 40.616 6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 16.533 39.997 6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.745 39.384 5.510 1.00 0.00 H new ATOM 384 N ILE A 25 18.268 33.105 4.006 1.00 0.00 N ATOM 385 CA ILE A 25 18.320 31.740 3.494 1.00 0.00 C ATOM 386 C ILE A 25 19.764 31.309 3.242 1.00 0.00 C ATOM 387 O ILE A 25 20.081 30.128 3.381 1.00 0.00 O ATOM 388 CB ILE A 25 17.504 31.647 2.199 1.00 0.00 C ATOM 389 CG1 ILE A 25 16.074 32.175 2.386 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.490 30.203 1.683 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.302 32.153 1.068 1.00 0.00 C ATOM 0 H ILE A 25 18.769 33.782 3.431 1.00 0.00 H new ATOM 0 HA ILE A 25 17.893 31.069 4.239 1.00 0.00 H new ATOM 0 HB ILE A 25 17.986 32.281 1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.553 31.568 3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.107 33.193 2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.907 30.151 0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.511 29.878 1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 25 17.041 29.553 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.293 32.532 1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.812 32.781 0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.249 31.130 0.694 1.00 0.00 H new ATOM 403 N LEU A 26 20.635 32.254 2.876 1.00 0.00 N ATOM 404 CA LEU A 26 22.012 31.970 2.491 1.00 0.00 C ATOM 405 C LEU A 26 23.033 32.643 3.412 1.00 0.00 C ATOM 406 O LEU A 26 24.232 32.578 3.147 1.00 0.00 O ATOM 407 CB LEU A 26 22.231 32.430 1.044 1.00 0.00 C ATOM 408 CG LEU A 26 21.166 31.921 0.067 1.00 0.00 C ATOM 409 CD1 LEU A 26 21.471 32.495 -1.314 1.00 0.00 C ATOM 410 CD2 LEU A 26 21.190 30.395 -0.007 1.00 0.00 C ATOM 0 H LEU A 26 20.397 33.245 2.840 1.00 0.00 H new ATOM 0 HA LEU A 26 22.167 30.895 2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.245 33.520 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.211 32.090 0.709 1.00 0.00 H new ATOM 0 HG LEU A 26 20.180 32.236 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 26 20.724 32.145 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 26 21.447 33.584 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.460 32.167 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.427 30.053 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 26 22.170 30.063 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.990 29.980 0.981 1.00 0.00 H new ATOM 422 N GLY A 27 22.570 33.288 4.487 1.00 0.00 N ATOM 423 CA GLY A 27 23.421 34.088 5.363 1.00 0.00 C ATOM 424 C GLY A 27 24.352 33.257 6.251 1.00 0.00 C ATOM 425 O GLY A 27 25.139 33.827 7.007 1.00 0.00 O ATOM 0 H GLY A 27 21.591 33.268 4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.023 34.762 4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 27 22.790 34.710 5.997 1.00 0.00 H new ATOM 429 N ASN A 28 24.276 31.926 6.173 1.00 0.00 N ATOM 430 CA ASN A 28 25.086 31.039 6.997 1.00 0.00 C ATOM 431 C ASN A 28 25.404 29.737 6.263 1.00 0.00 C ATOM 432 O ASN A 28 25.031 28.655 6.714 1.00 0.00 O ATOM 433 CB ASN A 28 24.393 30.793 8.344 1.00 0.00 C ATOM 434 CG ASN A 28 22.928 30.387 8.217 1.00 0.00 C ATOM 435 OD1 ASN A 28 22.462 29.985 7.152 1.00 0.00 O ATOM 436 ND2 ASN A 28 22.191 30.494 9.315 1.00 0.00 N ATOM 0 H ASN A 28 23.649 31.437 5.534 1.00 0.00 H new ATOM 0 HA ASN A 28 26.042 31.522 7.198 1.00 0.00 H new ATOM 0 HB2 ASN A 28 24.931 30.013 8.882 1.00 0.00 H new ATOM 0 HB3 ASN A 28 24.458 31.699 8.947 1.00 0.00 H new ATOM 0 HD21 ASN A 28 21.204 30.239 9.293 1.00 0.00 H new ATOM 0 HD22 ASN A 28 22.612 30.831 10.181 1.00 0.00 H new ATOM 443 N ARG A 29 26.096 29.843 5.121 1.00 0.00 N ATOM 444 CA ARG A 29 26.431 28.702 4.275 1.00 0.00 C ATOM 445 C ARG A 29 25.176 27.933 3.868 1.00 0.00 C ATOM 446 O ARG A 29 25.210 26.718 3.686 1.00 0.00 O ATOM 447 CB ARG A 29 27.479 27.804 4.949 1.00 0.00 C ATOM 448 CG ARG A 29 28.736 28.576 5.352 1.00 0.00 C ATOM 449 CD ARG A 29 29.412 29.224 4.144 1.00 0.00 C ATOM 450 NE ARG A 29 30.654 29.904 4.534 1.00 0.00 N ATOM 451 CZ ARG A 29 31.876 29.376 4.415 1.00 0.00 C ATOM 452 NH1 ARG A 29 32.055 28.149 3.934 1.00 0.00 N ATOM 453 NH2 ARG A 29 32.936 30.087 4.786 1.00 0.00 N ATOM 0 H ARG A 29 26.440 30.733 4.760 1.00 0.00 H new ATOM 0 HA ARG A 29 26.882 29.076 3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 29 27.042 27.340 5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.754 26.997 4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 29 28.474 29.345 6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 29 29.437 27.900 5.842 1.00 0.00 H new ATOM 0 HD2 ARG A 29 29.630 28.463 3.394 1.00 0.00 H new ATOM 0 HD3 ARG A 29 28.731 29.940 3.683 1.00 0.00 H new ATOM 0 HE ARG A 29 30.579 30.844 4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 29 31.251 27.591 3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.997 27.766 3.852 1.00 0.00 H new ATOM 0 HH21 ARG A 29 32.814 31.029 5.158 1.00 0.00 H new ATOM 0 HH22 ARG A 29 33.872 29.691 4.698 1.00 0.00 H new ATOM 467 N ALA A 30 24.065 28.661 3.731 1.00 0.00 N ATOM 468 CA ALA A 30 22.761 28.120 3.375 1.00 0.00 C ATOM 469 C ALA A 30 22.273 27.033 4.334 1.00 0.00 C ATOM 470 O ALA A 30 21.456 26.199 3.948 1.00 0.00 O ATOM 471 CB ALA A 30 22.764 27.671 1.913 1.00 0.00 C ATOM 0 H ALA A 30 24.053 29.671 3.870 1.00 0.00 H new ATOM 0 HA ALA A 30 22.029 28.921 3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.785 27.267 1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 30 22.986 28.523 1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.523 26.902 1.770 1.00 0.00 H new ATOM 477 N ALA A 31 22.756 27.031 5.579 1.00 0.00 N ATOM 478 CA ALA A 31 22.351 26.036 6.561 1.00 0.00 C ATOM 479 C ALA A 31 20.854 26.134 6.867 1.00 0.00 C ATOM 480 O ALA A 31 20.253 25.159 7.318 1.00 0.00 O ATOM 481 CB ALA A 31 23.176 26.241 7.834 1.00 0.00 C ATOM 0 H ALA A 31 23.431 27.713 5.927 1.00 0.00 H new ATOM 0 HA ALA A 31 22.532 25.040 6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.884 25.502 8.580 1.00 0.00 H new ATOM 0 HB2 ALA A 31 24.235 26.125 7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 31 22.998 27.242 8.226 1.00 0.00 H new ATOM 487 N VAL A 32 20.244 27.301 6.624 1.00 0.00 N ATOM 488 CA VAL A 32 18.810 27.476 6.816 1.00 0.00 C ATOM 489 C VAL A 32 18.075 26.755 5.694 1.00 0.00 C ATOM 490 O VAL A 32 17.036 26.145 5.939 1.00 0.00 O ATOM 491 CB VAL A 32 18.479 28.971 6.778 1.00 0.00 C ATOM 492 CG1 VAL A 32 16.969 29.196 6.694 1.00 0.00 C ATOM 493 CG2 VAL A 32 19.018 29.641 8.039 1.00 0.00 C ATOM 0 H VAL A 32 20.728 28.136 6.294 1.00 0.00 H new ATOM 0 HA VAL A 32 18.503 27.064 7.777 1.00 0.00 H new ATOM 0 HB VAL A 32 18.944 29.405 5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.761 30.266 6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.581 28.729 5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 32 16.486 28.753 7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 32 18.784 30.705 8.014 1.00 0.00 H new ATOM 0 HG22 VAL A 32 18.557 29.188 8.917 1.00 0.00 H new ATOM 0 HG23 VAL A 32 20.099 29.509 8.088 1.00 0.00 H new ATOM 503 N LYS A 33 18.604 26.812 4.467 1.00 0.00 N ATOM 504 CA LYS A 33 17.964 26.166 3.330 1.00 0.00 C ATOM 505 C LYS A 33 18.025 24.653 3.493 1.00 0.00 C ATOM 506 O LYS A 33 17.094 23.945 3.112 1.00 0.00 O ATOM 507 CB LYS A 33 18.674 26.613 2.049 1.00 0.00 C ATOM 508 CG LYS A 33 17.909 26.161 0.802 1.00 0.00 C ATOM 509 CD LYS A 33 18.595 26.690 -0.461 1.00 0.00 C ATOM 510 CE LYS A 33 19.956 26.028 -0.684 1.00 0.00 C ATOM 511 NZ LYS A 33 19.814 24.588 -0.979 1.00 0.00 N ATOM 0 H LYS A 33 19.472 27.299 4.242 1.00 0.00 H new ATOM 0 HA LYS A 33 16.914 26.453 3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.772 27.699 2.045 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.683 26.202 2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.862 25.072 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.882 26.523 0.845 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.956 26.509 -1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.724 27.769 -0.380 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.471 26.521 -1.509 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.576 26.160 0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.726 24.209 -1.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.519 24.085 -0.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.097 24.455 -1.721 1.00 0.00 H new ATOM 525 N LYS A 34 19.120 24.151 4.069 1.00 0.00 N ATOM 526 CA LYS A 34 19.327 22.725 4.289 1.00 0.00 C ATOM 527 C LYS A 34 18.392 22.169 5.365 1.00 0.00 C ATOM 528 O LYS A 34 18.195 20.959 5.434 1.00 0.00 O ATOM 529 CB LYS A 34 20.786 22.479 4.668 1.00 0.00 C ATOM 530 CG LYS A 34 21.710 22.812 3.494 1.00 0.00 C ATOM 531 CD LYS A 34 23.172 22.666 3.925 1.00 0.00 C ATOM 532 CE LYS A 34 24.121 23.041 2.783 1.00 0.00 C ATOM 533 NZ LYS A 34 23.977 22.131 1.630 1.00 0.00 N ATOM 0 H LYS A 34 19.892 24.731 4.397 1.00 0.00 H new ATOM 0 HA LYS A 34 19.093 22.200 3.363 1.00 0.00 H new ATOM 0 HB2 LYS A 34 21.051 23.089 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.921 21.438 4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.501 22.148 2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.523 23.829 3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.366 23.303 4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.362 21.639 4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.921 24.064 2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 34 25.150 23.014 3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 24.754 22.296 0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 24.007 21.145 1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 23.068 22.310 1.158 1.00 0.00 H new ATOM 547 N HIS A 35 17.810 23.032 6.209 1.00 0.00 N ATOM 548 CA HIS A 35 16.852 22.583 7.211 1.00 0.00 C ATOM 549 C HIS A 35 15.498 22.309 6.567 1.00 0.00 C ATOM 550 O HIS A 35 14.813 21.359 6.942 1.00 0.00 O ATOM 551 CB HIS A 35 16.714 23.650 8.300 1.00 0.00 C ATOM 552 CG HIS A 35 15.675 23.292 9.330 1.00 0.00 C ATOM 553 ND1 HIS A 35 15.892 22.571 10.491 1.00 0.00 N ATOM 554 CD2 HIS A 35 14.344 23.613 9.284 1.00 0.00 C ATOM 555 CE1 HIS A 35 14.711 22.449 11.130 1.00 0.00 C ATOM 556 NE2 HIS A 35 13.756 23.074 10.414 1.00 0.00 N ATOM 0 H HIS A 35 17.988 24.036 6.213 1.00 0.00 H new ATOM 0 HA HIS A 35 17.212 21.657 7.659 1.00 0.00 H new ATOM 0 HB2 HIS A 35 17.676 23.788 8.792 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.451 24.603 7.840 1.00 0.00 H new ATOM 0 HD1 HIS A 35 16.787 22.198 10.807 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.847 24.180 8.511 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.555 21.933 12.066 1.00 0.00 H new ATOM 565 N ILE A 36 15.105 23.136 5.596 1.00 0.00 N ATOM 566 CA ILE A 36 13.810 22.995 4.947 1.00 0.00 C ATOM 567 C ILE A 36 13.801 21.750 4.060 1.00 0.00 C ATOM 568 O ILE A 36 12.764 21.113 3.890 1.00 0.00 O ATOM 569 CB ILE A 36 13.505 24.266 4.143 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.624 25.491 5.062 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.105 24.171 3.535 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.253 26.789 4.350 1.00 0.00 C ATOM 0 H ILE A 36 15.669 23.910 5.245 1.00 0.00 H new ATOM 0 HA ILE A 36 13.029 22.869 5.697 1.00 0.00 H new ATOM 0 HB ILE A 36 14.223 24.370 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.976 25.357 5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.645 25.564 5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.894 25.076 2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.053 23.306 2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.369 24.064 4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.353 27.625 5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.918 26.940 3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.223 26.730 3.999 1.00 0.00 H new ATOM 584 N GLU A 37 14.960 21.397 3.495 1.00 0.00 N ATOM 585 CA GLU A 37 15.094 20.213 2.657 1.00 0.00 C ATOM 586 C GLU A 37 14.933 18.934 3.478 1.00 0.00 C ATOM 587 O GLU A 37 14.535 17.902 2.943 1.00 0.00 O ATOM 588 CB GLU A 37 16.453 20.247 1.965 1.00 0.00 C ATOM 589 CG GLU A 37 16.509 21.427 0.991 1.00 0.00 C ATOM 590 CD GLU A 37 17.874 21.563 0.316 1.00 0.00 C ATOM 591 OE1 GLU A 37 18.793 20.796 0.679 1.00 0.00 O ATOM 592 OE2 GLU A 37 17.985 22.443 -0.569 1.00 0.00 O ATOM 0 H GLU A 37 15.825 21.925 3.608 1.00 0.00 H new ATOM 0 HA GLU A 37 14.304 20.215 1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.247 20.338 2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.622 19.313 1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.741 21.301 0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.279 22.348 1.527 1.00 0.00 H new ATOM 599 N ARG A 38 15.245 18.996 4.779 1.00 0.00 N ATOM 600 CA ARG A 38 15.075 17.871 5.690 1.00 0.00 C ATOM 601 C ARG A 38 13.697 17.893 6.343 1.00 0.00 C ATOM 602 O ARG A 38 13.215 16.866 6.818 1.00 0.00 O ATOM 603 CB ARG A 38 16.178 17.912 6.750 1.00 0.00 C ATOM 604 CG ARG A 38 17.545 17.678 6.103 1.00 0.00 C ATOM 605 CD ARG A 38 18.654 17.725 7.152 1.00 0.00 C ATOM 606 NE ARG A 38 18.904 19.098 7.605 1.00 0.00 N ATOM 607 CZ ARG A 38 18.803 19.529 8.866 1.00 0.00 C ATOM 608 NH1 ARG A 38 18.413 18.715 9.846 1.00 0.00 N ATOM 609 NH2 ARG A 38 19.091 20.791 9.157 1.00 0.00 N ATOM 0 H ARG A 38 15.623 19.832 5.224 1.00 0.00 H new ATOM 0 HA ARG A 38 15.151 16.943 5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.169 18.877 7.257 1.00 0.00 H new ATOM 0 HB3 ARG A 38 15.992 17.151 7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.554 16.711 5.600 1.00 0.00 H new ATOM 0 HG3 ARG A 38 17.726 18.436 5.341 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.378 17.104 8.004 1.00 0.00 H new ATOM 0 HD3 ARG A 38 19.569 17.305 6.735 1.00 0.00 H new ATOM 0 HE ARG A 38 19.178 19.781 6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.185 17.742 9.641 1.00 0.00 H new ATOM 0 HH12 ARG A 38 18.343 19.065 10.802 1.00 0.00 H new ATOM 0 HH21 ARG A 38 19.389 21.429 8.419 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.015 21.123 10.119 1.00 0.00 H new ATOM 623 N GLN A 39 13.064 19.067 6.367 1.00 0.00 N ATOM 624 CA GLN A 39 11.750 19.260 6.960 1.00 0.00 C ATOM 625 C GLN A 39 10.638 18.770 6.032 1.00 0.00 C ATOM 626 O GLN A 39 9.580 18.361 6.500 1.00 0.00 O ATOM 627 CB GLN A 39 11.589 20.753 7.247 1.00 0.00 C ATOM 628 CG GLN A 39 10.205 21.093 7.812 1.00 0.00 C ATOM 629 CD GLN A 39 10.117 22.556 8.231 1.00 0.00 C ATOM 630 OE1 GLN A 39 11.124 23.194 8.526 1.00 0.00 O ATOM 631 NE2 GLN A 39 8.904 23.102 8.259 1.00 0.00 N ATOM 0 H GLN A 39 13.459 19.919 5.968 1.00 0.00 H new ATOM 0 HA GLN A 39 11.671 18.679 7.879 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.355 21.069 7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.752 21.317 6.328 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.443 20.882 7.062 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.994 20.454 8.670 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.088 22.544 8.008 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.790 24.078 8.531 1.00 0.00 H new ATOM 640 N PHE A 40 10.888 18.812 4.719 1.00 0.00 N ATOM 641 CA PHE A 40 9.907 18.419 3.714 1.00 0.00 C ATOM 642 C PHE A 40 10.380 17.393 2.683 1.00 0.00 C ATOM 643 O PHE A 40 9.663 17.096 1.729 1.00 0.00 O ATOM 644 CB PHE A 40 9.253 19.648 3.083 1.00 0.00 C ATOM 645 CG PHE A 40 8.317 20.387 4.010 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.599 21.714 4.366 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.172 19.757 4.517 1.00 0.00 C ATOM 648 CE1 PHE A 40 7.741 22.410 5.227 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.316 20.447 5.388 1.00 0.00 C ATOM 650 CZ PHE A 40 6.602 21.776 5.741 1.00 0.00 C ATOM 0 H PHE A 40 11.778 19.120 4.328 1.00 0.00 H new ATOM 0 HA PHE A 40 9.145 17.865 4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.034 20.332 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.701 19.338 2.196 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.480 22.201 3.975 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.948 18.738 4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.957 23.434 5.494 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.439 19.958 5.786 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.943 22.310 6.410 1.00 0.00 H new ATOM 660 N ASN A 41 11.592 16.859 2.878 1.00 0.00 N ATOM 661 CA ASN A 41 12.233 15.939 1.945 1.00 0.00 C ATOM 662 C ASN A 41 12.338 16.553 0.543 1.00 0.00 C ATOM 663 O ASN A 41 12.500 15.844 -0.448 1.00 0.00 O ATOM 664 CB ASN A 41 11.496 14.595 1.961 1.00 0.00 C ATOM 665 CG ASN A 41 12.306 13.480 1.312 1.00 0.00 C ATOM 666 OD1 ASN A 41 13.528 13.553 1.212 1.00 0.00 O ATOM 667 ND2 ASN A 41 11.626 12.431 0.863 1.00 0.00 N ATOM 0 H ASN A 41 12.159 17.060 3.702 1.00 0.00 H new ATOM 0 HA ASN A 41 13.259 15.753 2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.267 14.322 2.991 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.544 14.699 1.440 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.119 11.656 0.420 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.611 12.401 0.961 1.00 0.00 H new ATOM 674 N CYS A 42 12.241 17.884 0.462 1.00 0.00 N ATOM 675 CA CYS A 42 12.314 18.628 -0.783 1.00 0.00 C ATOM 676 C CYS A 42 13.751 19.070 -1.058 1.00 0.00 C ATOM 677 O CYS A 42 14.667 18.755 -0.302 1.00 0.00 O ATOM 678 CB CYS A 42 11.376 19.833 -0.675 1.00 0.00 C ATOM 679 SG CYS A 42 11.959 20.952 0.624 1.00 0.00 S ATOM 0 H CYS A 42 12.107 18.478 1.280 1.00 0.00 H new ATOM 0 HA CYS A 42 12.005 17.999 -1.618 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.334 20.359 -1.629 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.363 19.498 -0.451 1.00 0.00 H new ATOM 0 HG CYS A 42 12.016 22.165 0.159 1.00 0.00 H new ATOM 685 N VAL A 43 13.939 19.815 -2.150 1.00 0.00 N ATOM 686 CA VAL A 43 15.209 20.426 -2.516 1.00 0.00 C ATOM 687 C VAL A 43 14.912 21.868 -2.902 1.00 0.00 C ATOM 688 O VAL A 43 13.879 22.135 -3.514 1.00 0.00 O ATOM 689 CB VAL A 43 15.857 19.651 -3.672 1.00 0.00 C ATOM 690 CG1 VAL A 43 17.087 20.392 -4.201 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.288 18.260 -3.208 1.00 0.00 C ATOM 0 H VAL A 43 13.192 20.012 -2.816 1.00 0.00 H new ATOM 0 HA VAL A 43 15.917 20.401 -1.687 1.00 0.00 H new ATOM 0 HB VAL A 43 15.116 19.563 -4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.530 19.824 -5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.791 21.377 -4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.818 20.503 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.745 17.724 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.010 18.354 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.417 17.708 -2.856 1.00 0.00 H new ATOM 701 N ILE A 44 15.801 22.799 -2.553 1.00 0.00 N ATOM 702 CA ILE A 44 15.583 24.215 -2.825 1.00 0.00 C ATOM 703 C ILE A 44 16.827 24.831 -3.457 1.00 0.00 C ATOM 704 O ILE A 44 17.952 24.457 -3.130 1.00 0.00 O ATOM 705 CB ILE A 44 15.160 24.949 -1.542 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.857 24.349 -0.998 1.00 0.00 C ATOM 707 CG2 ILE A 44 14.975 26.450 -1.803 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.416 25.002 0.312 1.00 0.00 C ATOM 0 H ILE A 44 16.681 22.594 -2.080 1.00 0.00 H new ATOM 0 HA ILE A 44 14.768 24.321 -3.541 1.00 0.00 H new ATOM 0 HB ILE A 44 15.951 24.824 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.069 24.465 -1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.991 23.279 -0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.676 26.946 -0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.914 26.876 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.204 26.595 -2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.489 24.541 0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.190 24.863 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.253 26.068 0.151 1.00 0.00 H new ATOM 720 N THR A 45 16.616 25.787 -4.363 1.00 0.00 N ATOM 721 CA THR A 45 17.678 26.499 -5.056 1.00 0.00 C ATOM 722 C THR A 45 17.471 28.005 -5.125 1.00 0.00 C ATOM 723 O THR A 45 16.340 28.464 -5.283 1.00 0.00 O ATOM 724 CB THR A 45 17.969 25.891 -6.434 1.00 0.00 C ATOM 725 OG1 THR A 45 17.802 24.489 -6.411 1.00 0.00 O ATOM 726 CG2 THR A 45 19.386 26.227 -6.894 1.00 0.00 C ATOM 0 H THR A 45 15.682 26.090 -4.637 1.00 0.00 H new ATOM 0 HA THR A 45 18.568 26.363 -4.442 1.00 0.00 H new ATOM 0 HB THR A 45 17.258 26.323 -7.138 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.991 24.122 -7.300 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.565 25.784 -7.873 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.500 27.309 -6.959 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.105 25.829 -6.178 1.00 0.00 H new ATOM 734 N VAL A 46 18.554 28.775 -5.007 1.00 0.00 N ATOM 735 CA VAL A 46 18.500 30.226 -5.114 1.00 0.00 C ATOM 736 C VAL A 46 19.285 30.711 -6.330 1.00 0.00 C ATOM 737 O VAL A 46 20.265 30.086 -6.727 1.00 0.00 O ATOM 738 CB VAL A 46 18.915 30.901 -3.802 1.00 0.00 C ATOM 739 CG1 VAL A 46 18.525 32.378 -3.823 1.00 0.00 C ATOM 740 CG2 VAL A 46 18.220 30.236 -2.609 1.00 0.00 C ATOM 0 H VAL A 46 19.490 28.407 -4.835 1.00 0.00 H new ATOM 0 HA VAL A 46 17.466 30.526 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 46 19.996 30.799 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.825 32.847 -2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.026 32.875 -4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.445 32.468 -3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.528 30.730 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.139 30.322 -2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.498 29.183 -2.567 1.00 0.00 H new ATOM 750 N HIS A 47 18.844 31.825 -6.919 1.00 0.00 N ATOM 751 CA HIS A 47 19.383 32.345 -8.165 1.00 0.00 C ATOM 752 C HIS A 47 19.821 33.803 -8.039 1.00 0.00 C ATOM 753 O HIS A 47 19.409 34.653 -8.827 1.00 0.00 O ATOM 754 CB HIS A 47 18.355 32.109 -9.269 1.00 0.00 C ATOM 755 CG HIS A 47 18.331 30.673 -9.723 1.00 0.00 C ATOM 756 ND1 HIS A 47 19.300 30.061 -10.494 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.351 29.748 -9.473 1.00 0.00 C ATOM 758 CE1 HIS A 47 18.916 28.790 -10.712 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.735 28.581 -10.103 1.00 0.00 N ATOM 0 H HIS A 47 18.091 32.395 -6.533 1.00 0.00 H new ATOM 0 HA HIS A 47 20.297 31.811 -8.426 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.366 32.392 -8.909 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.581 32.754 -10.118 1.00 0.00 H new ATOM 0 HD1 HIS A 47 20.156 30.496 -10.838 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.452 29.902 -8.895 1.00 0.00 H new ATOM 0 HE1 HIS A 47 19.466 28.057 -11.283 1.00 0.00 H new ATOM 0 HE2 HIS A 47 17.211 27.706 -10.106 1.00 0.00 H new ATOM 768 N THR A 48 20.658 34.093 -7.037 1.00 0.00 N ATOM 769 CA THR A 48 21.154 35.444 -6.784 1.00 0.00 C ATOM 770 C THR A 48 21.976 36.074 -7.907 1.00 0.00 C ATOM 771 O THR A 48 22.242 37.275 -7.880 1.00 0.00 O ATOM 772 CB THR A 48 21.877 35.543 -5.434 1.00 0.00 C ATOM 773 OG1 THR A 48 23.252 35.295 -5.615 1.00 0.00 O ATOM 774 CG2 THR A 48 21.349 34.559 -4.389 1.00 0.00 C ATOM 0 H THR A 48 21.009 33.396 -6.380 1.00 0.00 H new ATOM 0 HA THR A 48 20.248 36.049 -6.745 1.00 0.00 H new ATOM 0 HB THR A 48 21.695 36.552 -5.063 1.00 0.00 H new ATOM 0 HG1 THR A 48 23.713 35.360 -4.752 1.00 0.00 H new ATOM 0 HG21 THR A 48 21.904 34.683 -3.459 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.292 34.752 -4.209 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.474 33.539 -4.753 1.00 0.00 H new ATOM 782 N GLU A 49 22.386 35.274 -8.894 1.00 0.00 N ATOM 783 CA GLU A 49 23.172 35.762 -10.018 1.00 0.00 C ATOM 784 C GLU A 49 22.330 36.612 -10.971 1.00 0.00 C ATOM 785 O GLU A 49 22.885 37.286 -11.834 1.00 0.00 O ATOM 786 CB GLU A 49 23.821 34.588 -10.758 1.00 0.00 C ATOM 787 CG GLU A 49 22.825 33.652 -11.458 1.00 0.00 C ATOM 788 CD GLU A 49 22.169 32.626 -10.529 1.00 0.00 C ATOM 789 OE1 GLU A 49 22.539 32.578 -9.335 1.00 0.00 O ATOM 790 OE2 GLU A 49 21.291 31.891 -11.031 1.00 0.00 O ATOM 0 H GLU A 49 22.181 34.275 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 49 23.958 36.406 -9.624 1.00 0.00 H new ATOM 0 HB2 GLU A 49 24.515 34.981 -11.501 1.00 0.00 H new ATOM 0 HB3 GLU A 49 24.410 34.007 -10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.045 34.253 -11.925 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.342 33.123 -12.258 1.00 0.00 H new ATOM 797 N VAL A 50 20.999 36.587 -10.828 1.00 0.00 N ATOM 798 CA VAL A 50 20.105 37.389 -11.653 1.00 0.00 C ATOM 799 C VAL A 50 19.904 38.811 -11.132 1.00 0.00 C ATOM 800 O VAL A 50 20.227 39.114 -9.985 1.00 0.00 O ATOM 801 CB VAL A 50 18.790 36.643 -11.918 1.00 0.00 C ATOM 802 CG1 VAL A 50 17.769 36.887 -10.808 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.170 37.065 -13.250 1.00 0.00 C ATOM 0 H VAL A 50 20.519 36.010 -10.138 1.00 0.00 H new ATOM 0 HA VAL A 50 20.596 37.527 -12.616 1.00 0.00 H new ATOM 0 HB VAL A 50 19.040 35.583 -11.950 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.852 36.342 -11.031 1.00 0.00 H new ATOM 0 HG12 VAL A 50 18.175 36.540 -9.858 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.551 37.953 -10.742 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.240 36.519 -13.408 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.964 38.135 -13.232 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.864 36.843 -14.061 1.00 0.00 H new ATOM 813 N GLN A 51 19.360 39.681 -11.985 1.00 0.00 N ATOM 814 CA GLN A 51 19.065 41.063 -11.641 1.00 0.00 C ATOM 815 C GLN A 51 17.816 41.507 -12.401 1.00 0.00 C ATOM 816 O GLN A 51 17.895 42.235 -13.390 1.00 0.00 O ATOM 817 CB GLN A 51 20.290 41.934 -11.941 1.00 0.00 C ATOM 818 CG GLN A 51 20.063 43.379 -11.489 1.00 0.00 C ATOM 819 CD GLN A 51 21.319 44.231 -11.631 1.00 0.00 C ATOM 820 OE1 GLN A 51 22.362 43.760 -12.075 1.00 0.00 O ATOM 821 NE2 GLN A 51 21.229 45.505 -11.249 1.00 0.00 N ATOM 0 H GLN A 51 19.111 39.438 -12.944 1.00 0.00 H new ATOM 0 HA GLN A 51 18.854 41.168 -10.577 1.00 0.00 H new ATOM 0 HB2 GLN A 51 21.164 41.524 -11.435 1.00 0.00 H new ATOM 0 HB3 GLN A 51 20.502 41.913 -13.010 1.00 0.00 H new ATOM 0 HG2 GLN A 51 19.259 43.820 -12.078 1.00 0.00 H new ATOM 0 HG3 GLN A 51 19.737 43.386 -10.449 1.00 0.00 H new ATOM 0 HE21 GLN A 51 20.348 45.867 -10.884 1.00 0.00 H new ATOM 0 HE22 GLN A 51 22.041 46.118 -11.322 1.00 0.00 H new ATOM 830 N SER A 52 16.654 41.053 -11.926 1.00 0.00 N ATOM 831 CA SER A 52 15.374 41.352 -12.548 1.00 0.00 C ATOM 832 C SER A 52 14.974 42.803 -12.305 1.00 0.00 C ATOM 833 O SER A 52 15.514 43.471 -11.423 1.00 0.00 O ATOM 834 CB SER A 52 14.300 40.423 -11.989 1.00 0.00 C ATOM 835 OG SER A 52 14.061 40.731 -10.630 1.00 0.00 O ATOM 0 H SER A 52 16.580 40.466 -11.095 1.00 0.00 H new ATOM 0 HA SER A 52 15.471 41.197 -13.623 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.379 40.529 -12.563 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.618 39.385 -12.086 1.00 0.00 H new ATOM 0 HG SER A 52 13.761 39.925 -10.160 1.00 0.00 H new ATOM 841 N SER A 53 14.014 43.290 -13.095 1.00 0.00 N ATOM 842 CA SER A 53 13.466 44.630 -12.935 1.00 0.00 C ATOM 843 C SER A 53 12.588 44.714 -11.686 1.00 0.00 C ATOM 844 O SER A 53 12.176 45.806 -11.297 1.00 0.00 O ATOM 845 CB SER A 53 12.665 44.993 -14.185 1.00 0.00 C ATOM 846 OG SER A 53 11.577 44.108 -14.350 1.00 0.00 O ATOM 0 H SER A 53 13.598 42.763 -13.862 1.00 0.00 H new ATOM 0 HA SER A 53 14.283 45.340 -12.810 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.300 46.017 -14.105 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.311 44.952 -15.062 1.00 0.00 H new ATOM 0 HG SER A 53 11.073 44.355 -15.154 1.00 0.00 H new ATOM 852 N PHE A 54 12.297 43.572 -11.053 1.00 0.00 N ATOM 853 CA PHE A 54 11.497 43.524 -9.840 1.00 0.00 C ATOM 854 C PHE A 54 12.357 43.884 -8.631 1.00 0.00 C ATOM 855 O PHE A 54 11.830 44.075 -7.535 1.00 0.00 O ATOM 856 CB PHE A 54 10.926 42.114 -9.670 1.00 0.00 C ATOM 857 CG PHE A 54 10.152 41.608 -10.866 1.00 0.00 C ATOM 858 CD1 PHE A 54 10.636 40.515 -11.598 1.00 0.00 C ATOM 859 CD2 PHE A 54 8.952 42.223 -11.248 1.00 0.00 C ATOM 860 CE1 PHE A 54 9.924 40.036 -12.705 1.00 0.00 C ATOM 861 CE2 PHE A 54 8.240 41.747 -12.357 1.00 0.00 C ATOM 862 CZ PHE A 54 8.726 40.653 -13.086 1.00 0.00 C ATOM 0 H PHE A 54 12.614 42.657 -11.374 1.00 0.00 H new ATOM 0 HA PHE A 54 10.681 44.243 -9.916 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.745 41.425 -9.464 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.273 42.102 -8.798 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.562 40.040 -11.307 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.575 43.065 -10.687 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.299 39.191 -13.264 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.316 42.223 -12.650 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.177 40.286 -13.941 1.00 0.00 H new ATOM 872 N GLY A 55 13.679 43.975 -8.812 1.00 0.00 N ATOM 873 CA GLY A 55 14.588 44.289 -7.719 1.00 0.00 C ATOM 874 C GLY A 55 14.646 43.143 -6.709 1.00 0.00 C ATOM 875 O GLY A 55 14.838 43.384 -5.519 1.00 0.00 O ATOM 0 H GLY A 55 14.139 43.834 -9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.585 44.481 -8.114 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.262 45.202 -7.221 1.00 0.00 H new ATOM 879 N ALA A 56 14.476 41.904 -7.180 1.00 0.00 N ATOM 880 CA ALA A 56 14.374 40.738 -6.318 1.00 0.00 C ATOM 881 C ALA A 56 15.062 39.525 -6.939 1.00 0.00 C ATOM 882 O ALA A 56 15.374 39.514 -8.129 1.00 0.00 O ATOM 883 CB ALA A 56 12.895 40.459 -6.058 1.00 0.00 C ATOM 0 H ALA A 56 14.406 41.688 -8.174 1.00 0.00 H new ATOM 0 HA ALA A 56 14.883 40.937 -5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.797 39.586 -5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.442 41.323 -5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.389 40.268 -7.004 1.00 0.00 H new ATOM 889 N THR A 57 15.302 38.497 -6.121 1.00 0.00 N ATOM 890 CA THR A 57 15.982 37.280 -6.541 1.00 0.00 C ATOM 891 C THR A 57 14.934 36.167 -6.527 1.00 0.00 C ATOM 892 O THR A 57 14.207 36.017 -5.545 1.00 0.00 O ATOM 893 CB THR A 57 17.085 36.969 -5.523 1.00 0.00 C ATOM 894 OG1 THR A 57 18.199 37.799 -5.776 1.00 0.00 O ATOM 895 CG2 THR A 57 17.541 35.513 -5.619 1.00 0.00 C ATOM 0 H THR A 57 15.025 38.491 -5.139 1.00 0.00 H new ATOM 0 HA THR A 57 16.428 37.378 -7.531 1.00 0.00 H new ATOM 0 HB THR A 57 16.681 37.147 -4.527 1.00 0.00 H new ATOM 0 HG1 THR A 57 18.906 37.605 -5.126 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.323 35.328 -4.883 1.00 0.00 H new ATOM 0 HG22 THR A 57 16.696 34.853 -5.424 1.00 0.00 H new ATOM 0 HG23 THR A 57 17.930 35.319 -6.619 1.00 0.00 H new ATOM 903 N PRO A 58 14.845 35.377 -7.605 1.00 0.00 N ATOM 904 CA PRO A 58 13.949 34.244 -7.694 1.00 0.00 C ATOM 905 C PRO A 58 14.561 33.017 -7.018 1.00 0.00 C ATOM 906 O PRO A 58 15.780 32.895 -6.894 1.00 0.00 O ATOM 907 CB PRO A 58 13.758 34.013 -9.192 1.00 0.00 C ATOM 908 CG PRO A 58 15.113 34.419 -9.768 1.00 0.00 C ATOM 909 CD PRO A 58 15.592 35.534 -8.837 1.00 0.00 C ATOM 0 HA PRO A 58 13.001 34.425 -7.188 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.518 32.973 -9.414 1.00 0.00 H new ATOM 0 HB3 PRO A 58 12.948 34.620 -9.596 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.810 33.581 -9.778 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.021 34.769 -10.796 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.664 35.457 -8.655 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.414 36.514 -9.279 1.00 0.00 H new ATOM 917 N VAL A 59 13.695 32.101 -6.582 1.00 0.00 N ATOM 918 CA VAL A 59 14.083 30.825 -5.992 1.00 0.00 C ATOM 919 C VAL A 59 13.274 29.670 -6.567 1.00 0.00 C ATOM 920 O VAL A 59 12.178 29.881 -7.080 1.00 0.00 O ATOM 921 CB VAL A 59 14.109 30.854 -4.453 1.00 0.00 C ATOM 922 CG1 VAL A 59 14.395 32.252 -3.898 1.00 0.00 C ATOM 923 CG2 VAL A 59 12.790 30.367 -3.851 1.00 0.00 C ATOM 0 H VAL A 59 12.685 32.231 -6.631 1.00 0.00 H new ATOM 0 HA VAL A 59 15.119 30.645 -6.281 1.00 0.00 H new ATOM 0 HB VAL A 59 14.918 30.181 -4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.402 32.217 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 59 15.366 32.594 -4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.621 32.942 -4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.851 30.403 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 59 11.976 31.008 -4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.601 29.342 -4.170 1.00 0.00 H new ATOM 933 N GLU A 60 13.809 28.452 -6.488 1.00 0.00 N ATOM 934 CA GLU A 60 13.187 27.269 -7.060 1.00 0.00 C ATOM 935 C GLU A 60 13.086 26.155 -6.021 1.00 0.00 C ATOM 936 O GLU A 60 13.900 26.088 -5.103 1.00 0.00 O ATOM 937 CB GLU A 60 13.970 26.822 -8.295 1.00 0.00 C ATOM 938 CG GLU A 60 13.750 27.800 -9.451 1.00 0.00 C ATOM 939 CD GLU A 60 14.669 27.514 -10.637 1.00 0.00 C ATOM 940 OE1 GLU A 60 15.638 26.744 -10.460 1.00 0.00 O ATOM 941 OE2 GLU A 60 14.391 28.073 -11.724 1.00 0.00 O ATOM 0 H GLU A 60 14.695 28.262 -6.020 1.00 0.00 H new ATOM 0 HA GLU A 60 12.170 27.511 -7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.032 26.763 -8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.653 25.822 -8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.712 27.745 -9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.920 28.818 -9.100 1.00 0.00 H new ATOM 948 N ILE A 61 12.084 25.285 -6.169 1.00 0.00 N ATOM 949 CA ILE A 61 11.821 24.204 -5.227 1.00 0.00 C ATOM 950 C ILE A 61 11.446 22.940 -5.993 1.00 0.00 C ATOM 951 O ILE A 61 10.830 23.021 -7.055 1.00 0.00 O ATOM 952 CB ILE A 61 10.688 24.604 -4.266 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.961 25.976 -3.636 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.467 23.521 -3.202 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.815 26.434 -2.737 1.00 0.00 C ATOM 0 H ILE A 61 11.431 25.314 -6.952 1.00 0.00 H new ATOM 0 HA ILE A 61 12.719 24.011 -4.640 1.00 0.00 H new ATOM 0 HB ILE A 61 9.766 24.690 -4.840 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.882 25.930 -3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.119 26.712 -4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.661 23.826 -2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.200 22.583 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.383 23.384 -2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.053 27.410 -2.313 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.899 26.506 -3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.674 25.713 -1.932 1.00 0.00 H new ATOM 967 N VAL A 62 11.818 21.781 -5.450 1.00 0.00 N ATOM 968 CA VAL A 62 11.490 20.480 -6.024 1.00 0.00 C ATOM 969 C VAL A 62 11.123 19.515 -4.903 1.00 0.00 C ATOM 970 O VAL A 62 11.727 19.551 -3.833 1.00 0.00 O ATOM 971 CB VAL A 62 12.671 19.935 -6.839 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.336 18.552 -7.394 1.00 0.00 C ATOM 973 CG2 VAL A 62 13.021 20.863 -8.001 1.00 0.00 C ATOM 0 H VAL A 62 12.362 21.720 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 62 10.641 20.589 -6.698 1.00 0.00 H new ATOM 0 HB VAL A 62 13.529 19.871 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.182 18.177 -7.970 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.127 17.870 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.460 18.621 -8.039 1.00 0.00 H new ATOM 0 HG21 VAL A 62 13.861 20.448 -8.558 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.160 20.959 -8.662 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.292 21.845 -7.613 1.00 0.00 H new ATOM 983 N ALA A 63 10.138 18.651 -5.148 1.00 0.00 N ATOM 984 CA ALA A 63 9.701 17.656 -4.179 1.00 0.00 C ATOM 985 C ALA A 63 9.004 16.506 -4.901 1.00 0.00 C ATOM 986 O ALA A 63 8.778 16.568 -6.107 1.00 0.00 O ATOM 987 CB ALA A 63 8.756 18.310 -3.173 1.00 0.00 C ATOM 0 H ALA A 63 9.622 18.624 -6.027 1.00 0.00 H new ATOM 0 HA ALA A 63 10.564 17.258 -3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.427 17.567 -2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.276 19.117 -2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.889 18.713 -3.697 1.00 0.00 H new ATOM 993 N GLN A 64 8.659 15.451 -4.164 1.00 0.00 N ATOM 994 CA GLN A 64 8.007 14.280 -4.734 1.00 0.00 C ATOM 995 C GLN A 64 6.552 14.570 -5.098 1.00 0.00 C ATOM 996 O GLN A 64 5.967 13.855 -5.911 1.00 0.00 O ATOM 997 CB GLN A 64 8.052 13.125 -3.731 1.00 0.00 C ATOM 998 CG GLN A 64 9.481 12.740 -3.338 1.00 0.00 C ATOM 999 CD GLN A 64 10.122 13.717 -2.354 1.00 0.00 C ATOM 1000 OE1 GLN A 64 9.435 14.456 -1.654 1.00 0.00 O ATOM 1001 NE2 GLN A 64 11.452 13.732 -2.293 1.00 0.00 N ATOM 0 H GLN A 64 8.824 15.387 -3.159 1.00 0.00 H new ATOM 0 HA GLN A 64 8.542 14.011 -5.644 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.496 13.404 -2.836 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.551 12.257 -4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.473 11.744 -2.896 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.095 12.685 -4.237 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.997 13.107 -2.887 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.926 14.369 -1.653 1.00 0.00 H new ATOM 1010 N ASN A 65 5.964 15.612 -4.507 1.00 0.00 N ATOM 1011 CA ASN A 65 4.558 15.922 -4.686 1.00 0.00 C ATOM 1012 C ASN A 65 4.245 17.360 -4.263 1.00 0.00 C ATOM 1013 O ASN A 65 5.074 18.026 -3.642 1.00 0.00 O ATOM 1014 CB ASN A 65 3.738 14.913 -3.873 1.00 0.00 C ATOM 1015 CG ASN A 65 4.154 14.889 -2.409 1.00 0.00 C ATOM 1016 OD1 ASN A 65 4.260 15.931 -1.769 1.00 0.00 O ATOM 1017 ND2 ASN A 65 4.391 13.699 -1.866 1.00 0.00 N ATOM 0 H ASN A 65 6.456 16.260 -3.892 1.00 0.00 H new ATOM 0 HA ASN A 65 4.297 15.845 -5.742 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.680 15.164 -3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.860 13.918 -4.301 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.671 13.632 -0.887 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.293 12.853 -2.428 1.00 0.00 H new ATOM 1024 N LYS A 66 3.044 17.847 -4.594 1.00 0.00 N ATOM 1025 CA LYS A 66 2.606 19.184 -4.193 1.00 0.00 C ATOM 1026 C LYS A 66 2.345 19.267 -2.692 1.00 0.00 C ATOM 1027 O LYS A 66 2.386 20.355 -2.123 1.00 0.00 O ATOM 1028 CB LYS A 66 1.330 19.556 -4.949 1.00 0.00 C ATOM 1029 CG LYS A 66 1.596 19.753 -6.440 1.00 0.00 C ATOM 1030 CD LYS A 66 0.281 20.120 -7.131 1.00 0.00 C ATOM 1031 CE LYS A 66 0.478 20.368 -8.631 1.00 0.00 C ATOM 1032 NZ LYS A 66 1.316 21.553 -8.885 1.00 0.00 N ATOM 0 H LYS A 66 2.356 17.330 -5.142 1.00 0.00 H new ATOM 0 HA LYS A 66 3.406 19.882 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.584 18.773 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.912 20.471 -4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.334 20.541 -6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.009 18.842 -6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.442 19.317 -6.987 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.137 21.013 -6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.940 19.492 -9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.493 20.501 -9.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.157 21.889 -9.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.065 22.306 -8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.318 21.302 -8.766 1.00 0.00 H new ATOM 1046 N GLU A 67 2.080 18.128 -2.051 1.00 0.00 N ATOM 1047 CA GLU A 67 1.761 18.076 -0.630 1.00 0.00 C ATOM 1048 C GLU A 67 2.980 18.398 0.238 1.00 0.00 C ATOM 1049 O GLU A 67 2.857 18.494 1.456 1.00 0.00 O ATOM 1050 CB GLU A 67 1.212 16.689 -0.276 1.00 0.00 C ATOM 1051 CG GLU A 67 -0.032 16.319 -1.094 1.00 0.00 C ATOM 1052 CD GLU A 67 -1.231 17.233 -0.823 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -1.182 18.017 0.152 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -2.201 17.137 -1.609 1.00 0.00 O ATOM 0 H GLU A 67 2.081 17.215 -2.507 1.00 0.00 H new ATOM 0 HA GLU A 67 1.005 18.834 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.988 15.942 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.966 16.660 0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.214 16.360 -2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.312 15.289 -0.871 1.00 0.00 H new ATOM 1061 N GLN A 68 4.155 18.567 -0.378 1.00 0.00 N ATOM 1062 CA GLN A 68 5.382 18.905 0.327 1.00 0.00 C ATOM 1063 C GLN A 68 6.113 20.062 -0.358 1.00 0.00 C ATOM 1064 O GLN A 68 6.905 20.746 0.284 1.00 0.00 O ATOM 1065 CB GLN A 68 6.286 17.670 0.391 1.00 0.00 C ATOM 1066 CG GLN A 68 5.629 16.517 1.155 1.00 0.00 C ATOM 1067 CD GLN A 68 6.343 15.193 0.901 1.00 0.00 C ATOM 1068 OE1 GLN A 68 5.706 14.154 0.760 1.00 0.00 O ATOM 1069 NE2 GLN A 68 7.671 15.212 0.841 1.00 0.00 N ATOM 0 H GLN A 68 4.275 18.471 -1.386 1.00 0.00 H new ATOM 0 HA GLN A 68 5.127 19.226 1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.526 17.344 -0.621 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.227 17.934 0.873 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.638 16.736 2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.584 16.431 0.856 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.174 16.091 0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.186 14.348 0.674 1.00 0.00 H new ATOM 1078 N CYS A 69 5.858 20.291 -1.651 1.00 0.00 N ATOM 1079 CA CYS A 69 6.520 21.370 -2.370 1.00 0.00 C ATOM 1080 C CYS A 69 5.889 22.706 -1.978 1.00 0.00 C ATOM 1081 O CYS A 69 6.591 23.699 -1.814 1.00 0.00 O ATOM 1082 CB CYS A 69 6.359 21.134 -3.875 1.00 0.00 C ATOM 1083 SG CYS A 69 7.588 22.122 -4.763 1.00 0.00 S ATOM 0 H CYS A 69 5.203 19.746 -2.211 1.00 0.00 H new ATOM 0 HA CYS A 69 7.580 21.393 -2.117 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.488 20.077 -4.106 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.354 21.409 -4.194 1.00 0.00 H new ATOM 0 HG CYS A 69 7.914 21.519 -5.868 1.00 0.00 H new ATOM 1089 N GLN A 70 4.560 22.737 -1.823 1.00 0.00 N ATOM 1090 CA GLN A 70 3.855 23.952 -1.433 1.00 0.00 C ATOM 1091 C GLN A 70 4.170 24.299 0.018 1.00 0.00 C ATOM 1092 O GLN A 70 4.266 25.473 0.369 1.00 0.00 O ATOM 1093 CB GLN A 70 2.348 23.752 -1.590 1.00 0.00 C ATOM 1094 CG GLN A 70 1.941 23.427 -3.030 1.00 0.00 C ATOM 1095 CD GLN A 70 2.105 24.606 -3.983 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.432 25.718 -3.575 1.00 0.00 O ATOM 1097 NE2 GLN A 70 1.874 24.361 -5.271 1.00 0.00 N ATOM 0 H GLN A 70 3.954 21.929 -1.964 1.00 0.00 H new ATOM 0 HA GLN A 70 4.183 24.768 -2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.023 22.945 -0.934 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.830 24.655 -1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.541 22.591 -3.390 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.901 23.101 -3.042 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.604 23.424 -5.572 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.967 25.110 -5.957 1.00 0.00 H new ATOM 1106 N GLU A 71 4.332 23.281 0.866 1.00 0.00 N ATOM 1107 CA GLU A 71 4.639 23.504 2.268 1.00 0.00 C ATOM 1108 C GLU A 71 6.069 24.015 2.403 1.00 0.00 C ATOM 1109 O GLU A 71 6.365 24.778 3.317 1.00 0.00 O ATOM 1110 CB GLU A 71 4.461 22.198 3.046 1.00 0.00 C ATOM 1111 CG GLU A 71 3.059 21.600 2.868 1.00 0.00 C ATOM 1112 CD GLU A 71 1.947 22.505 3.406 1.00 0.00 C ATOM 1113 OE1 GLU A 71 2.267 23.480 4.118 1.00 0.00 O ATOM 1114 OE2 GLU A 71 0.773 22.206 3.097 1.00 0.00 O ATOM 0 H GLU A 71 4.255 22.299 0.601 1.00 0.00 H new ATOM 0 HA GLU A 71 3.960 24.251 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.206 21.475 2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.644 22.381 4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.884 21.409 1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.014 20.637 3.377 1.00 0.00 H new ATOM 1121 N ALA A 72 6.963 23.603 1.496 1.00 0.00 N ATOM 1122 CA ALA A 72 8.343 24.064 1.494 1.00 0.00 C ATOM 1123 C ALA A 72 8.446 25.476 0.912 1.00 0.00 C ATOM 1124 O ALA A 72 9.401 26.193 1.202 1.00 0.00 O ATOM 1125 CB ALA A 72 9.188 23.082 0.688 1.00 0.00 C ATOM 0 H ALA A 72 6.745 22.944 0.749 1.00 0.00 H new ATOM 0 HA ALA A 72 8.713 24.107 2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.225 23.417 0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.130 22.093 1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.813 23.034 -0.334 1.00 0.00 H new ATOM 1131 N ARG A 73 7.467 25.882 0.093 1.00 0.00 N ATOM 1132 CA ARG A 73 7.415 27.232 -0.451 1.00 0.00 C ATOM 1133 C ARG A 73 6.881 28.192 0.601 1.00 0.00 C ATOM 1134 O ARG A 73 7.462 29.246 0.848 1.00 0.00 O ATOM 1135 CB ARG A 73 6.501 27.251 -1.679 1.00 0.00 C ATOM 1136 CG ARG A 73 6.431 28.653 -2.295 1.00 0.00 C ATOM 1137 CD ARG A 73 5.175 28.772 -3.157 1.00 0.00 C ATOM 1138 NE ARG A 73 5.066 30.096 -3.776 1.00 0.00 N ATOM 1139 CZ ARG A 73 4.437 31.125 -3.201 1.00 0.00 C ATOM 1140 NH1 ARG A 73 3.909 30.988 -1.989 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.336 32.292 -3.829 1.00 0.00 N ATOM 0 H ARG A 73 6.697 25.283 -0.205 1.00 0.00 H new ATOM 0 HA ARG A 73 8.419 27.544 -0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.869 26.543 -2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.500 26.925 -1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.417 29.407 -1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.318 28.840 -2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.193 28.007 -3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.294 28.583 -2.544 1.00 0.00 H new ATOM 0 HE ARG A 73 5.492 30.239 -4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.984 30.097 -1.498 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.429 31.774 -1.550 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.741 32.408 -4.758 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.854 33.072 -3.382 1.00 0.00 H new ATOM 1155 N ASN A 74 5.759 27.816 1.220 1.00 0.00 N ATOM 1156 CA ASN A 74 5.088 28.653 2.195 1.00 0.00 C ATOM 1157 C ASN A 74 5.870 28.726 3.508 1.00 0.00 C ATOM 1158 O ASN A 74 5.616 29.604 4.331 1.00 0.00 O ATOM 1159 CB ASN A 74 3.659 28.134 2.384 1.00 0.00 C ATOM 1160 CG ASN A 74 2.843 28.327 1.112 1.00 0.00 C ATOM 1161 OD1 ASN A 74 2.947 29.355 0.448 1.00 0.00 O ATOM 1162 ND2 ASN A 74 2.023 27.345 0.756 1.00 0.00 N ATOM 0 H ASN A 74 5.297 26.922 1.054 1.00 0.00 H new ATOM 0 HA ASN A 74 5.039 29.679 1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.683 27.077 2.650 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.182 28.660 3.211 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.458 27.433 -0.089 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.958 26.503 1.327 1.00 0.00 H new ATOM 1169 N ALA A 75 6.824 27.811 3.705 1.00 0.00 N ATOM 1170 CA ALA A 75 7.735 27.858 4.837 1.00 0.00 C ATOM 1171 C ALA A 75 8.829 28.907 4.623 1.00 0.00 C ATOM 1172 O ALA A 75 9.656 29.111 5.507 1.00 0.00 O ATOM 1173 CB ALA A 75 8.347 26.475 5.045 1.00 0.00 C ATOM 0 H ALA A 75 6.981 27.020 3.081 1.00 0.00 H new ATOM 0 HA ALA A 75 7.178 28.146 5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.031 26.504 5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.555 25.753 5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.892 26.180 4.148 1.00 0.00 H new ATOM 1179 N VAL A 76 8.836 29.570 3.458 1.00 0.00 N ATOM 1180 CA VAL A 76 9.820 30.594 3.118 1.00 0.00 C ATOM 1181 C VAL A 76 9.161 31.949 2.865 1.00 0.00 C ATOM 1182 O VAL A 76 9.850 32.948 2.663 1.00 0.00 O ATOM 1183 CB VAL A 76 10.680 30.117 1.937 1.00 0.00 C ATOM 1184 CG1 VAL A 76 11.843 31.063 1.631 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.284 28.750 2.250 1.00 0.00 C ATOM 0 H VAL A 76 8.150 29.405 2.722 1.00 0.00 H new ATOM 0 HA VAL A 76 10.483 30.746 3.970 1.00 0.00 H new ATOM 0 HB VAL A 76 10.015 30.080 1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.415 30.675 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.453 32.050 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.490 31.139 2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.892 28.419 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.908 28.823 3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.484 28.030 2.425 1.00 0.00 H new ATOM 1195 N MET A 77 7.827 32.008 2.873 1.00 0.00 N ATOM 1196 CA MET A 77 7.123 33.255 2.617 1.00 0.00 C ATOM 1197 C MET A 77 6.998 34.129 3.866 1.00 0.00 C ATOM 1198 O MET A 77 6.638 35.300 3.750 1.00 0.00 O ATOM 1199 CB MET A 77 5.735 32.960 2.045 1.00 0.00 C ATOM 1200 CG MET A 77 5.790 32.299 0.666 1.00 0.00 C ATOM 1201 SD MET A 77 6.456 33.350 -0.652 1.00 0.00 S ATOM 1202 CE MET A 77 8.161 32.744 -0.704 1.00 0.00 C ATOM 0 H MET A 77 7.220 31.208 3.054 1.00 0.00 H new ATOM 0 HA MET A 77 7.714 33.815 1.893 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.194 32.310 2.733 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.171 33.890 1.975 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.398 31.397 0.735 1.00 0.00 H new ATOM 0 HG3 MET A 77 4.784 31.985 0.388 1.00 0.00 H new ATOM 0 HE1 MET A 77 8.846 33.589 -0.771 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.373 32.176 0.202 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.292 32.101 -1.574 1.00 0.00 H new ATOM 1212 N SER A 78 7.282 33.587 5.055 1.00 0.00 N ATOM 1213 CA SER A 78 7.205 34.373 6.284 1.00 0.00 C ATOM 1214 C SER A 78 8.011 33.754 7.424 1.00 0.00 C ATOM 1215 O SER A 78 8.608 34.482 8.214 1.00 0.00 O ATOM 1216 CB SER A 78 5.736 34.501 6.690 1.00 0.00 C ATOM 1217 OG SER A 78 5.623 35.236 7.893 1.00 0.00 O ATOM 0 H SER A 78 7.564 32.616 5.189 1.00 0.00 H new ATOM 0 HA SER A 78 7.639 35.354 6.089 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.174 34.997 5.898 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.299 33.511 6.818 1.00 0.00 H new ATOM 0 HG SER A 78 4.678 35.313 8.142 1.00 0.00 H new ATOM 1223 N LEU A 79 8.034 32.421 7.521 1.00 0.00 N ATOM 1224 CA LEU A 79 8.756 31.748 8.594 1.00 0.00 C ATOM 1225 C LEU A 79 10.245 31.656 8.269 1.00 0.00 C ATOM 1226 O LEU A 79 11.089 31.899 9.128 1.00 0.00 O ATOM 1227 CB LEU A 79 8.175 30.344 8.806 1.00 0.00 C ATOM 1228 CG LEU A 79 6.662 30.363 9.055 1.00 0.00 C ATOM 1229 CD1 LEU A 79 6.164 28.929 9.253 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.325 31.174 10.303 1.00 0.00 C ATOM 0 H LEU A 79 7.562 31.793 6.870 1.00 0.00 H new ATOM 0 HA LEU A 79 8.642 32.328 9.510 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.388 29.731 7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.673 29.873 9.653 1.00 0.00 H new ATOM 0 HG LEU A 79 6.178 30.822 8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.089 28.939 9.430 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.379 28.342 8.360 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.669 28.484 10.110 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.246 31.172 10.458 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.817 30.730 11.169 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.671 32.200 10.175 1.00 0.00 H new ATOM 1242 N MET A 80 10.545 31.302 7.014 1.00 0.00 N ATOM 1243 CA MET A 80 11.884 31.164 6.453 1.00 0.00 C ATOM 1244 C MET A 80 12.783 30.176 7.203 1.00 0.00 C ATOM 1245 O MET A 80 13.919 29.958 6.787 1.00 0.00 O ATOM 1246 CB MET A 80 12.530 32.540 6.288 1.00 0.00 C ATOM 1247 CG MET A 80 11.593 33.460 5.505 1.00 0.00 C ATOM 1248 SD MET A 80 12.371 34.984 4.915 1.00 0.00 S ATOM 1249 CE MET A 80 13.293 34.279 3.527 1.00 0.00 C ATOM 0 H MET A 80 9.818 31.094 6.330 1.00 0.00 H new ATOM 0 HA MET A 80 11.767 30.714 5.467 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.745 32.971 7.266 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.482 32.445 5.766 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.196 32.913 4.650 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.745 33.720 6.138 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.144 34.919 3.293 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.649 33.284 3.795 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.642 34.209 2.656 1.00 0.00 H new ATOM 1259 N GLN A 81 12.291 29.576 8.296 1.00 0.00 N ATOM 1260 CA GLN A 81 13.009 28.591 9.093 1.00 0.00 C ATOM 1261 C GLN A 81 14.413 29.068 9.489 1.00 0.00 C ATOM 1262 O GLN A 81 15.297 28.253 9.741 1.00 0.00 O ATOM 1263 CB GLN A 81 13.023 27.237 8.373 1.00 0.00 C ATOM 1264 CG GLN A 81 11.607 26.764 8.025 1.00 0.00 C ATOM 1265 CD GLN A 81 10.722 26.556 9.249 1.00 0.00 C ATOM 1266 OE1 GLN A 81 11.204 26.360 10.361 1.00 0.00 O ATOM 1267 NE2 GLN A 81 9.408 26.600 9.058 1.00 0.00 N ATOM 0 H GLN A 81 11.356 29.773 8.654 1.00 0.00 H new ATOM 0 HA GLN A 81 12.475 28.462 10.034 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.614 27.316 7.461 1.00 0.00 H new ATOM 0 HB3 GLN A 81 13.510 26.494 9.005 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.139 27.496 7.367 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.670 25.829 7.468 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.034 26.764 8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.773 26.469 9.846 1.00 0.00 H new ATOM 1276 N SER A 82 14.616 30.390 9.537 1.00 0.00 N ATOM 1277 CA SER A 82 15.906 31.013 9.788 1.00 0.00 C ATOM 1278 C SER A 82 16.360 30.916 11.248 1.00 0.00 C ATOM 1279 O SER A 82 17.370 31.514 11.616 1.00 0.00 O ATOM 1280 CB SER A 82 15.853 32.472 9.332 1.00 0.00 C ATOM 1281 OG SER A 82 14.896 33.187 10.086 1.00 0.00 O ATOM 0 H SER A 82 13.865 31.066 9.398 1.00 0.00 H new ATOM 0 HA SER A 82 16.651 30.462 9.213 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.834 32.932 9.447 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.601 32.520 8.273 1.00 0.00 H new ATOM 0 HG SER A 82 14.873 34.120 9.786 1.00 0.00 H new ATOM 1287 N HIS A 83 15.627 30.174 12.085 1.00 0.00 N ATOM 1288 CA HIS A 83 15.967 29.974 13.488 1.00 0.00 C ATOM 1289 C HIS A 83 17.283 29.215 13.643 1.00 0.00 C ATOM 1290 O HIS A 83 17.734 28.547 12.715 1.00 0.00 O ATOM 1291 CB HIS A 83 14.827 29.220 14.177 1.00 0.00 C ATOM 1292 CG HIS A 83 14.360 28.027 13.385 1.00 0.00 C ATOM 1293 ND1 HIS A 83 15.144 26.985 12.918 1.00 0.00 N ATOM 1294 CD2 HIS A 83 13.071 27.777 13.018 1.00 0.00 C ATOM 1295 CE1 HIS A 83 14.338 26.117 12.282 1.00 0.00 C ATOM 1296 NE2 HIS A 83 13.073 26.582 12.325 1.00 0.00 N ATOM 0 H HIS A 83 14.774 29.693 11.800 1.00 0.00 H new ATOM 0 HA HIS A 83 16.100 30.948 13.958 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.157 28.891 15.162 1.00 0.00 H new ATOM 0 HB3 HIS A 83 13.989 29.899 14.332 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.211 28.396 13.229 1.00 0.00 H new ATOM 0 HE1 HIS A 83 14.653 25.197 11.813 1.00 0.00 H new ATOM 0 HE2 HIS A 83 12.256 26.128 11.915 1.00 0.00 H new ATOM 1305 N GLN A 84 17.893 29.313 14.826 1.00 0.00 N ATOM 1306 CA GLN A 84 19.150 28.637 15.121 1.00 0.00 C ATOM 1307 C GLN A 84 18.960 27.127 15.283 1.00 0.00 C ATOM 1308 O GLN A 84 19.940 26.391 15.371 1.00 0.00 O ATOM 1309 CB GLN A 84 19.768 29.230 16.387 1.00 0.00 C ATOM 1310 CG GLN A 84 20.047 30.732 16.233 1.00 0.00 C ATOM 1311 CD GLN A 84 20.957 31.042 15.048 1.00 0.00 C ATOM 1312 OE1 GLN A 84 20.731 32.007 14.326 1.00 0.00 O ATOM 1313 NE2 GLN A 84 21.995 30.234 14.835 1.00 0.00 N ATOM 0 H GLN A 84 17.527 29.863 15.603 1.00 0.00 H new ATOM 0 HA GLN A 84 19.822 28.793 14.277 1.00 0.00 H new ATOM 0 HB2 GLN A 84 19.096 29.069 17.230 1.00 0.00 H new ATOM 0 HB3 GLN A 84 20.697 28.709 16.617 1.00 0.00 H new ATOM 0 HG2 GLN A 84 19.103 31.262 16.109 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.506 31.108 17.147 1.00 0.00 H new ATOM 0 HE21 GLN A 84 22.158 29.439 15.453 1.00 0.00 H new ATOM 0 HE22 GLN A 84 22.627 30.411 14.054 1.00 0.00 H new ATOM 1322 N ASP A 85 17.707 26.659 15.319 1.00 0.00 N ATOM 1323 CA ASP A 85 17.378 25.243 15.412 1.00 0.00 C ATOM 1324 C ASP A 85 17.610 24.517 14.083 1.00 0.00 C ATOM 1325 O ASP A 85 16.663 24.118 13.406 1.00 0.00 O ATOM 1326 CB ASP A 85 15.961 25.063 15.969 1.00 0.00 C ATOM 1327 CG ASP A 85 15.483 23.611 15.964 1.00 0.00 C ATOM 1328 OD1 ASP A 85 14.248 23.418 15.977 1.00 0.00 O ATOM 1329 OD2 ASP A 85 16.351 22.706 15.948 1.00 0.00 O ATOM 0 H ASP A 85 16.887 27.265 15.284 1.00 0.00 H new ATOM 0 HA ASP A 85 18.059 24.769 16.119 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.929 25.444 16.990 1.00 0.00 H new ATOM 0 HB3 ASP A 85 15.269 25.667 15.382 1.00 0.00 H new ATOM 1334 N LYS A 86 18.885 24.362 13.718 1.00 0.00 N ATOM 1335 CA LYS A 86 19.307 23.686 12.498 1.00 0.00 C ATOM 1336 C LYS A 86 18.938 22.204 12.541 1.00 0.00 C ATOM 1337 O LYS A 86 18.287 21.752 11.574 1.00 0.00 O ATOM 1338 CB LYS A 86 20.811 23.884 12.311 1.00 0.00 C ATOM 1339 CG LYS A 86 21.315 23.151 11.068 1.00 0.00 C ATOM 1340 CD LYS A 86 22.821 23.362 10.932 1.00 0.00 C ATOM 1341 CE LYS A 86 23.339 22.622 9.696 1.00 0.00 C ATOM 1342 NZ LYS A 86 24.796 22.799 9.547 1.00 0.00 N ATOM 0 H LYS A 86 19.664 24.711 14.276 1.00 0.00 H new ATOM 0 HA LYS A 86 18.786 24.119 11.644 1.00 0.00 H new ATOM 0 HB2 LYS A 86 21.032 24.948 12.224 1.00 0.00 H new ATOM 0 HB3 LYS A 86 21.341 23.519 13.191 1.00 0.00 H new ATOM 0 HG2 LYS A 86 21.091 22.087 11.144 1.00 0.00 H new ATOM 0 HG3 LYS A 86 20.803 23.522 10.180 1.00 0.00 H new ATOM 0 HD2 LYS A 86 23.042 24.426 10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 86 23.330 22.999 11.825 1.00 0.00 H new ATOM 0 HE2 LYS A 86 23.104 21.561 9.778 1.00 0.00 H new ATOM 0 HE3 LYS A 86 22.831 22.993 8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 25.123 22.288 8.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 25.014 23.811 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 25.279 22.423 10.388 1.00 0.00 H new TER 1356 LYS A 86