USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 919 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 93 ASN : amide:sc= -2.55! K(o=-2.6!,f=1.4) USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= -0.0772 USER MOD Set 2.1: A 59 MET CE :methyl -134:sc= -3.25 (180deg=-2.85!) USER MOD Set 2.2: A 88 MET CE :methyl 161:sc= -5.08! (180deg=-3.17) USER MOD Set 2.3: A 90 SER OG : rot 180:sc= -0.909 USER MOD Set 3.1: A 51 THR OG1 : rot 110:sc= 0.733 USER MOD Set 3.2: A 97 MET CE :methyl -173:sc= -0.151 (180deg=-0.0229) USER MOD Set 4.1: A 19 ASN : amide:sc= -0.404 X(o=-0.37,f=0.081) USER MOD Set 4.2: A 28 THR OG1 : rot 180:sc= 0.0352 USER MOD Set 5.1: A 2 SER OG : rot 180:sc= -0.0942 USER MOD Set 5.2: A 3 HIS : no HD1:sc= 0 X(o=-0.094,f=-0.094) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0033 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 170:sc= 0.292 USER MOD Single : A 32 THR OG1 : rot 83:sc= 0.0377 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -3.21 K(o=-3.2,f=-1.1) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 170:sc= -0.0488 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.3) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 175:sc= -0.984 USER MOD Single : A 57 LYS NZ :NH3+ -139:sc= -1.26 (180deg=-3.29!) USER MOD Single : A 58 MET CE :methyl -154:sc= -4.76! (180deg=-5.17!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -152:sc= 1.16 (180deg=1.09) USER MOD Single : A 75 ASN : amide:sc= -0.0687 X(o=-0.069,f=-0.075) USER MOD Single : A 78 ASN : amide:sc= -0.3 K(o=-0.3,f=-1.5) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HE2:sc= 0.0719 X(o=0.072,f=-0.36) USER MOD Single : A 92 ASN : amide:sc= -2.98! K(o=-3!,f=-1.3) USER MOD Single : A 99 ASN : amide:sc= -1.59 K(o=-1.6,f=-0.66) USER MOD Single : A 101 LYS NZ :NH3+ 151:sc= -0.379 (180deg=-1.31!) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= -2.1 USER MOD Single : A 112 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0583) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -14.291 11.779 7.662 1.00 0.00 N ATOM 2 CA PRO A 1 -14.668 10.677 6.756 1.00 0.00 C ATOM 3 C PRO A 1 -13.642 10.482 5.641 1.00 0.00 C ATOM 4 O PRO A 1 -12.937 11.417 5.261 1.00 0.00 O ATOM 5 CB PRO A 1 -16.030 11.039 6.176 1.00 0.00 C ATOM 6 CG PRO A 1 -16.535 12.142 7.058 1.00 0.00 C ATOM 7 CD PRO A 1 -15.322 12.826 7.658 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.396 12.174 7.372 1.00 0.00 H new ATOM 0 H3 PRO A 1 -14.166 11.421 8.609 1.00 0.00 H new ATOM 0 HA PRO A 1 -14.705 9.734 7.302 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -15.945 11.367 5.140 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -16.705 10.183 6.185 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -17.132 12.851 6.484 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -17.179 11.744 7.842 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -15.015 13.687 7.064 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -15.526 13.190 8.665 1.00 0.00 H new ATOM 17 N SER A 2 -13.564 9.261 5.121 1.00 0.00 N ATOM 18 CA SER A 2 -12.626 8.943 4.051 1.00 0.00 C ATOM 19 C SER A 2 -11.190 9.218 4.486 1.00 0.00 C ATOM 20 O SER A 2 -10.954 9.866 5.505 1.00 0.00 O ATOM 21 CB SER A 2 -12.957 9.755 2.797 1.00 0.00 C ATOM 22 OG SER A 2 -12.168 9.338 1.696 1.00 0.00 O ATOM 0 H SER A 2 -14.140 8.475 5.424 1.00 0.00 H new ATOM 0 HA SER A 2 -12.719 7.881 3.823 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.014 9.641 2.555 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.786 10.814 2.990 1.00 0.00 H new ATOM 0 HG SER A 2 -12.400 9.871 0.907 1.00 0.00 H new ATOM 28 N HIS A 3 -10.235 8.721 3.704 1.00 0.00 N ATOM 29 CA HIS A 3 -8.820 8.911 4.005 1.00 0.00 C ATOM 30 C HIS A 3 -8.449 8.249 5.328 1.00 0.00 C ATOM 31 O HIS A 3 -9.099 8.471 6.350 1.00 0.00 O ATOM 32 CB HIS A 3 -8.480 10.402 4.051 1.00 0.00 C ATOM 33 CG HIS A 3 -8.123 10.975 2.715 1.00 0.00 C ATOM 34 ND1 HIS A 3 -9.064 11.327 1.770 1.00 0.00 N ATOM 35 CD2 HIS A 3 -6.917 11.259 2.166 1.00 0.00 C ATOM 36 CE1 HIS A 3 -8.454 11.800 0.699 1.00 0.00 C ATOM 37 NE2 HIS A 3 -7.152 11.770 0.914 1.00 0.00 N ATOM 0 H HIS A 3 -10.416 8.183 2.856 1.00 0.00 H new ATOM 0 HA HIS A 3 -8.241 8.440 3.211 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -9.332 10.948 4.456 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -7.647 10.556 4.738 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.952 11.111 2.627 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.938 12.152 -0.200 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.436 12.077 0.256 1.00 0.00 H new ATOM 46 N SER A 4 -7.399 7.437 5.301 1.00 0.00 N ATOM 47 CA SER A 4 -6.936 6.739 6.495 1.00 0.00 C ATOM 48 C SER A 4 -7.998 5.775 7.012 1.00 0.00 C ATOM 49 O SER A 4 -9.148 6.155 7.230 1.00 0.00 O ATOM 50 CB SER A 4 -6.565 7.743 7.588 1.00 0.00 C ATOM 51 OG SER A 4 -5.721 8.762 7.080 1.00 0.00 O ATOM 0 H SER A 4 -6.850 7.245 4.463 1.00 0.00 H new ATOM 0 HA SER A 4 -6.051 6.163 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.471 8.188 8.000 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.064 7.226 8.406 1.00 0.00 H new ATOM 0 HG SER A 4 -5.500 9.392 7.798 1.00 0.00 H new ATOM 57 N GLY A 5 -7.597 4.524 7.206 1.00 0.00 N ATOM 58 CA GLY A 5 -8.514 3.513 7.696 1.00 0.00 C ATOM 59 C GLY A 5 -7.779 2.298 8.219 1.00 0.00 C ATOM 60 O GLY A 5 -6.590 2.125 7.953 1.00 0.00 O ATOM 0 H GLY A 5 -6.649 4.191 7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.131 3.935 8.490 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.188 3.213 6.894 1.00 0.00 H new ATOM 64 N ALA A 6 -8.478 1.452 8.968 1.00 0.00 N ATOM 65 CA ALA A 6 -7.861 0.258 9.523 1.00 0.00 C ATOM 66 C ALA A 6 -7.513 -0.742 8.432 1.00 0.00 C ATOM 67 O ALA A 6 -8.293 -0.971 7.507 1.00 0.00 O ATOM 68 CB ALA A 6 -8.762 -0.390 10.556 1.00 0.00 C ATOM 0 H ALA A 6 -9.464 1.571 9.202 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.937 0.567 10.012 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.276 -1.281 10.955 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.951 0.314 11.366 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.707 -0.670 10.090 1.00 0.00 H new ATOM 74 N ALA A 7 -6.335 -1.337 8.551 1.00 0.00 N ATOM 75 CA ALA A 7 -5.874 -2.319 7.579 1.00 0.00 C ATOM 76 C ALA A 7 -4.833 -3.262 8.178 1.00 0.00 C ATOM 77 O ALA A 7 -4.047 -2.867 9.039 1.00 0.00 O ATOM 78 CB ALA A 7 -5.301 -1.615 6.359 1.00 0.00 C ATOM 0 H ALA A 7 -5.680 -1.157 9.312 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.733 -2.920 7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.959 -2.357 5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.071 -0.993 5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.461 -0.989 6.661 1.00 0.00 H new ATOM 84 N ILE A 8 -4.830 -4.513 7.714 1.00 0.00 N ATOM 85 CA ILE A 8 -3.882 -5.507 8.201 1.00 0.00 C ATOM 86 C ILE A 8 -2.676 -5.620 7.284 1.00 0.00 C ATOM 87 O ILE A 8 -2.799 -5.547 6.061 1.00 0.00 O ATOM 88 CB ILE A 8 -4.523 -6.902 8.295 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.832 -6.843 9.062 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.575 -7.902 8.944 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.671 -8.072 8.842 1.00 0.00 C ATOM 0 H ILE A 8 -5.474 -4.858 7.002 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.573 -5.169 9.190 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.730 -7.240 7.279 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.624 -6.732 10.126 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.393 -5.961 8.753 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.056 -8.879 8.996 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.664 -7.978 8.350 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.325 -7.566 9.950 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.598 -7.986 9.410 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.903 -8.169 7.781 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.121 -8.952 9.175 1.00 0.00 H new ATOM 103 N PHE A 9 -1.517 -5.827 7.886 1.00 0.00 N ATOM 104 CA PHE A 9 -0.283 -5.986 7.136 1.00 0.00 C ATOM 105 C PHE A 9 0.617 -6.999 7.828 1.00 0.00 C ATOM 106 O PHE A 9 1.202 -6.715 8.872 1.00 0.00 O ATOM 107 CB PHE A 9 0.433 -4.644 6.985 1.00 0.00 C ATOM 108 CG PHE A 9 1.717 -4.737 6.215 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.733 -5.245 4.926 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.909 -4.317 6.780 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.915 -5.334 4.215 1.00 0.00 C ATOM 112 CE2 PHE A 9 4.095 -4.401 6.075 1.00 0.00 C ATOM 113 CZ PHE A 9 4.098 -4.910 4.790 1.00 0.00 C ATOM 0 H PHE A 9 -1.405 -5.889 8.898 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.524 -6.354 6.139 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.232 -3.940 6.484 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.640 -4.238 7.975 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.811 -5.575 4.471 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.912 -3.919 7.784 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.914 -5.734 3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.018 -4.069 6.528 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.023 -4.976 4.236 1.00 0.00 H new ATOM 123 N GLU A 10 0.712 -8.189 7.240 1.00 0.00 N ATOM 124 CA GLU A 10 1.527 -9.269 7.787 1.00 0.00 C ATOM 125 C GLU A 10 0.823 -9.957 8.957 1.00 0.00 C ATOM 126 O GLU A 10 1.415 -10.164 10.017 1.00 0.00 O ATOM 127 CB GLU A 10 2.895 -8.747 8.227 1.00 0.00 C ATOM 128 CG GLU A 10 3.602 -7.919 7.166 1.00 0.00 C ATOM 129 CD GLU A 10 4.998 -7.501 7.586 1.00 0.00 C ATOM 130 OE1 GLU A 10 5.331 -7.652 8.780 1.00 0.00 O ATOM 131 OE2 GLU A 10 5.758 -7.021 6.719 1.00 0.00 O ATOM 0 H GLU A 10 0.228 -8.431 6.375 1.00 0.00 H new ATOM 0 HA GLU A 10 1.672 -10.005 6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.772 -8.142 9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.527 -9.593 8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.662 -8.494 6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.010 -7.030 6.950 1.00 0.00 H new ATOM 138 N LYS A 11 -0.440 -10.334 8.747 1.00 0.00 N ATOM 139 CA LYS A 11 -1.221 -11.024 9.759 1.00 0.00 C ATOM 140 C LYS A 11 -1.430 -10.185 11.019 1.00 0.00 C ATOM 141 O LYS A 11 -1.885 -10.699 12.041 1.00 0.00 O ATOM 142 CB LYS A 11 -0.541 -12.339 10.097 1.00 0.00 C ATOM 143 CG LYS A 11 -0.895 -13.454 9.131 1.00 0.00 C ATOM 144 CD LYS A 11 0.103 -14.598 9.208 1.00 0.00 C ATOM 145 CE LYS A 11 1.489 -14.157 8.764 1.00 0.00 C ATOM 146 NZ LYS A 11 2.370 -15.319 8.461 1.00 0.00 N ATOM 0 H LYS A 11 -0.942 -10.168 7.875 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.214 -11.209 9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.539 -12.194 10.096 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.822 -12.638 11.107 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.895 -13.827 9.355 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.921 -13.061 8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.149 -14.974 10.230 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.237 -15.422 8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.403 -13.526 7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.945 -13.550 9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.305 -14.977 8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.473 -15.908 9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.948 -15.885 7.697 1.00 0.00 H new ATOM 160 N VAL A 12 -1.129 -8.892 10.941 1.00 0.00 N ATOM 161 CA VAL A 12 -1.322 -8.004 12.064 1.00 0.00 C ATOM 162 C VAL A 12 -2.213 -6.848 11.636 1.00 0.00 C ATOM 163 O VAL A 12 -2.077 -6.337 10.526 1.00 0.00 O ATOM 164 CB VAL A 12 0.015 -7.469 12.616 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.221 -6.494 13.760 1.00 0.00 C ATOM 166 CG2 VAL A 12 0.901 -8.622 13.064 1.00 0.00 C ATOM 0 H VAL A 12 -0.750 -8.443 10.107 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.797 -8.568 12.867 1.00 0.00 H new ATOM 0 HB VAL A 12 0.525 -6.931 11.817 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.737 -6.131 14.132 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.815 -5.652 13.404 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.755 -7.000 14.565 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.841 -8.229 13.451 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.394 -9.188 13.846 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.103 -9.276 12.216 1.00 0.00 H new ATOM 176 N SER A 13 -3.144 -6.461 12.493 1.00 0.00 N ATOM 177 CA SER A 13 -4.066 -5.384 12.161 1.00 0.00 C ATOM 178 C SER A 13 -3.675 -4.077 12.830 1.00 0.00 C ATOM 179 O SER A 13 -3.178 -4.057 13.956 1.00 0.00 O ATOM 180 CB SER A 13 -5.494 -5.767 12.555 1.00 0.00 C ATOM 181 OG SER A 13 -6.425 -4.798 12.103 1.00 0.00 O ATOM 0 H SER A 13 -3.282 -6.872 13.416 1.00 0.00 H new ATOM 0 HA SER A 13 -4.016 -5.233 11.083 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.743 -6.740 12.132 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.562 -5.864 13.639 1.00 0.00 H new ATOM 0 HG SER A 13 -7.330 -5.067 12.366 1.00 0.00 H new ATOM 187 N GLY A 14 -3.916 -2.989 12.116 1.00 0.00 N ATOM 188 CA GLY A 14 -3.603 -1.671 12.619 1.00 0.00 C ATOM 189 C GLY A 14 -4.269 -0.594 11.790 1.00 0.00 C ATOM 190 O GLY A 14 -4.974 -0.896 10.827 1.00 0.00 O ATOM 0 H GLY A 14 -4.329 -2.998 11.183 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.929 -1.588 13.656 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.523 -1.523 12.611 1.00 0.00 H new ATOM 194 N ILE A 15 -4.055 0.662 12.154 1.00 0.00 N ATOM 195 CA ILE A 15 -4.653 1.766 11.419 1.00 0.00 C ATOM 196 C ILE A 15 -3.728 2.255 10.313 1.00 0.00 C ATOM 197 O ILE A 15 -2.557 2.552 10.544 1.00 0.00 O ATOM 198 CB ILE A 15 -5.023 2.930 12.358 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.102 2.459 13.346 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.485 4.145 11.558 1.00 0.00 C ATOM 201 CD1 ILE A 15 -7.396 3.249 13.290 1.00 0.00 C ATOM 0 H ILE A 15 -3.477 0.940 12.947 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.569 1.392 10.962 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.143 3.236 12.923 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.323 1.410 13.150 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.700 2.516 14.358 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.741 4.955 12.241 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.684 4.470 10.895 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.361 3.879 10.966 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.099 2.848 14.020 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.194 4.295 13.518 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.826 3.172 12.292 1.00 0.00 H new ATOM 213 N ILE A 16 -4.276 2.326 9.107 1.00 0.00 N ATOM 214 CA ILE A 16 -3.530 2.766 7.945 1.00 0.00 C ATOM 215 C ILE A 16 -3.876 4.216 7.611 1.00 0.00 C ATOM 216 O ILE A 16 -5.018 4.529 7.278 1.00 0.00 O ATOM 217 CB ILE A 16 -3.834 1.842 6.734 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.675 0.866 6.515 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.112 2.648 5.467 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.773 0.066 5.231 1.00 0.00 C ATOM 0 H ILE A 16 -5.246 2.080 8.911 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.465 2.708 8.168 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.736 1.274 6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.739 1.425 6.512 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.631 0.176 7.358 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.320 1.968 4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.973 3.296 5.630 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.241 3.257 5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.915 -0.601 5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.690 -0.523 5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.785 0.746 4.379 1.00 0.00 H new ATOM 232 N ALA A 17 -2.887 5.096 7.709 1.00 0.00 N ATOM 233 CA ALA A 17 -3.094 6.509 7.424 1.00 0.00 C ATOM 234 C ALA A 17 -2.400 6.911 6.129 1.00 0.00 C ATOM 235 O ALA A 17 -1.311 6.428 5.820 1.00 0.00 O ATOM 236 CB ALA A 17 -2.592 7.361 8.579 1.00 0.00 C ATOM 0 H ALA A 17 -1.935 4.856 7.984 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.164 6.677 7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.754 8.415 8.351 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.135 7.099 9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.527 7.181 8.728 1.00 0.00 H new ATOM 242 N ILE A 18 -3.038 7.796 5.374 1.00 0.00 N ATOM 243 CA ILE A 18 -2.483 8.261 4.115 1.00 0.00 C ATOM 244 C ILE A 18 -1.899 9.664 4.270 1.00 0.00 C ATOM 245 O ILE A 18 -2.626 10.629 4.507 1.00 0.00 O ATOM 246 CB ILE A 18 -3.559 8.246 3.003 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.452 6.959 2.185 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.446 9.465 2.099 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.688 6.660 1.366 1.00 0.00 C ATOM 0 H ILE A 18 -3.941 8.205 5.614 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.681 7.582 3.827 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.538 8.282 3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.593 7.032 1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.262 6.124 2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.217 9.421 1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.576 10.371 2.691 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.464 9.478 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.542 5.733 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.547 6.555 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.867 7.477 0.667 1.00 0.00 H new ATOM 261 N ASN A 19 -0.581 9.768 4.135 1.00 0.00 N ATOM 262 CA ASN A 19 0.099 11.050 4.260 1.00 0.00 C ATOM 263 C ASN A 19 0.495 11.591 2.892 1.00 0.00 C ATOM 264 O ASN A 19 1.396 11.063 2.240 1.00 0.00 O ATOM 265 CB ASN A 19 1.340 10.909 5.145 1.00 0.00 C ATOM 266 CG ASN A 19 0.997 10.879 6.621 1.00 0.00 C ATOM 267 OD1 ASN A 19 1.422 11.743 7.388 1.00 0.00 O ATOM 268 ND2 ASN A 19 0.222 9.879 7.029 1.00 0.00 N ATOM 0 H ASN A 19 0.036 8.980 3.939 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.591 11.755 4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.870 9.994 4.879 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.019 11.739 4.949 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.042 9.807 8.012 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.108 9.184 6.360 1.00 0.00 H new ATOM 275 N GLU A 20 -0.179 12.653 2.469 1.00 0.00 N ATOM 276 CA GLU A 20 0.104 13.277 1.182 1.00 0.00 C ATOM 277 C GLU A 20 0.769 14.638 1.371 1.00 0.00 C ATOM 278 O GLU A 20 1.174 15.281 0.402 1.00 0.00 O ATOM 279 CB GLU A 20 -1.185 13.434 0.374 1.00 0.00 C ATOM 280 CG GLU A 20 -1.866 12.112 0.053 1.00 0.00 C ATOM 281 CD GLU A 20 -3.110 12.288 -0.796 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.586 13.435 -0.925 1.00 0.00 O ATOM 283 OE2 GLU A 20 -3.609 11.276 -1.333 1.00 0.00 O ATOM 0 H GLU A 20 -0.927 13.101 2.999 1.00 0.00 H new ATOM 0 HA GLU A 20 0.791 12.630 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.878 14.065 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.959 13.953 -0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.163 11.463 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.133 11.610 0.983 1.00 0.00 H new ATOM 290 N ASP A 21 0.878 15.076 2.625 1.00 0.00 N ATOM 291 CA ASP A 21 1.492 16.358 2.937 1.00 0.00 C ATOM 292 C ASP A 21 2.956 16.389 2.516 1.00 0.00 C ATOM 293 O ASP A 21 3.540 17.460 2.355 1.00 0.00 O ATOM 294 CB ASP A 21 1.374 16.650 4.433 1.00 0.00 C ATOM 295 CG ASP A 21 -0.063 16.854 4.874 1.00 0.00 C ATOM 296 OD1 ASP A 21 -0.926 17.075 4.000 1.00 0.00 O ATOM 297 OD2 ASP A 21 -0.323 16.790 6.094 1.00 0.00 O ATOM 0 H ASP A 21 0.547 14.558 3.439 1.00 0.00 H new ATOM 0 HA ASP A 21 0.961 17.128 2.376 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.810 15.825 4.996 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.954 17.541 4.673 1.00 0.00 H new ATOM 302 N VAL A 22 3.546 15.212 2.338 1.00 0.00 N ATOM 303 CA VAL A 22 4.937 15.121 1.938 1.00 0.00 C ATOM 304 C VAL A 22 5.054 14.959 0.425 1.00 0.00 C ATOM 305 O VAL A 22 4.112 15.245 -0.315 1.00 0.00 O ATOM 306 CB VAL A 22 5.659 13.962 2.669 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.510 12.645 1.919 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.126 14.299 2.898 1.00 0.00 C ATOM 0 H VAL A 22 3.081 14.313 2.465 1.00 0.00 H new ATOM 0 HA VAL A 22 5.427 16.052 2.224 1.00 0.00 H new ATOM 0 HB VAL A 22 5.182 13.837 3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.030 11.856 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.453 12.392 1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.940 12.743 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.613 13.471 3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.615 14.468 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.202 15.200 3.507 1.00 0.00 H new ATOM 318 N SER A 23 6.211 14.501 -0.028 1.00 0.00 N ATOM 319 CA SER A 23 6.447 14.304 -1.451 1.00 0.00 C ATOM 320 C SER A 23 7.711 13.475 -1.683 1.00 0.00 C ATOM 321 O SER A 23 8.817 13.930 -1.391 1.00 0.00 O ATOM 322 CB SER A 23 6.569 15.652 -2.161 1.00 0.00 C ATOM 323 OG SER A 23 7.014 16.661 -1.270 1.00 0.00 O ATOM 0 H SER A 23 7.002 14.259 0.569 1.00 0.00 H new ATOM 0 HA SER A 23 5.597 13.761 -1.864 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.266 15.566 -2.994 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.603 15.934 -2.581 1.00 0.00 H new ATOM 0 HG SER A 23 7.085 17.513 -1.749 1.00 0.00 H new ATOM 329 N PRO A 24 7.568 12.245 -2.212 1.00 0.00 N ATOM 330 CA PRO A 24 6.273 11.659 -2.576 1.00 0.00 C ATOM 331 C PRO A 24 5.450 11.266 -1.352 1.00 0.00 C ATOM 332 O PRO A 24 6.000 10.943 -0.299 1.00 0.00 O ATOM 333 CB PRO A 24 6.647 10.407 -3.388 1.00 0.00 C ATOM 334 CG PRO A 24 8.120 10.501 -3.626 1.00 0.00 C ATOM 335 CD PRO A 24 8.671 11.323 -2.499 1.00 0.00 C ATOM 0 HA PRO A 24 5.654 12.368 -3.127 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.396 9.498 -2.842 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.100 10.374 -4.330 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.576 9.511 -3.646 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.330 10.968 -4.588 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.923 10.709 -1.634 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.578 11.853 -2.789 1.00 0.00 H new ATOM 343 N ALA A 25 4.127 11.287 -1.499 1.00 0.00 N ATOM 344 CA ALA A 25 3.226 10.924 -0.408 1.00 0.00 C ATOM 345 C ALA A 25 3.570 9.539 0.137 1.00 0.00 C ATOM 346 O ALA A 25 4.373 8.816 -0.454 1.00 0.00 O ATOM 347 CB ALA A 25 1.782 10.959 -0.886 1.00 0.00 C ATOM 0 H ALA A 25 3.655 11.552 -2.364 1.00 0.00 H new ATOM 0 HA ALA A 25 3.348 11.649 0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.120 10.687 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.537 11.963 -1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.653 10.252 -1.705 1.00 0.00 H new ATOM 353 N GLU A 26 2.966 9.173 1.263 1.00 0.00 N ATOM 354 CA GLU A 26 3.224 7.872 1.873 1.00 0.00 C ATOM 355 C GLU A 26 2.045 7.415 2.727 1.00 0.00 C ATOM 356 O GLU A 26 1.292 8.233 3.253 1.00 0.00 O ATOM 357 CB GLU A 26 4.492 7.930 2.726 1.00 0.00 C ATOM 358 CG GLU A 26 5.742 8.287 1.937 1.00 0.00 C ATOM 359 CD GLU A 26 6.999 8.252 2.785 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.876 8.185 4.026 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.105 8.291 2.206 1.00 0.00 O ATOM 0 H GLU A 26 2.298 9.754 1.770 1.00 0.00 H new ATOM 0 HA GLU A 26 3.362 7.149 1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.352 8.663 3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.640 6.963 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.851 7.593 1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.625 9.283 1.509 1.00 0.00 H new ATOM 368 N LEU A 27 1.898 6.100 2.864 1.00 0.00 N ATOM 369 CA LEU A 27 0.818 5.525 3.660 1.00 0.00 C ATOM 370 C LEU A 27 1.373 4.857 4.915 1.00 0.00 C ATOM 371 O LEU A 27 2.107 3.873 4.834 1.00 0.00 O ATOM 372 CB LEU A 27 0.032 4.510 2.828 1.00 0.00 C ATOM 373 CG LEU A 27 -1.233 3.969 3.493 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.219 3.476 2.444 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.885 2.853 4.465 1.00 0.00 C ATOM 0 H LEU A 27 2.515 5.411 2.433 1.00 0.00 H new ATOM 0 HA LEU A 27 0.148 6.329 3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.244 4.975 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.687 3.671 2.592 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.703 4.779 4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.114 3.094 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.491 4.300 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.759 2.680 1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.797 2.478 4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.393 2.043 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.216 3.237 5.235 1.00 0.00 H new ATOM 387 N THR A 28 1.033 5.412 6.075 1.00 0.00 N ATOM 388 CA THR A 28 1.497 4.905 7.340 1.00 0.00 C ATOM 389 C THR A 28 0.580 3.809 7.882 1.00 0.00 C ATOM 390 O THR A 28 -0.632 3.838 7.675 1.00 0.00 O ATOM 391 CB THR A 28 1.554 6.067 8.319 1.00 0.00 C ATOM 392 OG1 THR A 28 1.439 7.305 7.639 1.00 0.00 O ATOM 393 CG2 THR A 28 2.827 6.106 9.113 1.00 0.00 C ATOM 0 H THR A 28 0.426 6.228 6.152 1.00 0.00 H new ATOM 0 HA THR A 28 2.483 4.460 7.206 1.00 0.00 H new ATOM 0 HB THR A 28 0.718 5.912 9.001 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.476 8.039 8.287 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.806 6.958 9.793 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.926 5.185 9.688 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.675 6.203 8.436 1.00 0.00 H new ATOM 401 N TRP A 29 1.174 2.854 8.589 1.00 0.00 N ATOM 402 CA TRP A 29 0.432 1.755 9.180 1.00 0.00 C ATOM 403 C TRP A 29 0.823 1.573 10.638 1.00 0.00 C ATOM 404 O TRP A 29 1.931 1.129 10.943 1.00 0.00 O ATOM 405 CB TRP A 29 0.693 0.450 8.429 1.00 0.00 C ATOM 406 CG TRP A 29 -0.064 -0.704 9.008 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.404 -0.749 9.243 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.465 -1.963 9.443 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.750 -1.969 9.779 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.618 -2.727 9.911 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.746 -2.524 9.477 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.464 -4.016 10.403 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.897 -3.809 9.969 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.794 -4.543 10.426 1.00 0.00 C ATOM 0 H TRP A 29 2.178 2.823 8.766 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.628 2.000 9.112 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.415 0.575 7.382 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.760 0.229 8.451 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.095 0.055 9.039 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.693 -2.260 10.035 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.601 -1.965 9.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.313 -4.583 10.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.881 -4.253 10.001 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.943 -5.544 10.803 1.00 0.00 H new ATOM 425 N ARG A 30 -0.090 1.901 11.537 1.00 0.00 N ATOM 426 CA ARG A 30 0.170 1.750 12.962 1.00 0.00 C ATOM 427 C ARG A 30 -0.565 0.526 13.495 1.00 0.00 C ATOM 428 O ARG A 30 -1.767 0.379 13.286 1.00 0.00 O ATOM 429 CB ARG A 30 -0.269 3.005 13.721 1.00 0.00 C ATOM 430 CG ARG A 30 0.717 3.447 14.787 1.00 0.00 C ATOM 431 CD ARG A 30 0.228 4.687 15.519 1.00 0.00 C ATOM 432 NE ARG A 30 1.286 5.309 16.311 1.00 0.00 N ATOM 433 CZ ARG A 30 1.246 6.567 16.745 1.00 0.00 C ATOM 434 NH1 ARG A 30 0.201 7.339 16.468 1.00 0.00 N ATOM 435 NH2 ARG A 30 2.251 7.056 17.458 1.00 0.00 N ATOM 0 H ARG A 30 -1.013 2.271 11.309 1.00 0.00 H new ATOM 0 HA ARG A 30 1.241 1.614 13.112 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.411 3.819 13.010 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.236 2.817 14.188 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.869 2.638 15.501 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.684 3.652 14.327 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.154 5.407 14.796 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.603 4.419 16.171 1.00 0.00 H new ATOM 0 HE ARG A 30 2.104 4.746 16.545 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.576 6.969 15.920 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.175 8.302 16.803 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.056 6.468 17.675 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.219 8.020 17.790 1.00 0.00 H new ATOM 449 N SER A 31 0.158 -0.358 14.178 1.00 0.00 N ATOM 450 CA SER A 31 -0.444 -1.565 14.719 1.00 0.00 C ATOM 451 C SER A 31 -1.513 -1.221 15.743 1.00 0.00 C ATOM 452 O SER A 31 -1.531 -0.120 16.295 1.00 0.00 O ATOM 453 CB SER A 31 0.625 -2.458 15.349 1.00 0.00 C ATOM 454 OG SER A 31 1.298 -1.787 16.400 1.00 0.00 O ATOM 0 H SER A 31 1.155 -0.259 14.367 1.00 0.00 H new ATOM 0 HA SER A 31 -0.915 -2.108 13.900 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.163 -3.368 15.732 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.344 -2.761 14.588 1.00 0.00 H new ATOM 0 HG SER A 31 1.859 -2.425 16.889 1.00 0.00 H new ATOM 460 N THR A 32 -2.395 -2.174 16.000 1.00 0.00 N ATOM 461 CA THR A 32 -3.460 -1.996 16.959 1.00 0.00 C ATOM 462 C THR A 32 -2.880 -1.733 18.341 1.00 0.00 C ATOM 463 O THR A 32 -3.462 -1.018 19.155 1.00 0.00 O ATOM 464 CB THR A 32 -4.315 -3.258 16.964 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.368 -3.161 16.024 1.00 0.00 O ATOM 466 CG2 THR A 32 -4.919 -3.581 18.303 1.00 0.00 C ATOM 0 H THR A 32 -2.388 -3.088 15.548 1.00 0.00 H new ATOM 0 HA THR A 32 -4.075 -1.138 16.686 1.00 0.00 H new ATOM 0 HB THR A 32 -3.626 -4.061 16.702 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.034 -3.395 15.133 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.512 -4.492 18.224 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.125 -3.728 19.035 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.558 -2.758 18.622 1.00 0.00 H new ATOM 474 N ASP A 33 -1.725 -2.330 18.583 1.00 0.00 N ATOM 475 CA ASP A 33 -1.038 -2.185 19.859 1.00 0.00 C ATOM 476 C ASP A 33 -0.458 -0.787 20.013 1.00 0.00 C ATOM 477 O ASP A 33 -0.373 -0.252 21.119 1.00 0.00 O ATOM 478 CB ASP A 33 0.072 -3.229 19.987 1.00 0.00 C ATOM 479 CG ASP A 33 -0.466 -4.646 20.030 1.00 0.00 C ATOM 480 OD1 ASP A 33 -1.677 -4.812 20.286 1.00 0.00 O ATOM 481 OD2 ASP A 33 0.324 -5.588 19.806 1.00 0.00 O ATOM 0 H ASP A 33 -1.240 -2.923 17.910 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.768 -2.342 20.653 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.758 -3.130 19.146 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.647 -3.034 20.892 1.00 0.00 H new ATOM 486 N GLY A 34 -0.056 -0.204 18.894 1.00 0.00 N ATOM 487 CA GLY A 34 0.521 1.125 18.912 1.00 0.00 C ATOM 488 C GLY A 34 1.998 1.099 19.235 1.00 0.00 C ATOM 489 O GLY A 34 2.554 2.082 19.725 1.00 0.00 O ATOM 0 H GLY A 34 -0.119 -0.629 17.969 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.371 1.598 17.942 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.000 1.736 19.649 1.00 0.00 H new ATOM 493 N ASP A 35 2.634 -0.033 18.961 1.00 0.00 N ATOM 494 CA ASP A 35 4.057 -0.195 19.223 1.00 0.00 C ATOM 495 C ASP A 35 4.845 -0.355 17.926 1.00 0.00 C ATOM 496 O ASP A 35 6.055 -0.137 17.895 1.00 0.00 O ATOM 497 CB ASP A 35 4.295 -1.403 20.131 1.00 0.00 C ATOM 498 CG ASP A 35 5.745 -1.534 20.554 1.00 0.00 C ATOM 499 OD1 ASP A 35 6.504 -0.557 20.382 1.00 0.00 O ATOM 500 OD2 ASP A 35 6.122 -2.612 21.059 1.00 0.00 O ATOM 0 H ASP A 35 2.185 -0.854 18.556 1.00 0.00 H new ATOM 0 HA ASP A 35 4.408 0.706 19.725 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.667 -1.316 21.018 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.988 -2.310 19.611 1.00 0.00 H new ATOM 505 N LYS A 36 4.152 -0.735 16.857 1.00 0.00 N ATOM 506 CA LYS A 36 4.791 -0.920 15.560 1.00 0.00 C ATOM 507 C LYS A 36 4.155 -0.016 14.511 1.00 0.00 C ATOM 508 O LYS A 36 2.938 -0.028 14.323 1.00 0.00 O ATOM 509 CB LYS A 36 4.693 -2.384 15.122 1.00 0.00 C ATOM 510 CG LYS A 36 6.003 -3.142 15.246 1.00 0.00 C ATOM 511 CD LYS A 36 6.055 -3.962 16.525 1.00 0.00 C ATOM 512 CE LYS A 36 5.559 -5.382 16.297 1.00 0.00 C ATOM 513 NZ LYS A 36 6.338 -6.375 17.088 1.00 0.00 N ATOM 0 H LYS A 36 3.149 -0.920 16.864 1.00 0.00 H new ATOM 0 HA LYS A 36 5.843 -0.650 15.657 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.934 -2.885 15.723 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.356 -2.423 14.086 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.126 -3.800 14.386 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.835 -2.438 15.230 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.078 -3.989 16.900 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.447 -3.482 17.291 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.506 -5.447 16.569 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.630 -5.626 15.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.970 -7.330 16.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.339 -6.331 16.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.250 -6.158 18.101 1.00 0.00 H new ATOM 527 N VAL A 37 4.984 0.768 13.834 1.00 0.00 N ATOM 528 CA VAL A 37 4.501 1.679 12.805 1.00 0.00 C ATOM 529 C VAL A 37 5.244 1.468 11.491 1.00 0.00 C ATOM 530 O VAL A 37 6.460 1.637 11.419 1.00 0.00 O ATOM 531 CB VAL A 37 4.657 3.148 13.239 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.966 4.076 12.250 1.00 0.00 C ATOM 533 CG2 VAL A 37 4.107 3.350 14.642 1.00 0.00 C ATOM 0 H VAL A 37 5.993 0.791 13.979 1.00 0.00 H new ATOM 0 HA VAL A 37 3.443 1.460 12.660 1.00 0.00 H new ATOM 0 HB VAL A 37 5.719 3.393 13.249 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.088 5.109 12.575 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.410 3.951 11.262 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.904 3.833 12.204 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.226 4.394 14.932 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.050 3.086 14.660 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.651 2.715 15.341 1.00 0.00 H new ATOM 543 N HIS A 38 4.500 1.101 10.453 1.00 0.00 N ATOM 544 CA HIS A 38 5.088 0.867 9.137 1.00 0.00 C ATOM 545 C HIS A 38 4.696 1.961 8.159 1.00 0.00 C ATOM 546 O HIS A 38 3.573 2.454 8.173 1.00 0.00 O ATOM 547 CB HIS A 38 4.667 -0.486 8.576 1.00 0.00 C ATOM 548 CG HIS A 38 5.279 -0.803 7.247 1.00 0.00 C ATOM 549 ND1 HIS A 38 6.144 -1.859 7.046 1.00 0.00 N ATOM 550 CD2 HIS A 38 5.143 -0.197 6.042 1.00 0.00 C ATOM 551 CE1 HIS A 38 6.514 -1.888 5.777 1.00 0.00 C ATOM 552 NE2 HIS A 38 5.920 -0.892 5.148 1.00 0.00 N ATOM 0 H HIS A 38 3.491 0.959 10.496 1.00 0.00 H new ATOM 0 HA HIS A 38 6.170 0.875 9.265 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.941 -1.265 9.287 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.581 -0.508 8.481 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.537 0.670 5.826 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.188 -2.605 5.331 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.022 -0.673 4.157 1.00 0.00 H new ATOM 561 N THR A 39 5.636 2.330 7.311 1.00 0.00 N ATOM 562 CA THR A 39 5.404 3.366 6.312 1.00 0.00 C ATOM 563 C THR A 39 5.476 2.785 4.904 1.00 0.00 C ATOM 564 O THR A 39 6.418 2.068 4.565 1.00 0.00 O ATOM 565 CB THR A 39 6.423 4.495 6.466 1.00 0.00 C ATOM 566 OG1 THR A 39 6.556 4.868 7.826 1.00 0.00 O ATOM 567 CG2 THR A 39 6.062 5.738 5.682 1.00 0.00 C ATOM 0 H THR A 39 6.573 1.928 7.291 1.00 0.00 H new ATOM 0 HA THR A 39 4.404 3.770 6.469 1.00 0.00 H new ATOM 0 HB THR A 39 7.358 4.096 6.073 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.214 5.590 7.904 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.826 6.500 5.835 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.000 5.494 4.621 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.099 6.117 6.024 1.00 0.00 H new ATOM 575 N VAL A 40 4.472 3.092 4.091 1.00 0.00 N ATOM 576 CA VAL A 40 4.417 2.596 2.721 1.00 0.00 C ATOM 577 C VAL A 40 4.535 3.733 1.714 1.00 0.00 C ATOM 578 O VAL A 40 3.982 4.815 1.916 1.00 0.00 O ATOM 579 CB VAL A 40 3.105 1.831 2.457 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.131 1.174 1.087 1.00 0.00 C ATOM 581 CG2 VAL A 40 2.861 0.798 3.547 1.00 0.00 C ATOM 0 H VAL A 40 3.684 3.683 4.357 1.00 0.00 H new ATOM 0 HA VAL A 40 5.262 1.918 2.598 1.00 0.00 H new ATOM 0 HB VAL A 40 2.282 2.546 2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.195 0.640 0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.253 1.938 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.963 0.472 1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.931 0.268 3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.687 0.087 3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.790 1.298 4.513 1.00 0.00 H new ATOM 591 N VAL A 41 5.250 3.479 0.625 1.00 0.00 N ATOM 592 CA VAL A 41 5.433 4.480 -0.419 1.00 0.00 C ATOM 593 C VAL A 41 4.365 4.334 -1.497 1.00 0.00 C ATOM 594 O VAL A 41 4.215 3.269 -2.096 1.00 0.00 O ATOM 595 CB VAL A 41 6.826 4.371 -1.069 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.083 5.559 -1.985 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.907 4.266 -0.003 1.00 0.00 C ATOM 0 H VAL A 41 5.713 2.589 0.442 1.00 0.00 H new ATOM 0 HA VAL A 41 5.344 5.458 0.054 1.00 0.00 H new ATOM 0 HB VAL A 41 6.855 3.464 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.071 5.464 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.328 5.583 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.034 6.482 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.883 4.190 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.881 5.153 0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.732 3.380 0.607 1.00 0.00 H new ATOM 607 N LEU A 42 3.619 5.407 -1.732 1.00 0.00 N ATOM 608 CA LEU A 42 2.555 5.395 -2.731 1.00 0.00 C ATOM 609 C LEU A 42 3.080 5.773 -4.117 1.00 0.00 C ATOM 610 O LEU A 42 2.381 5.607 -5.116 1.00 0.00 O ATOM 611 CB LEU A 42 1.437 6.352 -2.316 1.00 0.00 C ATOM 612 CG LEU A 42 0.941 6.182 -0.878 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.256 7.085 -0.616 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.588 4.727 -0.601 1.00 0.00 C ATOM 0 H LEU A 42 3.730 6.296 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 42 2.162 4.380 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.789 7.376 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.594 6.218 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 42 1.744 6.473 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.595 6.951 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.032 8.125 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.063 6.827 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.238 4.627 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.198 4.407 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.471 4.105 -0.745 1.00 0.00 H new ATOM 626 N SER A 43 4.310 6.277 -4.176 1.00 0.00 N ATOM 627 CA SER A 43 4.910 6.672 -5.444 1.00 0.00 C ATOM 628 C SER A 43 5.455 5.457 -6.187 1.00 0.00 C ATOM 629 O SER A 43 5.512 5.443 -7.416 1.00 0.00 O ATOM 630 CB SER A 43 6.033 7.683 -5.209 1.00 0.00 C ATOM 631 OG SER A 43 7.170 7.060 -4.639 1.00 0.00 O ATOM 0 H SER A 43 4.908 6.421 -3.362 1.00 0.00 H new ATOM 0 HA SER A 43 4.135 7.135 -6.055 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.307 8.152 -6.154 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.680 8.476 -4.550 1.00 0.00 H new ATOM 0 HG SER A 43 7.924 7.685 -4.647 1.00 0.00 H new ATOM 637 N THR A 44 5.854 4.439 -5.432 1.00 0.00 N ATOM 638 CA THR A 44 6.394 3.221 -6.022 1.00 0.00 C ATOM 639 C THR A 44 5.277 2.296 -6.492 1.00 0.00 C ATOM 640 O THR A 44 5.487 1.438 -7.348 1.00 0.00 O ATOM 641 CB THR A 44 7.289 2.494 -5.017 1.00 0.00 C ATOM 642 OG1 THR A 44 7.905 1.369 -5.617 1.00 0.00 O ATOM 643 CG2 THR A 44 6.543 2.010 -3.792 1.00 0.00 C ATOM 0 H THR A 44 5.814 4.434 -4.413 1.00 0.00 H new ATOM 0 HA THR A 44 6.990 3.504 -6.889 1.00 0.00 H new ATOM 0 HB THR A 44 8.030 3.230 -4.704 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.474 0.918 -4.959 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.236 1.503 -3.120 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.097 2.861 -3.278 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.758 1.316 -4.094 1.00 0.00 H new ATOM 651 N ILE A 45 4.088 2.477 -5.928 1.00 0.00 N ATOM 652 CA ILE A 45 2.937 1.659 -6.289 1.00 0.00 C ATOM 653 C ILE A 45 2.573 1.842 -7.757 1.00 0.00 C ATOM 654 O ILE A 45 1.832 2.757 -8.116 1.00 0.00 O ATOM 655 CB ILE A 45 1.711 1.999 -5.419 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.088 1.982 -3.936 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.577 1.022 -5.693 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.731 0.686 -3.489 1.00 0.00 C ATOM 0 H ILE A 45 3.896 3.184 -5.218 1.00 0.00 H new ATOM 0 HA ILE A 45 3.219 0.621 -6.115 1.00 0.00 H new ATOM 0 HB ILE A 45 1.371 3.002 -5.677 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.772 2.806 -3.734 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.193 2.158 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.281 1.276 -5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.293 1.080 -6.744 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.906 0.009 -5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.971 0.746 -2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.040 -0.140 -3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.645 0.518 -4.059 1.00 0.00 H new ATOM 670 N ASP A 46 3.099 0.962 -8.600 1.00 0.00 N ATOM 671 CA ASP A 46 2.831 1.019 -10.031 1.00 0.00 C ATOM 672 C ASP A 46 1.343 0.848 -10.316 1.00 0.00 C ATOM 673 O ASP A 46 0.828 1.375 -11.302 1.00 0.00 O ATOM 674 CB ASP A 46 3.629 -0.060 -10.764 1.00 0.00 C ATOM 675 CG ASP A 46 3.588 0.110 -12.271 1.00 0.00 C ATOM 676 OD1 ASP A 46 3.183 1.198 -12.735 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.959 -0.842 -12.987 1.00 0.00 O ATOM 0 H ASP A 46 3.714 0.200 -8.317 1.00 0.00 H new ATOM 0 HA ASP A 46 3.140 2.000 -10.393 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.665 -0.033 -10.427 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.234 -1.041 -10.501 1.00 0.00 H new ATOM 682 N LYS A 47 0.655 0.109 -9.449 1.00 0.00 N ATOM 683 CA LYS A 47 -0.773 -0.128 -9.619 1.00 0.00 C ATOM 684 C LYS A 47 -1.428 -0.503 -8.295 1.00 0.00 C ATOM 685 O LYS A 47 -0.747 -0.763 -7.303 1.00 0.00 O ATOM 686 CB LYS A 47 -1.009 -1.236 -10.647 1.00 0.00 C ATOM 687 CG LYS A 47 -0.520 -0.885 -12.044 1.00 0.00 C ATOM 688 CD LYS A 47 -0.994 -1.901 -13.071 1.00 0.00 C ATOM 689 CE LYS A 47 -0.339 -3.255 -12.860 1.00 0.00 C ATOM 690 NZ LYS A 47 -1.288 -4.376 -13.109 1.00 0.00 N ATOM 0 H LYS A 47 1.063 -0.334 -8.625 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.226 0.796 -9.978 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.506 -2.143 -10.313 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.075 -1.459 -10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.880 0.107 -12.318 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.569 -0.841 -12.049 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.077 -2.006 -13.007 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.768 -1.539 -14.074 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.519 -3.351 -13.526 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.040 -3.320 -11.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.803 -5.283 -12.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.094 -4.299 -12.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.630 -4.330 -14.090 1.00 0.00 H new ATOM 704 N LEU A 48 -2.756 -0.533 -8.290 1.00 0.00 N ATOM 705 CA LEU A 48 -3.512 -0.879 -7.093 1.00 0.00 C ATOM 706 C LEU A 48 -4.514 -1.993 -7.390 1.00 0.00 C ATOM 707 O LEU A 48 -5.299 -1.898 -8.334 1.00 0.00 O ATOM 708 CB LEU A 48 -4.243 0.353 -6.552 1.00 0.00 C ATOM 709 CG LEU A 48 -3.699 0.899 -5.230 1.00 0.00 C ATOM 710 CD1 LEU A 48 -2.731 2.044 -5.482 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.838 1.351 -4.329 1.00 0.00 C ATOM 0 H LEU A 48 -3.332 -0.321 -9.104 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.811 -1.235 -6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.195 1.143 -7.301 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.296 0.103 -6.419 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.159 0.098 -4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.355 2.419 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.897 1.689 -6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.246 2.846 -6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.431 1.736 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.407 2.136 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.493 0.506 -4.119 1.00 0.00 H new ATOM 723 N GLN A 49 -4.481 -3.044 -6.580 1.00 0.00 N ATOM 724 CA GLN A 49 -5.388 -4.174 -6.758 1.00 0.00 C ATOM 725 C GLN A 49 -6.158 -4.461 -5.474 1.00 0.00 C ATOM 726 O GLN A 49 -5.684 -4.174 -4.375 1.00 0.00 O ATOM 727 CB GLN A 49 -4.609 -5.418 -7.188 1.00 0.00 C ATOM 728 CG GLN A 49 -4.018 -5.314 -8.584 1.00 0.00 C ATOM 729 CD GLN A 49 -3.288 -6.576 -9.004 1.00 0.00 C ATOM 730 OE1 GLN A 49 -2.974 -7.430 -8.175 1.00 0.00 O ATOM 731 NE2 GLN A 49 -3.016 -6.698 -10.298 1.00 0.00 N ATOM 0 H GLN A 49 -3.838 -3.139 -5.794 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.103 -3.914 -7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.805 -5.597 -6.475 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.271 -6.283 -7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.815 -5.105 -9.297 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.329 -4.471 -8.621 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.296 -5.964 -10.949 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.528 -7.525 -10.641 1.00 0.00 H new ATOM 740 N ALA A 50 -7.350 -5.029 -5.619 1.00 0.00 N ATOM 741 CA ALA A 50 -8.187 -5.354 -4.472 1.00 0.00 C ATOM 742 C ALA A 50 -8.908 -6.683 -4.675 1.00 0.00 C ATOM 743 O ALA A 50 -8.983 -7.194 -5.793 1.00 0.00 O ATOM 744 CB ALA A 50 -9.193 -4.241 -4.220 1.00 0.00 C ATOM 0 H ALA A 50 -7.758 -5.274 -6.521 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.541 -5.451 -3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.812 -4.498 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.663 -3.310 -4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.826 -4.117 -5.098 1.00 0.00 H new ATOM 750 N THR A 51 -9.438 -7.235 -3.589 1.00 0.00 N ATOM 751 CA THR A 51 -10.153 -8.504 -3.649 1.00 0.00 C ATOM 752 C THR A 51 -11.492 -8.341 -4.366 1.00 0.00 C ATOM 753 O THR A 51 -12.085 -7.263 -4.351 1.00 0.00 O ATOM 754 CB THR A 51 -10.382 -9.053 -2.240 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.572 -7.997 -1.315 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.236 -9.904 -1.736 1.00 0.00 C ATOM 0 H THR A 51 -9.386 -6.824 -2.657 1.00 0.00 H new ATOM 0 HA THR A 51 -9.542 -9.209 -4.212 1.00 0.00 H new ATOM 0 HB THR A 51 -11.272 -9.678 -2.314 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.506 -7.987 -1.018 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.463 -10.262 -0.732 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.095 -10.756 -2.401 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.324 -9.308 -1.712 1.00 0.00 H new ATOM 764 N PRO A 52 -11.985 -9.414 -5.008 1.00 0.00 N ATOM 765 CA PRO A 52 -13.260 -9.384 -5.734 1.00 0.00 C ATOM 766 C PRO A 52 -14.456 -9.222 -4.802 1.00 0.00 C ATOM 767 O PRO A 52 -14.388 -9.570 -3.623 1.00 0.00 O ATOM 768 CB PRO A 52 -13.306 -10.745 -6.433 1.00 0.00 C ATOM 769 CG PRO A 52 -12.429 -11.626 -5.611 1.00 0.00 C ATOM 770 CD PRO A 52 -11.341 -10.739 -5.075 1.00 0.00 C ATOM 0 HA PRO A 52 -13.317 -8.537 -6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.324 -11.132 -6.478 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.946 -10.675 -7.459 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.991 -12.089 -4.800 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.013 -12.434 -6.213 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.999 -11.070 -4.094 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.470 -10.730 -5.730 1.00 0.00 H new ATOM 778 N ALA A 53 -15.551 -8.693 -5.339 1.00 0.00 N ATOM 779 CA ALA A 53 -16.764 -8.486 -4.558 1.00 0.00 C ATOM 780 C ALA A 53 -17.416 -9.812 -4.174 1.00 0.00 C ATOM 781 O ALA A 53 -18.308 -9.852 -3.326 1.00 0.00 O ATOM 782 CB ALA A 53 -17.745 -7.618 -5.330 1.00 0.00 C ATOM 0 H ALA A 53 -15.622 -8.400 -6.313 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.485 -7.975 -3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.647 -7.471 -4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.288 -6.651 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.005 -8.109 -6.268 1.00 0.00 H new ATOM 788 N SER A 54 -16.969 -10.899 -4.799 1.00 0.00 N ATOM 789 CA SER A 54 -17.516 -12.222 -4.516 1.00 0.00 C ATOM 790 C SER A 54 -16.750 -12.909 -3.385 1.00 0.00 C ATOM 791 O SER A 54 -17.068 -14.036 -3.007 1.00 0.00 O ATOM 792 CB SER A 54 -17.466 -13.091 -5.773 1.00 0.00 C ATOM 793 OG SER A 54 -18.338 -12.591 -6.774 1.00 0.00 O ATOM 0 H SER A 54 -16.231 -10.889 -5.503 1.00 0.00 H new ATOM 0 HA SER A 54 -18.552 -12.095 -4.201 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.446 -13.122 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.744 -14.115 -5.522 1.00 0.00 H new ATOM 0 HG SER A 54 -18.287 -13.163 -7.568 1.00 0.00 H new ATOM 799 N SER A 55 -15.747 -12.222 -2.845 1.00 0.00 N ATOM 800 CA SER A 55 -14.945 -12.767 -1.759 1.00 0.00 C ATOM 801 C SER A 55 -15.279 -12.075 -0.447 1.00 0.00 C ATOM 802 O SER A 55 -15.022 -10.883 -0.277 1.00 0.00 O ATOM 803 CB SER A 55 -13.455 -12.610 -2.067 1.00 0.00 C ATOM 804 OG SER A 55 -13.047 -13.510 -3.083 1.00 0.00 O ATOM 0 H SER A 55 -15.472 -11.286 -3.144 1.00 0.00 H new ATOM 0 HA SER A 55 -15.177 -13.828 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.251 -11.586 -2.380 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.873 -12.789 -1.163 1.00 0.00 H new ATOM 0 HG SER A 55 -12.112 -13.335 -3.319 1.00 0.00 H new ATOM 810 N GLU A 56 -15.850 -12.832 0.484 1.00 0.00 N ATOM 811 CA GLU A 56 -16.213 -12.291 1.786 1.00 0.00 C ATOM 812 C GLU A 56 -14.990 -11.707 2.488 1.00 0.00 C ATOM 813 O GLU A 56 -15.118 -10.906 3.414 1.00 0.00 O ATOM 814 CB GLU A 56 -16.844 -13.378 2.657 1.00 0.00 C ATOM 815 CG GLU A 56 -18.156 -13.912 2.107 1.00 0.00 C ATOM 816 CD GLU A 56 -19.221 -12.838 1.992 1.00 0.00 C ATOM 817 OE1 GLU A 56 -19.067 -11.778 2.636 1.00 0.00 O ATOM 818 OE2 GLU A 56 -20.207 -13.056 1.258 1.00 0.00 O ATOM 0 H GLU A 56 -16.071 -13.820 0.360 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.940 -11.494 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.140 -14.204 2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.015 -12.978 3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.982 -14.352 1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.519 -14.710 2.754 1.00 0.00 H new ATOM 825 N LYS A 57 -13.806 -12.112 2.039 1.00 0.00 N ATOM 826 CA LYS A 57 -12.561 -11.626 2.621 1.00 0.00 C ATOM 827 C LYS A 57 -12.071 -10.382 1.890 1.00 0.00 C ATOM 828 O LYS A 57 -11.733 -10.438 0.707 1.00 0.00 O ATOM 829 CB LYS A 57 -11.490 -12.718 2.573 1.00 0.00 C ATOM 830 CG LYS A 57 -11.848 -13.956 3.379 1.00 0.00 C ATOM 831 CD LYS A 57 -10.734 -14.990 3.335 1.00 0.00 C ATOM 832 CE LYS A 57 -9.642 -14.675 4.344 1.00 0.00 C ATOM 833 NZ LYS A 57 -8.794 -13.532 3.907 1.00 0.00 N ATOM 0 H LYS A 57 -13.683 -12.775 1.274 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.752 -11.362 3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.323 -13.006 1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.550 -12.311 2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.044 -13.674 4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.767 -14.393 2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.145 -15.979 3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.306 -15.023 2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.095 -14.443 5.308 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.017 -15.556 4.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.797 -13.737 4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.905 -13.389 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.086 -12.670 4.411 1.00 0.00 H new ATOM 847 N MET A 58 -12.032 -9.259 2.601 1.00 0.00 N ATOM 848 CA MET A 58 -11.581 -8.001 2.017 1.00 0.00 C ATOM 849 C MET A 58 -10.069 -7.851 2.145 1.00 0.00 C ATOM 850 O MET A 58 -9.518 -7.937 3.242 1.00 0.00 O ATOM 851 CB MET A 58 -12.281 -6.822 2.696 1.00 0.00 C ATOM 852 CG MET A 58 -13.781 -6.783 2.455 1.00 0.00 C ATOM 853 SD MET A 58 -14.672 -8.014 3.424 1.00 0.00 S ATOM 854 CE MET A 58 -15.288 -7.005 4.769 1.00 0.00 C ATOM 0 H MET A 58 -12.307 -9.195 3.581 1.00 0.00 H new ATOM 0 HA MET A 58 -11.838 -8.008 0.958 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.095 -6.869 3.769 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.840 -5.892 2.337 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.159 -5.790 2.700 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.979 -6.947 1.396 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.443 -7.628 5.650 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.563 -6.224 4.999 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.234 -6.548 4.477 1.00 0.00 H new ATOM 864 N MET A 59 -9.404 -7.633 1.016 1.00 0.00 N ATOM 865 CA MET A 59 -7.954 -7.474 1.003 1.00 0.00 C ATOM 866 C MET A 59 -7.517 -6.576 -0.152 1.00 0.00 C ATOM 867 O MET A 59 -8.055 -6.663 -1.255 1.00 0.00 O ATOM 868 CB MET A 59 -7.275 -8.839 0.888 1.00 0.00 C ATOM 869 CG MET A 59 -7.740 -9.838 1.936 1.00 0.00 C ATOM 870 SD MET A 59 -6.866 -11.412 1.833 1.00 0.00 S ATOM 871 CE MET A 59 -5.323 -10.995 2.643 1.00 0.00 C ATOM 0 H MET A 59 -9.845 -7.562 0.099 1.00 0.00 H new ATOM 0 HA MET A 59 -7.654 -7.003 1.939 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.467 -9.249 -0.104 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.196 -8.708 0.976 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.595 -9.411 2.928 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.809 -10.012 1.817 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.488 -11.375 2.053 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.241 -9.912 2.733 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.300 -11.445 3.636 1.00 0.00 H new ATOM 881 N LEU A 60 -6.535 -5.716 0.107 1.00 0.00 N ATOM 882 CA LEU A 60 -6.029 -4.808 -0.915 1.00 0.00 C ATOM 883 C LEU A 60 -4.574 -5.125 -1.249 1.00 0.00 C ATOM 884 O LEU A 60 -3.720 -5.176 -0.364 1.00 0.00 O ATOM 885 CB LEU A 60 -6.150 -3.357 -0.442 1.00 0.00 C ATOM 886 CG LEU A 60 -5.827 -2.302 -1.501 1.00 0.00 C ATOM 887 CD1 LEU A 60 -7.028 -2.065 -2.403 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.389 -1.003 -0.840 1.00 0.00 C ATOM 0 H LEU A 60 -6.076 -5.630 1.014 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.629 -4.941 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.166 -3.191 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.484 -3.211 0.409 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.005 -2.670 -2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.779 -1.311 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.297 -2.996 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.870 -1.718 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.163 -0.263 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.191 -0.631 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.499 -1.184 -0.237 1.00 0.00 H new ATOM 900 N ARG A 61 -4.301 -5.339 -2.532 1.00 0.00 N ATOM 901 CA ARG A 61 -2.950 -5.653 -2.986 1.00 0.00 C ATOM 902 C ARG A 61 -2.350 -4.484 -3.760 1.00 0.00 C ATOM 903 O ARG A 61 -2.971 -3.951 -4.679 1.00 0.00 O ATOM 904 CB ARG A 61 -2.964 -6.906 -3.863 1.00 0.00 C ATOM 905 CG ARG A 61 -1.577 -7.426 -4.203 1.00 0.00 C ATOM 906 CD ARG A 61 -1.640 -8.546 -5.229 1.00 0.00 C ATOM 907 NE ARG A 61 -0.350 -9.215 -5.391 1.00 0.00 N ATOM 908 CZ ARG A 61 0.118 -10.136 -4.553 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.591 -10.500 -3.491 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.300 -10.695 -4.775 1.00 0.00 N ATOM 0 H ARG A 61 -4.997 -5.301 -3.276 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.332 -5.838 -2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.522 -7.691 -3.352 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.497 -6.686 -4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.966 -6.610 -4.590 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.090 -7.787 -3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.391 -9.275 -4.924 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.961 -8.141 -6.189 1.00 0.00 H new ATOM 0 HE ARG A 61 0.225 -8.960 -6.194 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.500 -10.073 -3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.226 -11.207 -2.852 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.850 -10.419 -5.588 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.659 -11.401 -4.132 1.00 0.00 H new ATOM 924 N LEU A 62 -1.137 -4.094 -3.383 1.00 0.00 N ATOM 925 CA LEU A 62 -0.452 -2.991 -4.043 1.00 0.00 C ATOM 926 C LEU A 62 0.837 -3.465 -4.699 1.00 0.00 C ATOM 927 O LEU A 62 1.650 -4.150 -4.078 1.00 0.00 O ATOM 928 CB LEU A 62 -0.154 -1.874 -3.040 1.00 0.00 C ATOM 929 CG LEU A 62 -1.068 -0.655 -3.154 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.454 -0.978 -2.616 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.471 0.533 -2.415 1.00 0.00 C ATOM 0 H LEU A 62 -0.609 -4.526 -2.624 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.108 -2.602 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.235 -2.279 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.879 -1.551 -3.172 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.160 -0.391 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.093 -0.099 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.885 -1.799 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.379 -1.268 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.137 1.391 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.348 0.282 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.500 0.779 -2.845 1.00 0.00 H new ATOM 943 N ILE A 63 1.013 -3.100 -5.961 1.00 0.00 N ATOM 944 CA ILE A 63 2.200 -3.490 -6.712 1.00 0.00 C ATOM 945 C ILE A 63 3.144 -2.309 -6.903 1.00 0.00 C ATOM 946 O ILE A 63 2.722 -1.219 -7.289 1.00 0.00 O ATOM 947 CB ILE A 63 1.828 -4.061 -8.093 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.669 -5.049 -7.962 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.034 -4.731 -8.733 1.00 0.00 C ATOM 950 CD1 ILE A 63 -0.689 -4.383 -7.917 1.00 0.00 C ATOM 0 H ILE A 63 0.348 -2.533 -6.488 1.00 0.00 H new ATOM 0 HA ILE A 63 2.702 -4.262 -6.129 1.00 0.00 H new ATOM 0 HB ILE A 63 1.511 -3.240 -8.737 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.697 -5.743 -8.802 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.806 -5.639 -7.056 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.754 -5.129 -9.708 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.834 -4.001 -8.855 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.380 -5.544 -8.095 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.464 -5.143 -7.823 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.736 -3.710 -7.061 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.846 -3.815 -8.834 1.00 0.00 H new ATOM 962 N GLY A 64 4.425 -2.533 -6.627 1.00 0.00 N ATOM 963 CA GLY A 64 5.411 -1.478 -6.774 1.00 0.00 C ATOM 964 C GLY A 64 5.903 -1.338 -8.202 1.00 0.00 C ATOM 965 O GLY A 64 5.389 -1.993 -9.109 1.00 0.00 O ATOM 0 H GLY A 64 4.798 -3.426 -6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.978 -0.532 -6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.258 -1.683 -6.120 1.00 0.00 H new ATOM 969 N LYS A 65 6.900 -0.483 -8.402 1.00 0.00 N ATOM 970 CA LYS A 65 7.459 -0.259 -9.730 1.00 0.00 C ATOM 971 C LYS A 65 8.220 -1.487 -10.217 1.00 0.00 C ATOM 972 O LYS A 65 8.514 -2.397 -9.442 1.00 0.00 O ATOM 973 CB LYS A 65 8.386 0.959 -9.717 1.00 0.00 C ATOM 974 CG LYS A 65 7.712 2.235 -10.190 1.00 0.00 C ATOM 975 CD LYS A 65 8.662 3.421 -10.137 1.00 0.00 C ATOM 976 CE LYS A 65 7.962 4.714 -10.522 1.00 0.00 C ATOM 977 NZ LYS A 65 8.248 5.101 -11.932 1.00 0.00 N ATOM 0 H LYS A 65 7.337 0.066 -7.662 1.00 0.00 H new ATOM 0 HA LYS A 65 6.633 -0.072 -10.417 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.762 1.109 -8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.249 0.756 -10.351 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.353 2.101 -11.210 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.840 2.438 -9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.073 3.514 -9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.501 3.246 -10.810 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.886 4.599 -10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.282 5.513 -9.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.753 5.988 -12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.272 5.236 -12.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.919 4.350 -12.572 1.00 0.00 H new ATOM 991 N VAL A 66 8.534 -1.505 -11.508 1.00 0.00 N ATOM 992 CA VAL A 66 9.260 -2.620 -12.103 1.00 0.00 C ATOM 993 C VAL A 66 10.491 -2.135 -12.860 1.00 0.00 C ATOM 994 O VAL A 66 11.624 -2.404 -12.459 1.00 0.00 O ATOM 995 CB VAL A 66 8.365 -3.426 -13.066 1.00 0.00 C ATOM 996 CG1 VAL A 66 9.084 -4.676 -13.547 1.00 0.00 C ATOM 997 CG2 VAL A 66 7.046 -3.786 -12.397 1.00 0.00 C ATOM 0 H VAL A 66 8.297 -0.759 -12.162 1.00 0.00 H new ATOM 0 HA VAL A 66 9.572 -3.266 -11.282 1.00 0.00 H new ATOM 0 HB VAL A 66 8.148 -2.803 -13.934 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.435 -5.231 -14.225 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.997 -4.392 -14.069 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.335 -5.303 -12.692 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.428 -4.354 -13.092 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.241 -4.388 -11.509 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.523 -2.874 -12.109 1.00 0.00 H new ATOM 1007 N ASP A 67 10.262 -1.420 -13.956 1.00 0.00 N ATOM 1008 CA ASP A 67 11.355 -0.897 -14.769 1.00 0.00 C ATOM 1009 C ASP A 67 11.827 0.454 -14.244 1.00 0.00 C ATOM 1010 O ASP A 67 11.072 1.427 -14.237 1.00 0.00 O ATOM 1011 CB ASP A 67 10.913 -0.764 -16.228 1.00 0.00 C ATOM 1012 CG ASP A 67 12.051 -0.355 -17.143 1.00 0.00 C ATOM 1013 OD1 ASP A 67 13.221 -0.433 -16.710 1.00 0.00 O ATOM 1014 OD2 ASP A 67 11.773 0.045 -18.293 1.00 0.00 O ATOM 0 H ASP A 67 9.331 -1.189 -14.302 1.00 0.00 H new ATOM 0 HA ASP A 67 12.187 -1.599 -14.710 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.501 -1.714 -16.568 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.113 -0.027 -16.296 1.00 0.00 H new ATOM 1019 N GLU A 68 13.081 0.508 -13.807 1.00 0.00 N ATOM 1020 CA GLU A 68 13.656 1.741 -13.282 1.00 0.00 C ATOM 1021 C GLU A 68 15.011 2.025 -13.920 1.00 0.00 C ATOM 1022 O GLU A 68 15.942 2.476 -13.252 1.00 0.00 O ATOM 1023 CB GLU A 68 13.801 1.654 -11.762 1.00 0.00 C ATOM 1024 CG GLU A 68 12.480 1.468 -11.034 1.00 0.00 C ATOM 1025 CD GLU A 68 12.639 1.475 -9.526 1.00 0.00 C ATOM 1026 OE1 GLU A 68 13.107 0.457 -8.973 1.00 0.00 O ATOM 1027 OE2 GLU A 68 12.294 2.499 -8.898 1.00 0.00 O ATOM 0 H GLU A 68 13.719 -0.288 -13.806 1.00 0.00 H new ATOM 0 HA GLU A 68 12.981 2.561 -13.528 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.462 0.823 -11.516 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.282 2.562 -11.399 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.793 2.262 -11.327 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.028 0.526 -11.344 1.00 0.00 H new ATOM 1034 N SER A 69 15.114 1.756 -15.217 1.00 0.00 N ATOM 1035 CA SER A 69 16.356 1.982 -15.949 1.00 0.00 C ATOM 1036 C SER A 69 16.677 3.470 -16.045 1.00 0.00 C ATOM 1037 O SER A 69 17.828 3.856 -16.246 1.00 0.00 O ATOM 1038 CB SER A 69 16.264 1.376 -17.350 1.00 0.00 C ATOM 1039 OG SER A 69 15.335 2.083 -18.152 1.00 0.00 O ATOM 0 H SER A 69 14.353 1.381 -15.783 1.00 0.00 H new ATOM 0 HA SER A 69 17.162 1.494 -15.400 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.246 1.395 -17.823 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.965 0.330 -17.278 1.00 0.00 H new ATOM 0 HG SER A 69 15.296 1.677 -19.043 1.00 0.00 H new ATOM 1045 N LYS A 70 15.652 4.303 -15.900 1.00 0.00 N ATOM 1046 CA LYS A 70 15.824 5.749 -15.970 1.00 0.00 C ATOM 1047 C LYS A 70 16.803 6.235 -14.906 1.00 0.00 C ATOM 1048 O LYS A 70 17.564 7.176 -15.131 1.00 0.00 O ATOM 1049 CB LYS A 70 14.477 6.453 -15.800 1.00 0.00 C ATOM 1050 CG LYS A 70 13.482 6.135 -16.903 1.00 0.00 C ATOM 1051 CD LYS A 70 12.254 7.030 -16.821 1.00 0.00 C ATOM 1052 CE LYS A 70 11.464 6.776 -15.548 1.00 0.00 C ATOM 1053 NZ LYS A 70 10.007 7.014 -15.742 1.00 0.00 N ATOM 0 H LYS A 70 14.692 4.001 -15.733 1.00 0.00 H new ATOM 0 HA LYS A 70 16.233 5.993 -16.951 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.046 6.168 -14.840 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.641 7.530 -15.769 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.961 6.261 -17.874 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.178 5.091 -16.830 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.561 8.075 -16.857 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.616 6.855 -17.687 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.624 5.749 -15.221 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.835 7.425 -14.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.503 6.830 -14.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.852 8.001 -16.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.647 6.377 -16.481 1.00 0.00 H new ATOM 1067 N LYS A 71 16.776 5.587 -13.745 1.00 0.00 N ATOM 1068 CA LYS A 71 17.661 5.953 -12.646 1.00 0.00 C ATOM 1069 C LYS A 71 19.015 5.266 -12.785 1.00 0.00 C ATOM 1070 O LYS A 71 19.096 4.100 -13.173 1.00 0.00 O ATOM 1071 CB LYS A 71 17.024 5.580 -11.307 1.00 0.00 C ATOM 1072 CG LYS A 71 15.729 6.324 -11.023 1.00 0.00 C ATOM 1073 CD LYS A 71 14.974 5.703 -9.859 1.00 0.00 C ATOM 1074 CE LYS A 71 15.724 5.883 -8.549 1.00 0.00 C ATOM 1075 NZ LYS A 71 15.602 7.272 -8.025 1.00 0.00 N ATOM 0 H LYS A 71 16.151 4.807 -13.542 1.00 0.00 H new ATOM 0 HA LYS A 71 17.816 7.031 -12.681 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.828 4.508 -11.293 1.00 0.00 H new ATOM 0 HB3 LYS A 71 17.734 5.785 -10.506 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.949 7.368 -10.800 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.100 6.314 -11.913 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.987 6.158 -9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.821 4.641 -10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 71 15.337 5.181 -7.810 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.777 5.642 -8.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.127 7.353 -7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.994 7.940 -8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.600 7.494 -7.859 1.00 0.00 H new ATOM 1089 N ARG A 72 20.078 5.997 -12.466 1.00 0.00 N ATOM 1090 CA ARG A 72 21.430 5.459 -12.555 1.00 0.00 C ATOM 1091 C ARG A 72 21.740 4.566 -11.357 1.00 0.00 C ATOM 1092 O ARG A 72 21.546 4.962 -10.208 1.00 0.00 O ATOM 1093 CB ARG A 72 22.450 6.594 -12.637 1.00 0.00 C ATOM 1094 CG ARG A 72 22.501 7.460 -11.389 1.00 0.00 C ATOM 1095 CD ARG A 72 23.345 8.705 -11.607 1.00 0.00 C ATOM 1096 NE ARG A 72 23.505 9.482 -10.380 1.00 0.00 N ATOM 1097 CZ ARG A 72 24.455 10.397 -10.199 1.00 0.00 C ATOM 1098 NH1 ARG A 72 25.331 10.652 -11.162 1.00 0.00 N ATOM 1099 NH2 ARG A 72 24.529 11.057 -9.051 1.00 0.00 N ATOM 0 H ARG A 72 20.029 6.963 -12.144 1.00 0.00 H new ATOM 0 HA ARG A 72 21.495 4.857 -13.461 1.00 0.00 H new ATOM 0 HB2 ARG A 72 23.438 6.170 -12.815 1.00 0.00 H new ATOM 0 HB3 ARG A 72 22.213 7.223 -13.495 1.00 0.00 H new ATOM 0 HG2 ARG A 72 21.489 7.750 -11.105 1.00 0.00 H new ATOM 0 HG3 ARG A 72 22.911 6.882 -10.561 1.00 0.00 H new ATOM 0 HD2 ARG A 72 24.326 8.416 -11.983 1.00 0.00 H new ATOM 0 HD3 ARG A 72 22.881 9.328 -12.372 1.00 0.00 H new ATOM 0 HE ARG A 72 22.850 9.313 -9.617 1.00 0.00 H new ATOM 0 HH11 ARG A 72 25.279 10.146 -12.046 1.00 0.00 H new ATOM 0 HH12 ARG A 72 26.057 11.354 -11.018 1.00 0.00 H new ATOM 0 HH21 ARG A 72 23.858 10.863 -8.307 1.00 0.00 H new ATOM 0 HH22 ARG A 72 25.257 11.758 -8.912 1.00 0.00 H new ATOM 1113 N LYS A 73 22.225 3.361 -11.635 1.00 0.00 N ATOM 1114 CA LYS A 73 22.563 2.411 -10.581 1.00 0.00 C ATOM 1115 C LYS A 73 23.910 2.752 -9.953 1.00 0.00 C ATOM 1116 O LYS A 73 24.816 3.238 -10.630 1.00 0.00 O ATOM 1117 CB LYS A 73 22.593 0.987 -11.139 1.00 0.00 C ATOM 1118 CG LYS A 73 21.260 0.528 -11.707 1.00 0.00 C ATOM 1119 CD LYS A 73 21.284 -0.949 -12.062 1.00 0.00 C ATOM 1120 CE LYS A 73 22.277 -1.239 -13.177 1.00 0.00 C ATOM 1121 NZ LYS A 73 21.769 -2.274 -14.118 1.00 0.00 N ATOM 0 H LYS A 73 22.393 3.019 -12.581 1.00 0.00 H new ATOM 0 HA LYS A 73 21.796 2.475 -9.809 1.00 0.00 H new ATOM 0 HB2 LYS A 73 23.351 0.928 -11.920 1.00 0.00 H new ATOM 0 HB3 LYS A 73 22.896 0.302 -10.347 1.00 0.00 H new ATOM 0 HG2 LYS A 73 20.470 0.716 -10.980 1.00 0.00 H new ATOM 0 HG3 LYS A 73 21.021 1.113 -12.595 1.00 0.00 H new ATOM 0 HD2 LYS A 73 21.546 -1.532 -11.179 1.00 0.00 H new ATOM 0 HD3 LYS A 73 20.288 -1.267 -12.369 1.00 0.00 H new ATOM 0 HE2 LYS A 73 22.485 -0.320 -13.726 1.00 0.00 H new ATOM 0 HE3 LYS A 73 23.220 -1.573 -12.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 22.572 -2.780 -14.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 21.169 -2.948 -13.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 21.211 -1.818 -14.867 1.00 0.00 H new ATOM 1135 N ASP A 74 24.035 2.495 -8.656 1.00 0.00 N ATOM 1136 CA ASP A 74 25.273 2.774 -7.936 1.00 0.00 C ATOM 1137 C ASP A 74 26.439 1.995 -8.531 1.00 0.00 C ATOM 1138 O ASP A 74 27.590 2.426 -8.457 1.00 0.00 O ATOM 1139 CB ASP A 74 25.116 2.433 -6.453 1.00 0.00 C ATOM 1140 CG ASP A 74 24.139 3.352 -5.747 1.00 0.00 C ATOM 1141 OD1 ASP A 74 23.815 4.419 -6.309 1.00 0.00 O ATOM 1142 OD2 ASP A 74 23.698 3.006 -4.631 1.00 0.00 O ATOM 0 H ASP A 74 23.294 2.094 -8.081 1.00 0.00 H new ATOM 0 HA ASP A 74 25.487 3.838 -8.034 1.00 0.00 H new ATOM 0 HB2 ASP A 74 24.776 1.402 -6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 74 26.088 2.496 -5.964 1.00 0.00 H new ATOM 1147 N ASN A 75 26.130 0.846 -9.120 1.00 0.00 N ATOM 1148 CA ASN A 75 27.145 -0.010 -9.736 1.00 0.00 C ATOM 1149 C ASN A 75 27.957 -0.770 -8.686 1.00 0.00 C ATOM 1150 O ASN A 75 28.870 -1.523 -9.026 1.00 0.00 O ATOM 1151 CB ASN A 75 28.086 0.822 -10.608 1.00 0.00 C ATOM 1152 CG ASN A 75 28.833 -0.021 -11.623 1.00 0.00 C ATOM 1153 OD1 ASN A 75 28.229 -0.634 -12.504 1.00 0.00 O ATOM 1154 ND2 ASN A 75 30.156 -0.057 -11.505 1.00 0.00 N ATOM 0 H ASN A 75 25.180 0.481 -9.186 1.00 0.00 H new ATOM 0 HA ASN A 75 26.623 -0.739 -10.355 1.00 0.00 H new ATOM 0 HB2 ASN A 75 27.511 1.588 -11.129 1.00 0.00 H new ATOM 0 HB3 ASN A 75 28.804 1.340 -9.971 1.00 0.00 H new ATOM 0 HD21 ASN A 75 30.712 -0.608 -12.159 1.00 0.00 H new ATOM 0 HD22 ASN A 75 30.616 0.466 -10.760 1.00 0.00 H new ATOM 1161 N GLU A 76 27.625 -0.571 -7.414 1.00 0.00 N ATOM 1162 CA GLU A 76 28.331 -1.242 -6.328 1.00 0.00 C ATOM 1163 C GLU A 76 27.591 -2.501 -5.889 1.00 0.00 C ATOM 1164 O GLU A 76 27.519 -2.811 -4.699 1.00 0.00 O ATOM 1165 CB GLU A 76 28.500 -0.295 -5.139 1.00 0.00 C ATOM 1166 CG GLU A 76 29.305 0.953 -5.466 1.00 0.00 C ATOM 1167 CD GLU A 76 29.533 1.834 -4.253 1.00 0.00 C ATOM 1168 OE1 GLU A 76 28.585 2.535 -3.842 1.00 0.00 O ATOM 1169 OE2 GLU A 76 30.660 1.824 -3.715 1.00 0.00 O ATOM 0 H GLU A 76 26.873 0.048 -7.111 1.00 0.00 H new ATOM 0 HA GLU A 76 29.315 -1.533 -6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 76 27.515 0.002 -4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 76 28.989 -0.830 -4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 76 30.268 0.660 -5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 76 28.785 1.526 -6.234 1.00 0.00 H new ATOM 1176 N GLY A 77 27.042 -3.226 -6.858 1.00 0.00 N ATOM 1177 CA GLY A 77 26.315 -4.445 -6.552 1.00 0.00 C ATOM 1178 C GLY A 77 25.049 -4.185 -5.763 1.00 0.00 C ATOM 1179 O GLY A 77 24.679 -4.973 -4.893 1.00 0.00 O ATOM 0 H GLY A 77 27.087 -2.992 -7.850 1.00 0.00 H new ATOM 0 HA2 GLY A 77 26.061 -4.955 -7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 77 26.960 -5.116 -5.986 1.00 0.00 H new ATOM 1183 N ASN A 78 24.381 -3.076 -6.065 1.00 0.00 N ATOM 1184 CA ASN A 78 23.147 -2.714 -5.376 1.00 0.00 C ATOM 1185 C ASN A 78 21.923 -3.142 -6.182 1.00 0.00 C ATOM 1186 O ASN A 78 20.843 -2.569 -6.035 1.00 0.00 O ATOM 1187 CB ASN A 78 23.104 -1.206 -5.122 1.00 0.00 C ATOM 1188 CG ASN A 78 24.176 -0.753 -4.151 1.00 0.00 C ATOM 1189 OD1 ASN A 78 24.818 -1.569 -3.489 1.00 0.00 O ATOM 1190 ND2 ASN A 78 24.375 0.557 -4.058 1.00 0.00 N ATOM 0 H ASN A 78 24.673 -2.412 -6.782 1.00 0.00 H new ATOM 0 HA ASN A 78 23.129 -3.238 -4.420 1.00 0.00 H new ATOM 0 HB2 ASN A 78 23.227 -0.677 -6.067 1.00 0.00 H new ATOM 0 HB3 ASN A 78 22.124 -0.934 -4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 78 25.082 0.921 -3.420 1.00 0.00 H new ATOM 0 HD22 ASN A 78 23.821 1.199 -4.625 1.00 0.00 H new ATOM 1197 N GLU A 79 22.097 -4.150 -7.030 1.00 0.00 N ATOM 1198 CA GLU A 79 21.004 -4.651 -7.855 1.00 0.00 C ATOM 1199 C GLU A 79 20.654 -6.088 -7.482 1.00 0.00 C ATOM 1200 O GLU A 79 21.537 -6.934 -7.335 1.00 0.00 O ATOM 1201 CB GLU A 79 21.378 -4.574 -9.337 1.00 0.00 C ATOM 1202 CG GLU A 79 20.247 -4.975 -10.271 1.00 0.00 C ATOM 1203 CD GLU A 79 20.677 -5.003 -11.724 1.00 0.00 C ATOM 1204 OE1 GLU A 79 21.011 -3.929 -12.266 1.00 0.00 O ATOM 1205 OE2 GLU A 79 20.678 -6.100 -12.322 1.00 0.00 O ATOM 0 H GLU A 79 22.984 -4.636 -7.164 1.00 0.00 H new ATOM 0 HA GLU A 79 20.130 -4.025 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.689 -3.556 -9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 79 22.236 -5.220 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.877 -5.960 -9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 79 19.418 -4.277 -10.154 1.00 0.00 H new ATOM 1212 N VAL A 80 19.362 -6.357 -7.331 1.00 0.00 N ATOM 1213 CA VAL A 80 18.896 -7.692 -6.975 1.00 0.00 C ATOM 1214 C VAL A 80 17.371 -7.740 -6.907 1.00 0.00 C ATOM 1215 O VAL A 80 16.795 -8.304 -5.975 1.00 0.00 O ATOM 1216 CB VAL A 80 19.482 -8.150 -5.624 1.00 0.00 C ATOM 1217 CG1 VAL A 80 19.016 -7.240 -4.497 1.00 0.00 C ATOM 1218 CG2 VAL A 80 19.110 -9.598 -5.340 1.00 0.00 C ATOM 0 H VAL A 80 18.619 -5.668 -7.450 1.00 0.00 H new ATOM 0 HA VAL A 80 19.241 -8.370 -7.756 1.00 0.00 H new ATOM 0 HB VAL A 80 20.568 -8.084 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 80 19.442 -7.582 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.344 -6.219 -4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 80 17.928 -7.266 -4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.533 -9.901 -4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.025 -9.695 -5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 80 19.505 -10.237 -6.130 1.00 0.00 H new ATOM 1228 N VAL A 81 16.721 -7.145 -7.901 1.00 0.00 N ATOM 1229 CA VAL A 81 15.264 -7.117 -7.956 1.00 0.00 C ATOM 1230 C VAL A 81 14.754 -7.635 -9.298 1.00 0.00 C ATOM 1231 O VAL A 81 14.368 -6.855 -10.169 1.00 0.00 O ATOM 1232 CB VAL A 81 14.719 -5.695 -7.725 1.00 0.00 C ATOM 1233 CG1 VAL A 81 14.825 -5.316 -6.255 1.00 0.00 C ATOM 1234 CG2 VAL A 81 15.457 -4.691 -8.597 1.00 0.00 C ATOM 0 H VAL A 81 17.181 -6.675 -8.681 1.00 0.00 H new ATOM 0 HA VAL A 81 14.905 -7.768 -7.159 1.00 0.00 H new ATOM 0 HB VAL A 81 13.666 -5.679 -8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.435 -4.308 -6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 81 14.246 -6.019 -5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 81 15.869 -5.349 -5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.058 -3.692 -8.420 1.00 0.00 H new ATOM 0 HG22 VAL A 81 16.519 -4.706 -8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 81 15.324 -4.954 -9.646 1.00 0.00 H new ATOM 1244 N PRO A 82 14.743 -8.967 -9.484 1.00 0.00 N ATOM 1245 CA PRO A 82 14.276 -9.586 -10.728 1.00 0.00 C ATOM 1246 C PRO A 82 12.782 -9.377 -10.953 1.00 0.00 C ATOM 1247 O PRO A 82 12.312 -9.363 -12.091 1.00 0.00 O ATOM 1248 CB PRO A 82 14.583 -11.074 -10.529 1.00 0.00 C ATOM 1249 CG PRO A 82 14.641 -11.257 -9.051 1.00 0.00 C ATOM 1250 CD PRO A 82 15.182 -9.970 -8.497 1.00 0.00 C ATOM 0 HA PRO A 82 14.761 -9.153 -11.603 1.00 0.00 H new ATOM 0 HB2 PRO A 82 13.810 -11.700 -10.975 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.527 -11.349 -10.999 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.652 -11.472 -8.645 1.00 0.00 H new ATOM 0 HG3 PRO A 82 15.284 -12.097 -8.786 1.00 0.00 H new ATOM 0 HD2 PRO A 82 14.783 -9.760 -7.505 1.00 0.00 H new ATOM 0 HD3 PRO A 82 16.268 -9.996 -8.405 1.00 0.00 H new ATOM 1258 N LYS A 83 12.041 -9.216 -9.862 1.00 0.00 N ATOM 1259 CA LYS A 83 10.600 -9.008 -9.941 1.00 0.00 C ATOM 1260 C LYS A 83 10.173 -7.813 -9.089 1.00 0.00 C ATOM 1261 O LYS A 83 10.866 -7.437 -8.144 1.00 0.00 O ATOM 1262 CB LYS A 83 9.855 -10.266 -9.485 1.00 0.00 C ATOM 1263 CG LYS A 83 9.572 -11.246 -10.611 1.00 0.00 C ATOM 1264 CD LYS A 83 8.431 -12.185 -10.257 1.00 0.00 C ATOM 1265 CE LYS A 83 7.913 -12.920 -11.483 1.00 0.00 C ATOM 1266 NZ LYS A 83 6.436 -13.094 -11.444 1.00 0.00 N ATOM 0 H LYS A 83 12.414 -9.226 -8.913 1.00 0.00 H new ATOM 0 HA LYS A 83 10.346 -8.800 -10.980 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.443 -10.768 -8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.912 -9.973 -9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.324 -10.697 -11.519 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.470 -11.826 -10.824 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.770 -12.908 -9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.619 -11.617 -9.802 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.190 -12.368 -12.381 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.392 -13.897 -11.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.123 -13.599 -12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.173 -13.643 -10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.977 -12.161 -11.406 1.00 0.00 H new ATOM 1280 N PRO A 84 9.021 -7.201 -9.415 1.00 0.00 N ATOM 1281 CA PRO A 84 8.506 -6.046 -8.675 1.00 0.00 C ATOM 1282 C PRO A 84 8.045 -6.418 -7.270 1.00 0.00 C ATOM 1283 O PRO A 84 7.689 -7.566 -7.006 1.00 0.00 O ATOM 1284 CB PRO A 84 7.319 -5.580 -9.522 1.00 0.00 C ATOM 1285 CG PRO A 84 6.885 -6.793 -10.268 1.00 0.00 C ATOM 1286 CD PRO A 84 8.134 -7.587 -10.528 1.00 0.00 C ATOM 0 HA PRO A 84 9.269 -5.281 -8.531 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.515 -5.191 -8.897 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.609 -4.779 -10.203 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.168 -7.373 -9.687 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.393 -6.522 -11.202 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.936 -8.659 -10.531 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.572 -7.341 -11.495 1.00 0.00 H new ATOM 1294 N GLN A 85 8.052 -5.438 -6.372 1.00 0.00 N ATOM 1295 CA GLN A 85 7.633 -5.663 -4.993 1.00 0.00 C ATOM 1296 C GLN A 85 6.201 -5.183 -4.774 1.00 0.00 C ATOM 1297 O GLN A 85 5.862 -4.044 -5.092 1.00 0.00 O ATOM 1298 CB GLN A 85 8.577 -4.944 -4.027 1.00 0.00 C ATOM 1299 CG GLN A 85 8.553 -3.430 -4.167 1.00 0.00 C ATOM 1300 CD GLN A 85 9.526 -2.742 -3.230 1.00 0.00 C ATOM 1301 OE1 GLN A 85 10.722 -2.655 -3.513 1.00 0.00 O ATOM 1302 NE2 GLN A 85 9.019 -2.250 -2.106 1.00 0.00 N ATOM 0 H GLN A 85 8.343 -4.481 -6.574 1.00 0.00 H new ATOM 0 HA GLN A 85 7.672 -6.735 -4.798 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.309 -5.210 -3.005 1.00 0.00 H new ATOM 0 HB3 GLN A 85 9.594 -5.300 -4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.793 -3.160 -5.196 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.545 -3.066 -3.969 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.022 -2.345 -1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.626 -1.777 -1.437 1.00 0.00 H new ATOM 1311 N ARG A 86 5.365 -6.062 -4.229 1.00 0.00 N ATOM 1312 CA ARG A 86 3.970 -5.729 -3.968 1.00 0.00 C ATOM 1313 C ARG A 86 3.628 -5.940 -2.496 1.00 0.00 C ATOM 1314 O ARG A 86 4.122 -6.873 -1.862 1.00 0.00 O ATOM 1315 CB ARG A 86 3.049 -6.581 -4.844 1.00 0.00 C ATOM 1316 CG ARG A 86 3.162 -8.073 -4.575 1.00 0.00 C ATOM 1317 CD ARG A 86 4.149 -8.735 -5.521 1.00 0.00 C ATOM 1318 NE ARG A 86 4.173 -10.187 -5.359 1.00 0.00 N ATOM 1319 CZ ARG A 86 4.686 -11.024 -6.258 1.00 0.00 C ATOM 1320 NH1 ARG A 86 5.219 -10.559 -7.381 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.667 -12.331 -6.034 1.00 0.00 N ATOM 0 H ARG A 86 5.630 -7.010 -3.960 1.00 0.00 H new ATOM 0 HA ARG A 86 3.821 -4.677 -4.211 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.017 -6.268 -4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.280 -6.391 -5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.479 -8.235 -3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.183 -8.539 -4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.886 -8.489 -6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.147 -8.334 -5.343 1.00 0.00 H new ATOM 0 HE ARG A 86 3.774 -10.582 -4.508 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.237 -9.555 -7.559 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.610 -11.206 -8.066 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.259 -12.695 -5.173 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.060 -12.972 -6.723 1.00 0.00 H new ATOM 1335 N HIS A 87 2.778 -5.071 -1.960 1.00 0.00 N ATOM 1336 CA HIS A 87 2.368 -5.165 -0.564 1.00 0.00 C ATOM 1337 C HIS A 87 0.946 -5.701 -0.451 1.00 0.00 C ATOM 1338 O HIS A 87 -0.004 -5.070 -0.913 1.00 0.00 O ATOM 1339 CB HIS A 87 2.463 -3.795 0.111 1.00 0.00 C ATOM 1340 CG HIS A 87 3.857 -3.415 0.502 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.254 -3.257 1.813 1.00 0.00 N ATOM 1342 CD2 HIS A 87 4.951 -3.158 -0.255 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.532 -2.920 1.846 1.00 0.00 C ATOM 1344 NE2 HIS A 87 5.978 -2.854 0.605 1.00 0.00 N ATOM 0 H HIS A 87 2.360 -4.294 -2.471 1.00 0.00 H new ATOM 0 HA HIS A 87 3.041 -5.859 -0.060 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.065 -3.038 -0.565 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.832 -3.793 1.000 1.00 0.00 H new ATOM 0 HD1 HIS A 87 3.655 -3.381 2.630 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.005 -3.187 -1.333 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.113 -2.731 2.737 1.00 0.00 H new ATOM 1353 N MET A 88 0.807 -6.869 0.165 1.00 0.00 N ATOM 1354 CA MET A 88 -0.500 -7.489 0.338 1.00 0.00 C ATOM 1355 C MET A 88 -1.111 -7.098 1.680 1.00 0.00 C ATOM 1356 O MET A 88 -0.540 -7.368 2.735 1.00 0.00 O ATOM 1357 CB MET A 88 -0.382 -9.013 0.241 1.00 0.00 C ATOM 1358 CG MET A 88 -1.642 -9.691 -0.274 1.00 0.00 C ATOM 1359 SD MET A 88 -3.066 -9.427 0.802 1.00 0.00 S ATOM 1360 CE MET A 88 -2.406 -9.970 2.376 1.00 0.00 C ATOM 0 H MET A 88 1.583 -7.405 0.553 1.00 0.00 H new ATOM 0 HA MET A 88 -1.154 -7.132 -0.457 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.450 -9.263 -0.417 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.141 -9.414 1.226 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.871 -9.314 -1.271 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.459 -10.761 -0.372 1.00 0.00 H new ATOM 0 HE1 MET A 88 -3.016 -9.568 3.185 1.00 0.00 H new ATOM 0 HE2 MET A 88 -2.418 -11.059 2.419 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.381 -9.614 2.483 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.275 -6.458 1.630 1.00 0.00 N ATOM 1371 CA PHE A 89 -2.962 -6.026 2.841 1.00 0.00 C ATOM 1372 C PHE A 89 -4.274 -6.781 3.028 1.00 0.00 C ATOM 1373 O PHE A 89 -4.830 -7.326 2.074 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.233 -4.523 2.788 1.00 0.00 C ATOM 1375 CG PHE A 89 -2.002 -3.685 2.970 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.579 -3.323 4.237 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.268 -3.262 1.874 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.445 -2.553 4.410 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.134 -2.491 2.039 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.279 -2.135 3.309 1.00 0.00 C ATOM 0 H PHE A 89 -2.762 -6.227 0.764 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.315 -6.246 3.690 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.691 -4.278 1.830 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.956 -4.265 3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.142 -3.646 5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.586 -3.538 0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.125 -2.278 5.404 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.429 -2.167 1.177 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.165 -1.532 3.441 1.00 0.00 H new ATOM 1390 N SER A 90 -4.764 -6.803 4.262 1.00 0.00 N ATOM 1391 CA SER A 90 -6.015 -7.484 4.579 1.00 0.00 C ATOM 1392 C SER A 90 -6.972 -6.538 5.295 1.00 0.00 C ATOM 1393 O SER A 90 -6.650 -5.998 6.354 1.00 0.00 O ATOM 1394 CB SER A 90 -5.747 -8.716 5.446 1.00 0.00 C ATOM 1395 OG SER A 90 -6.510 -9.825 5.004 1.00 0.00 O ATOM 0 H SER A 90 -4.314 -6.357 5.061 1.00 0.00 H new ATOM 0 HA SER A 90 -6.476 -7.806 3.645 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.686 -8.964 5.413 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.990 -8.494 6.485 1.00 0.00 H new ATOM 0 HG SER A 90 -6.320 -10.600 5.573 1.00 0.00 H new ATOM 1401 N PHE A 91 -8.145 -6.332 4.706 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.142 -5.441 5.282 1.00 0.00 C ATOM 1403 C PHE A 91 -10.234 -6.212 6.006 1.00 0.00 C ATOM 1404 O PHE A 91 -10.653 -7.284 5.567 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.769 -4.580 4.190 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.958 -3.368 3.859 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.892 -3.454 2.983 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.261 -2.146 4.430 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.138 -2.339 2.678 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.511 -1.024 4.132 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.446 -1.121 3.253 1.00 0.00 C ATOM 0 H PHE A 91 -8.428 -6.771 3.830 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.634 -4.807 6.008 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.896 -5.181 3.290 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.764 -4.268 4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.647 -4.404 2.532 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.092 -2.067 5.116 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.309 -2.418 1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.755 -0.074 4.584 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.857 -0.247 3.017 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.702 -5.646 7.109 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.762 -6.258 7.891 1.00 0.00 C ATOM 1423 C ASN A 92 -13.103 -5.592 7.588 1.00 0.00 C ATOM 1424 O ASN A 92 -14.098 -5.846 8.268 1.00 0.00 O ATOM 1425 CB ASN A 92 -11.451 -6.155 9.385 1.00 0.00 C ATOM 1426 CG ASN A 92 -10.713 -7.372 9.908 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -10.993 -7.861 11.001 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.759 -7.867 9.126 1.00 0.00 N ATOM 0 H ASN A 92 -10.361 -4.760 7.482 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.825 -7.311 7.618 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.851 -5.264 9.568 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.381 -6.032 9.939 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.227 -8.684 9.426 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.559 -7.430 8.226 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.126 -4.736 6.564 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.347 -4.044 6.184 1.00 0.00 C ATOM 1437 C ASN A 93 -14.301 -3.596 4.728 1.00 0.00 C ATOM 1438 O ASN A 93 -13.329 -2.982 4.286 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.580 -2.836 7.095 1.00 0.00 C ATOM 1440 CG ASN A 93 -16.039 -2.426 7.150 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -16.906 -3.223 7.506 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -16.316 -1.177 6.796 1.00 0.00 N ATOM 0 H ASN A 93 -12.314 -4.510 5.989 1.00 0.00 H new ATOM 0 HA ASN A 93 -15.175 -4.744 6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.233 -3.071 8.101 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.983 -1.996 6.740 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -17.280 -0.844 6.813 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -15.565 -0.550 6.507 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.361 -3.904 3.988 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.447 -3.532 2.581 1.00 0.00 C ATOM 1451 C ARG A 94 -15.385 -2.017 2.420 1.00 0.00 C ATOM 1452 O ARG A 94 -14.740 -1.506 1.507 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.739 -4.071 1.965 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.805 -5.588 1.919 1.00 0.00 C ATOM 1455 CD ARG A 94 -18.018 -6.071 1.139 1.00 0.00 C ATOM 1456 NE ARG A 94 -18.234 -7.507 1.295 1.00 0.00 N ATOM 1457 CZ ARG A 94 -19.177 -8.189 0.650 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -19.991 -7.571 -0.196 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -19.305 -9.493 0.851 1.00 0.00 N ATOM 0 H ARG A 94 -16.173 -4.411 4.340 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.597 -3.972 2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.588 -3.696 2.537 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.839 -3.681 0.952 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.897 -5.979 1.460 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.844 -5.982 2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -18.904 -5.533 1.477 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -17.886 -5.837 0.083 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.626 -8.017 1.936 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -19.896 -6.568 -0.355 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.712 -8.099 -0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.681 -9.973 1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.028 -10.017 0.357 1.00 0.00 H new ATOM 1473 N THR A 95 -16.063 -1.303 3.313 1.00 0.00 N ATOM 1474 CA THR A 95 -16.086 0.138 3.275 1.00 0.00 C ATOM 1475 C THR A 95 -14.696 0.707 3.510 1.00 0.00 C ATOM 1476 O THR A 95 -14.279 1.660 2.850 1.00 0.00 O ATOM 1477 CB THR A 95 -17.055 0.638 4.335 1.00 0.00 C ATOM 1478 OG1 THR A 95 -17.984 -0.375 4.683 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.844 1.840 3.897 1.00 0.00 C ATOM 0 H THR A 95 -16.605 -1.712 4.074 1.00 0.00 H new ATOM 0 HA THR A 95 -16.415 0.470 2.290 1.00 0.00 H new ATOM 0 HB THR A 95 -16.433 0.917 5.186 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.598 -0.035 5.367 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.516 2.146 4.699 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.162 2.658 3.663 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.427 1.589 3.011 1.00 0.00 H new ATOM 1487 N VAL A 96 -13.984 0.109 4.449 1.00 0.00 N ATOM 1488 CA VAL A 96 -12.636 0.538 4.775 1.00 0.00 C ATOM 1489 C VAL A 96 -11.667 0.144 3.671 1.00 0.00 C ATOM 1490 O VAL A 96 -10.703 0.855 3.389 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.156 -0.054 6.116 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -10.742 0.408 6.437 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.112 0.322 7.239 1.00 0.00 C ATOM 0 H VAL A 96 -14.320 -0.680 5.002 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.659 1.624 4.869 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.144 -1.140 6.024 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.425 -0.022 7.387 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.065 0.082 5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.722 1.496 6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.757 -0.105 8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.159 1.407 7.329 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.106 -0.067 7.017 1.00 0.00 H new ATOM 1503 N MET A 97 -11.938 -0.991 3.047 1.00 0.00 N ATOM 1504 CA MET A 97 -11.097 -1.484 1.964 1.00 0.00 C ATOM 1505 C MET A 97 -11.404 -0.741 0.667 1.00 0.00 C ATOM 1506 O MET A 97 -10.528 -0.558 -0.178 1.00 0.00 O ATOM 1507 CB MET A 97 -11.278 -2.999 1.789 1.00 0.00 C ATOM 1508 CG MET A 97 -12.351 -3.397 0.781 1.00 0.00 C ATOM 1509 SD MET A 97 -11.671 -3.766 -0.847 1.00 0.00 S ATOM 1510 CE MET A 97 -12.218 -5.456 -1.069 1.00 0.00 C ATOM 0 H MET A 97 -12.733 -1.589 3.271 1.00 0.00 H new ATOM 0 HA MET A 97 -10.054 -1.296 2.221 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.327 -3.432 1.478 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.526 -3.436 2.756 1.00 0.00 H new ATOM 0 HG2 MET A 97 -12.887 -4.270 1.153 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.078 -2.590 0.692 1.00 0.00 H new ATOM 0 HE1 MET A 97 -11.771 -5.867 -1.974 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.912 -6.053 -0.210 1.00 0.00 H new ATOM 0 HE3 MET A 97 -13.304 -5.478 -1.158 1.00 0.00 H new ATOM 1520 N ASP A 98 -12.655 -0.312 0.519 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.075 0.413 -0.668 1.00 0.00 C ATOM 1522 C ASP A 98 -12.756 1.898 -0.540 1.00 0.00 C ATOM 1523 O ASP A 98 -12.584 2.596 -1.539 1.00 0.00 O ATOM 1524 CB ASP A 98 -14.571 0.216 -0.914 1.00 0.00 C ATOM 1525 CG ASP A 98 -14.921 -1.225 -1.233 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -14.002 -1.995 -1.584 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -16.113 -1.582 -1.133 1.00 0.00 O ATOM 0 H ASP A 98 -13.393 -0.456 1.209 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.523 0.015 -1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.126 0.535 -0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.888 0.855 -1.738 1.00 0.00 H new ATOM 1532 N ASN A 99 -12.678 2.374 0.697 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.379 3.774 0.958 1.00 0.00 C ATOM 1534 C ASN A 99 -10.910 4.070 0.697 1.00 0.00 C ATOM 1535 O ASN A 99 -10.549 5.169 0.273 1.00 0.00 O ATOM 1536 CB ASN A 99 -12.740 4.139 2.400 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.175 4.608 2.537 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -14.459 5.579 3.239 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -15.091 3.921 1.864 1.00 0.00 N ATOM 0 H ASN A 99 -12.818 1.809 1.535 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.980 4.380 0.280 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.581 3.272 3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.069 4.923 2.752 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -16.073 4.192 1.917 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.813 3.122 1.294 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.070 3.079 0.948 1.00 0.00 N ATOM 1547 CA ILE A 100 -8.635 3.216 0.739 1.00 0.00 C ATOM 1548 C ILE A 100 -8.271 2.936 -0.717 1.00 0.00 C ATOM 1549 O ILE A 100 -7.482 3.662 -1.320 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.840 2.261 1.655 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.170 2.536 3.123 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.345 2.400 1.405 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.672 3.877 3.617 1.00 0.00 C ATOM 0 H ILE A 100 -10.358 2.165 1.299 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.369 4.243 0.988 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.130 1.236 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.250 2.487 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.735 1.748 3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.802 1.719 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.126 2.156 0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.036 3.425 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.943 4.002 4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.588 3.923 3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.126 4.673 3.028 1.00 0.00 H new ATOM 1565 N LYS A 101 -8.854 1.882 -1.275 1.00 0.00 N ATOM 1566 CA LYS A 101 -8.594 1.511 -2.660 1.00 0.00 C ATOM 1567 C LYS A 101 -8.971 2.648 -3.603 1.00 0.00 C ATOM 1568 O LYS A 101 -8.346 2.837 -4.646 1.00 0.00 O ATOM 1569 CB LYS A 101 -9.376 0.248 -3.028 1.00 0.00 C ATOM 1570 CG LYS A 101 -9.111 -0.239 -4.442 1.00 0.00 C ATOM 1571 CD LYS A 101 -10.000 -1.420 -4.799 1.00 0.00 C ATOM 1572 CE LYS A 101 -11.321 -0.961 -5.396 1.00 0.00 C ATOM 1573 NZ LYS A 101 -11.121 -0.006 -6.520 1.00 0.00 N ATOM 0 H LYS A 101 -9.510 1.270 -0.790 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.527 1.312 -2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.121 -0.545 -2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.442 0.444 -2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.284 0.574 -5.147 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.064 -0.527 -4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.483 -2.065 -5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.190 -2.017 -3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.879 -1.827 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.925 -0.488 -4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.911 -0.089 -7.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.083 0.965 -6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.229 -0.225 -7.007 1.00 0.00 H new ATOM 1587 N MET A 102 -9.999 3.400 -3.228 1.00 0.00 N ATOM 1588 CA MET A 102 -10.465 4.519 -4.038 1.00 0.00 C ATOM 1589 C MET A 102 -9.562 5.729 -3.869 1.00 0.00 C ATOM 1590 O MET A 102 -9.141 6.348 -4.846 1.00 0.00 O ATOM 1591 CB MET A 102 -11.906 4.878 -3.665 1.00 0.00 C ATOM 1592 CG MET A 102 -12.469 6.050 -4.451 1.00 0.00 C ATOM 1593 SD MET A 102 -13.084 5.565 -6.077 1.00 0.00 S ATOM 1594 CE MET A 102 -14.765 5.097 -5.675 1.00 0.00 C ATOM 0 H MET A 102 -10.526 3.255 -2.367 1.00 0.00 H new ATOM 0 HA MET A 102 -10.434 4.216 -5.085 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.541 4.007 -3.825 1.00 0.00 H new ATOM 0 HB3 MET A 102 -11.949 5.112 -2.601 1.00 0.00 H new ATOM 0 HG2 MET A 102 -13.278 6.508 -3.883 1.00 0.00 H new ATOM 0 HG3 MET A 102 -11.695 6.808 -4.571 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.279 4.772 -6.580 1.00 0.00 H new ATOM 0 HE2 MET A 102 -14.753 4.281 -4.952 1.00 0.00 H new ATOM 0 HE3 MET A 102 -15.289 5.952 -5.248 1.00 0.00 H new ATOM 1604 N THR A 103 -9.267 6.056 -2.624 1.00 0.00 N ATOM 1605 CA THR A 103 -8.409 7.191 -2.317 1.00 0.00 C ATOM 1606 C THR A 103 -7.005 6.957 -2.865 1.00 0.00 C ATOM 1607 O THR A 103 -6.373 7.870 -3.394 1.00 0.00 O ATOM 1608 CB THR A 103 -8.368 7.440 -0.803 1.00 0.00 C ATOM 1609 OG1 THR A 103 -8.092 8.801 -0.528 1.00 0.00 O ATOM 1610 CG2 THR A 103 -7.334 6.607 -0.071 1.00 0.00 C ATOM 0 H THR A 103 -9.609 5.552 -1.806 1.00 0.00 H new ATOM 0 HA THR A 103 -8.821 8.079 -2.796 1.00 0.00 H new ATOM 0 HB THR A 103 -9.355 7.150 -0.444 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.071 8.941 0.442 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.366 6.840 0.993 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.549 5.549 -0.218 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.342 6.833 -0.462 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.532 5.723 -2.741 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.210 5.362 -3.230 1.00 0.00 C ATOM 1620 C LEU A 104 -5.156 5.474 -4.749 1.00 0.00 C ATOM 1621 O LEU A 104 -4.118 5.809 -5.320 1.00 0.00 O ATOM 1622 CB LEU A 104 -4.846 3.941 -2.796 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.490 3.786 -1.316 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.080 2.354 -1.014 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.379 4.753 -0.934 1.00 0.00 C ATOM 0 H LEU A 104 -7.045 4.956 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.486 6.054 -2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.684 3.282 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.001 3.600 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.372 4.022 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.830 2.262 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.904 1.682 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.211 2.090 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.137 4.631 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.494 4.546 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.709 5.776 -1.114 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.284 5.195 -5.399 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.360 5.269 -6.853 1.00 0.00 C ATOM 1639 C GLN A 105 -6.198 6.705 -7.327 1.00 0.00 C ATOM 1640 O GLN A 105 -5.632 6.960 -8.390 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.688 4.696 -7.350 1.00 0.00 C ATOM 1642 CG GLN A 105 -7.751 3.178 -7.304 1.00 0.00 C ATOM 1643 CD GLN A 105 -7.303 2.537 -8.604 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -8.116 2.261 -9.486 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -6.002 2.297 -8.728 1.00 0.00 N ATOM 0 H GLN A 105 -7.153 4.917 -4.943 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.546 4.674 -7.267 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.499 5.103 -6.746 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.856 5.027 -8.375 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.123 2.816 -6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.772 2.867 -7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.364 2.542 -7.971 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.642 1.868 -9.580 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.691 7.638 -6.527 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.593 9.052 -6.859 1.00 0.00 C ATOM 1656 C GLN A 106 -5.136 9.488 -6.884 1.00 0.00 C ATOM 1657 O GLN A 106 -4.713 10.227 -7.773 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.381 9.897 -5.856 1.00 0.00 C ATOM 1659 CG GLN A 106 -8.879 9.643 -5.890 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.631 10.446 -4.848 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -9.037 10.974 -3.908 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -10.945 10.543 -5.009 1.00 0.00 N ATOM 0 H GLN A 106 -7.163 7.442 -5.644 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.022 9.203 -7.850 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.009 9.694 -4.852 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.195 10.952 -6.057 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.263 9.890 -6.880 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.067 8.581 -5.730 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.396 10.089 -5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.503 11.071 -4.339 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.366 9.008 -5.912 1.00 0.00 N ATOM 1672 CA ILE A 107 -2.950 9.334 -5.836 1.00 0.00 C ATOM 1673 C ILE A 107 -2.255 8.924 -7.129 1.00 0.00 C ATOM 1674 O ILE A 107 -1.455 9.674 -7.687 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.277 8.626 -4.643 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -2.918 9.080 -3.330 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -0.781 8.901 -4.634 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.571 8.196 -2.151 1.00 0.00 C ATOM 0 H ILE A 107 -4.700 8.394 -5.169 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.859 10.411 -5.693 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.424 7.551 -4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.602 10.101 -3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.001 9.101 -3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.323 8.393 -3.785 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.338 8.533 -5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.609 9.974 -4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.060 8.577 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -2.912 7.179 -2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.491 8.194 -2.003 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.589 7.732 -7.605 1.00 0.00 N ATOM 1691 CA ILE A 108 -2.028 7.208 -8.847 1.00 0.00 C ATOM 1692 C ILE A 108 -2.203 8.214 -9.965 1.00 0.00 C ATOM 1693 O ILE A 108 -1.257 8.576 -10.665 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.729 5.906 -9.277 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -2.947 4.977 -8.082 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -1.931 5.213 -10.365 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.727 4.811 -7.204 1.00 0.00 C ATOM 0 H ILE A 108 -3.250 7.104 -7.147 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.972 7.011 -8.662 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.710 6.162 -9.678 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.767 5.365 -7.478 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.256 3.998 -8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.438 4.294 -10.659 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.845 5.872 -11.229 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.936 4.974 -9.990 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.961 4.138 -6.379 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.910 4.393 -7.792 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.429 5.782 -6.807 1.00 0.00 H new ATOM 1709 N SER A 109 -3.437 8.647 -10.114 1.00 0.00 N ATOM 1710 CA SER A 109 -3.804 9.615 -11.142 1.00 0.00 C ATOM 1711 C SER A 109 -2.935 10.866 -11.059 1.00 0.00 C ATOM 1712 O SER A 109 -2.679 11.525 -12.066 1.00 0.00 O ATOM 1713 CB SER A 109 -5.279 9.995 -11.013 1.00 0.00 C ATOM 1714 OG SER A 109 -5.692 10.819 -12.091 1.00 0.00 O ATOM 0 H SER A 109 -4.217 8.343 -9.531 1.00 0.00 H new ATOM 0 HA SER A 109 -3.639 9.148 -12.113 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.889 9.092 -10.987 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.442 10.517 -10.070 1.00 0.00 H new ATOM 0 HG SER A 109 -6.639 11.046 -11.985 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.490 11.185 -9.853 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.652 12.357 -9.637 1.00 0.00 C ATOM 1722 C ARG A 110 -0.252 12.136 -10.189 1.00 0.00 C ATOM 1723 O ARG A 110 0.369 13.051 -10.728 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.583 12.703 -8.148 1.00 0.00 C ATOM 1725 CG ARG A 110 -2.935 13.021 -7.532 1.00 0.00 C ATOM 1726 CD ARG A 110 -2.798 13.457 -6.083 1.00 0.00 C ATOM 1727 NE ARG A 110 -4.094 13.566 -5.419 1.00 0.00 N ATOM 1728 CZ ARG A 110 -4.247 13.902 -4.140 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -3.187 14.163 -3.385 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -5.462 13.977 -3.615 1.00 0.00 N ATOM 0 H ARG A 110 -2.694 10.650 -9.009 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.103 13.193 -10.171 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.136 11.867 -7.610 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.922 13.559 -8.013 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.421 13.810 -8.106 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.578 12.143 -7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.175 12.741 -5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.287 14.419 -6.041 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.932 13.373 -5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.250 14.107 -3.784 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.309 14.420 -2.406 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.280 13.777 -4.191 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.579 14.234 -2.635 1.00 0.00 H new ATOM 1744 N TYR A 111 0.234 10.912 -10.057 1.00 0.00 N ATOM 1745 CA TYR A 111 1.560 10.560 -10.548 1.00 0.00 C ATOM 1746 C TYR A 111 1.554 10.441 -12.065 1.00 0.00 C ATOM 1747 O TYR A 111 2.558 10.709 -12.726 1.00 0.00 O ATOM 1748 CB TYR A 111 2.034 9.249 -9.918 1.00 0.00 C ATOM 1749 CG TYR A 111 2.544 9.408 -8.504 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.804 9.939 -8.256 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.765 9.029 -7.417 1.00 0.00 C ATOM 1752 CE1 TYR A 111 4.273 10.086 -6.965 1.00 0.00 C ATOM 1753 CE2 TYR A 111 2.229 9.174 -6.123 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.482 9.703 -5.903 1.00 0.00 C ATOM 1755 OH TYR A 111 3.946 9.849 -4.615 1.00 0.00 O ATOM 0 H TYR A 111 -0.269 10.144 -9.614 1.00 0.00 H new ATOM 0 HA TYR A 111 2.251 11.354 -10.264 1.00 0.00 H new ATOM 0 HB2 TYR A 111 1.210 8.536 -9.920 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.825 8.824 -10.535 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.426 10.241 -9.085 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.782 8.615 -7.586 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.255 10.499 -6.788 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.612 8.874 -5.289 1.00 0.00 H new ATOM 0 HH TYR A 111 3.266 9.532 -3.984 1.00 0.00 H new ATOM 1765 N LYS A 112 0.412 10.044 -12.607 1.00 0.00 N ATOM 1766 CA LYS A 112 0.256 9.891 -14.044 1.00 0.00 C ATOM 1767 C LYS A 112 0.108 11.250 -14.721 1.00 0.00 C ATOM 1768 O LYS A 112 0.521 11.431 -15.866 1.00 0.00 O ATOM 1769 CB LYS A 112 -0.959 9.015 -14.355 1.00 0.00 C ATOM 1770 CG LYS A 112 -0.763 7.553 -13.990 1.00 0.00 C ATOM 1771 CD LYS A 112 -2.074 6.896 -13.591 1.00 0.00 C ATOM 1772 CE LYS A 112 -3.061 6.871 -14.747 1.00 0.00 C ATOM 1773 NZ LYS A 112 -2.635 5.934 -15.822 1.00 0.00 N ATOM 0 H LYS A 112 -0.425 9.821 -12.068 1.00 0.00 H new ATOM 0 HA LYS A 112 1.151 9.407 -14.434 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.824 9.403 -13.816 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.187 9.088 -15.418 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.331 7.020 -14.837 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.051 7.475 -13.168 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.883 5.878 -13.252 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.511 7.435 -12.750 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -4.044 6.578 -14.378 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -3.162 7.875 -15.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -3.389 5.857 -16.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.769 6.293 -16.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -2.449 4.997 -15.412 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.483 12.202 -14.004 1.00 0.00 N ATOM 1788 CA ASP A 113 -0.685 13.545 -14.536 1.00 0.00 C ATOM 1789 C ASP A 113 0.645 14.185 -14.920 1.00 0.00 C ATOM 1790 O ASP A 113 0.736 14.902 -15.915 1.00 0.00 O ATOM 1791 CB ASP A 113 -1.407 14.419 -13.510 1.00 0.00 C ATOM 1792 CG ASP A 113 -1.809 15.766 -14.078 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -2.877 15.844 -14.723 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -1.057 16.743 -13.877 1.00 0.00 O ATOM 0 H ASP A 113 -0.830 12.068 -13.054 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.300 13.464 -15.432 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.296 13.898 -13.154 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.760 14.571 -12.646 1.00 0.00 H new ATOM 1799 N ALA A 114 1.675 13.920 -14.122 1.00 0.00 N ATOM 1800 CA ALA A 114 3.000 14.470 -14.378 1.00 0.00 C ATOM 1801 C ALA A 114 3.542 13.996 -15.721 1.00 0.00 C ATOM 1802 O ALA A 114 4.272 14.720 -16.398 1.00 0.00 O ATOM 1803 CB ALA A 114 3.955 14.087 -13.257 1.00 0.00 C ATOM 0 H ALA A 114 1.617 13.328 -13.293 1.00 0.00 H new ATOM 0 HA ALA A 114 2.914 15.556 -14.414 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.941 14.504 -13.461 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.583 14.481 -12.311 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.026 13.001 -13.195 1.00 0.00 H new ATOM 1809 N ASP A 115 3.179 12.775 -16.103 1.00 0.00 N ATOM 1810 CA ASP A 115 3.629 12.205 -17.367 1.00 0.00 C ATOM 1811 C ASP A 115 2.632 12.501 -18.483 1.00 0.00 C ATOM 1812 O ASP A 115 2.898 13.423 -19.283 1.00 0.00 O ATOM 1813 CB ASP A 115 3.821 10.694 -17.228 1.00 0.00 C ATOM 1814 CG ASP A 115 4.418 10.068 -18.474 1.00 0.00 C ATOM 1815 OD1 ASP A 115 4.905 10.822 -19.343 1.00 0.00 O ATOM 1816 OD2 ASP A 115 4.400 8.824 -18.581 1.00 0.00 O ATOM 1817 OXT ASP A 115 1.594 11.809 -18.548 1.00 0.00 O ATOM 0 H ASP A 115 2.575 12.162 -15.555 1.00 0.00 H new ATOM 0 HA ASP A 115 4.583 12.664 -17.625 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.470 10.490 -16.376 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.859 10.227 -17.015 1.00 0.00 H new TER 1822 ASP A 115