USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 716 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 38 GLN : amide:sc= -0.997 K(o=-4.5,f=-6.4!) USER MOD Set 1.2: A 43 ASN : amide:sc= -3.5! K(o=-4.5!,f=-2.3) USER MOD Set 2.1: A 27 THR OG1 : rot 142:sc= 0.441 USER MOD Set 2.2: A 31 TYR OH : rot 180:sc= 0.423 USER MOD Set 2.3: A 56 HIS : no HD1:sc= -1.45 K(o=-0.58,f=-2.4!) USER MOD Set 3.1: A 14 THR OG1 : rot 141:sc= 0.986 USER MOD Set 3.2: A 62 SER OG : rot -17:sc= 1.15 USER MOD Set 4.1: A 11 ASN : amide:sc= -2.45 K(o=-1.4,f=-2.8) USER MOD Set 4.2: A 12 HIS : no HD1:sc= -0.215 X(o=-1.4,f=-1.5) USER MOD Set 4.3: A 13 ASN : amide:sc= -0.307 K(o=-1.4,f=-5.9!) USER MOD Set 4.4: A 65 LYS NZ :NH3+ -114:sc= 1.57 (180deg=-0.77) USER MOD Set 5.1: A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00315) USER MOD Set 5.2: A 26 MET CE :methyl 147:sc= 0 (180deg=-0.559) USER MOD Single : A 1 MET N :NH3+ -173:sc= -1.67! (180deg=-1.99) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -120:sc= 0.505 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -166:sc= -3.15! (180deg=-3.28!) USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= -1.5! (180deg=-2.06!) USER MOD Single : A 18 THR OG1 : rot -170:sc=0.000679 USER MOD Single : A 20 SER OG : rot -37:sc= 0.0185 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 52:sc= 0.156 USER MOD Single : A 30 THR OG1 : rot -71:sc= 0.0578! USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -44:sc= 0.25 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 152:sc= 0.014 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.504 USER MOD Single : A 58 MET CE :methyl 168:sc= -0.0137 (180deg=-0.203) USER MOD Single : A 67 ASN : amide:sc= -0.0282 K(o=-0.028,f=-2!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -115:sc= 0.173 (180deg=-2.55!) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HE2:sc= -0.386 K(o=-0.39,f=-1.5) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 90 HIS : no HD1:sc=-0.00504 X(o=-0.005,f=-0.27) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.359 1.652 -3.003 1.00 0.00 N ATOM 2 CA MET A 1 10.881 1.649 -2.904 1.00 0.00 C ATOM 3 C MET A 1 10.335 0.221 -2.748 1.00 0.00 C ATOM 4 O MET A 1 9.121 0.032 -2.645 1.00 0.00 O ATOM 5 CB MET A 1 10.275 2.363 -4.147 1.00 0.00 C ATOM 6 CG MET A 1 10.714 3.830 -4.291 1.00 0.00 C ATOM 7 SD MET A 1 10.122 4.609 -5.810 1.00 0.00 S ATOM 8 CE MET A 1 10.892 6.230 -5.707 1.00 0.00 C ATOM 0 H1 MET A 1 12.706 2.632 -2.988 1.00 0.00 H new ATOM 0 H2 MET A 1 12.762 1.130 -2.199 1.00 0.00 H new ATOM 0 H3 MET A 1 12.648 1.196 -3.892 1.00 0.00 H new ATOM 0 HA MET A 1 10.585 2.197 -2.010 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.563 1.817 -5.045 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.188 2.323 -4.084 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.349 4.397 -3.434 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.803 3.880 -4.266 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.586 6.833 -6.562 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.582 6.722 -4.785 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.976 6.119 -5.711 1.00 0.00 H new ATOM 20 N LYS A 2 11.239 -0.778 -2.665 1.00 0.00 N ATOM 21 CA LYS A 2 10.867 -2.219 -2.644 1.00 0.00 C ATOM 22 C LYS A 2 10.604 -2.738 -1.206 1.00 0.00 C ATOM 23 O LYS A 2 10.923 -3.888 -0.899 1.00 0.00 O ATOM 24 CB LYS A 2 12.002 -3.039 -3.329 1.00 0.00 C ATOM 25 CG LYS A 2 13.381 -2.907 -2.635 1.00 0.00 C ATOM 26 CD LYS A 2 14.440 -3.898 -3.164 1.00 0.00 C ATOM 27 CE LYS A 2 15.791 -3.747 -2.435 1.00 0.00 C ATOM 28 NZ LYS A 2 16.766 -4.794 -2.830 1.00 0.00 N ATOM 0 H LYS A 2 12.244 -0.615 -2.611 1.00 0.00 H new ATOM 0 HA LYS A 2 9.933 -2.343 -3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.716 -4.091 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.096 -2.715 -4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.749 -1.890 -2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.255 -3.062 -1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.075 -4.918 -3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.585 -3.737 -4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.210 -2.764 -2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.627 -3.794 -1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.658 -4.651 -2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.380 -5.732 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.944 -4.734 -3.853 1.00 0.00 H new ATOM 42 N ILE A 3 9.918 -1.908 -0.387 1.00 0.00 N ATOM 43 CA ILE A 3 9.578 -2.210 1.022 1.00 0.00 C ATOM 44 C ILE A 3 10.832 -2.598 1.855 1.00 0.00 C ATOM 45 O ILE A 3 11.338 -3.719 1.767 1.00 0.00 O ATOM 46 CB ILE A 3 8.472 -3.327 1.139 1.00 0.00 C ATOM 47 CG1 ILE A 3 7.221 -2.957 0.276 1.00 0.00 C ATOM 48 CG2 ILE A 3 8.083 -3.580 2.622 1.00 0.00 C ATOM 49 CD1 ILE A 3 6.088 -3.967 0.311 1.00 0.00 C ATOM 0 H ILE A 3 9.580 -0.995 -0.692 1.00 0.00 H new ATOM 0 HA ILE A 3 9.170 -1.289 1.439 1.00 0.00 H new ATOM 0 HB ILE A 3 8.886 -4.257 0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.838 -1.994 0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.539 -2.828 -0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.318 -4.355 2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.963 -3.903 3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.695 -2.660 3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.270 -3.618 -0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.446 -4.928 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.734 -4.081 1.336 1.00 0.00 H new ATOM 61 N ILE A 4 11.310 -1.658 2.666 1.00 0.00 N ATOM 62 CA ILE A 4 12.489 -1.846 3.529 1.00 0.00 C ATOM 63 C ILE A 4 12.101 -2.559 4.826 1.00 0.00 C ATOM 64 O ILE A 4 12.732 -3.554 5.204 1.00 0.00 O ATOM 65 CB ILE A 4 13.163 -0.452 3.840 1.00 0.00 C ATOM 66 CG1 ILE A 4 13.802 0.133 2.552 1.00 0.00 C ATOM 67 CG2 ILE A 4 14.197 -0.511 4.999 1.00 0.00 C ATOM 68 CD1 ILE A 4 14.923 -0.709 1.954 1.00 0.00 C ATOM 0 H ILE A 4 10.890 -0.732 2.749 1.00 0.00 H new ATOM 0 HA ILE A 4 13.210 -2.471 3.002 1.00 0.00 H new ATOM 0 HB ILE A 4 12.369 0.212 4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 4 13.022 0.259 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 4 14.192 1.126 2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 4 14.621 0.480 5.159 1.00 0.00 H new ATOM 0 HG22 ILE A 4 13.703 -0.846 5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 4 14.993 -1.209 4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 4 15.307 -0.221 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 4 15.727 -0.815 2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 4 14.538 -1.695 1.693 1.00 0.00 H new ATOM 80 N SER A 5 11.051 -2.061 5.488 1.00 0.00 N ATOM 81 CA SER A 5 10.648 -2.570 6.798 1.00 0.00 C ATOM 82 C SER A 5 9.132 -2.437 6.985 1.00 0.00 C ATOM 83 O SER A 5 8.501 -1.510 6.446 1.00 0.00 O ATOM 84 CB SER A 5 11.424 -1.828 7.909 1.00 0.00 C ATOM 85 OG SER A 5 11.331 -2.512 9.143 1.00 0.00 O ATOM 0 H SER A 5 10.465 -1.304 5.135 1.00 0.00 H new ATOM 0 HA SER A 5 10.892 -3.630 6.862 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.471 -1.731 7.622 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.029 -0.818 8.020 1.00 0.00 H new ATOM 0 HG SER A 5 11.832 -2.022 9.827 1.00 0.00 H new ATOM 91 N ILE A 6 8.563 -3.386 7.742 1.00 0.00 N ATOM 92 CA ILE A 6 7.117 -3.485 7.978 1.00 0.00 C ATOM 93 C ILE A 6 6.739 -2.800 9.307 1.00 0.00 C ATOM 94 O ILE A 6 7.052 -3.303 10.389 1.00 0.00 O ATOM 95 CB ILE A 6 6.659 -4.994 7.968 1.00 0.00 C ATOM 96 CG1 ILE A 6 6.897 -5.640 6.562 1.00 0.00 C ATOM 97 CG2 ILE A 6 5.181 -5.169 8.406 1.00 0.00 C ATOM 98 CD1 ILE A 6 6.049 -5.072 5.424 1.00 0.00 C ATOM 0 H ILE A 6 9.101 -4.114 8.212 1.00 0.00 H new ATOM 0 HA ILE A 6 6.596 -2.968 7.172 1.00 0.00 H new ATOM 0 HB ILE A 6 7.274 -5.514 8.703 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.949 -5.523 6.301 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.704 -6.710 6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.917 -6.226 8.381 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.054 -4.787 9.419 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.532 -4.617 7.726 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.292 -5.589 4.496 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.993 -5.214 5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.257 -4.008 5.312 1.00 0.00 H new ATOM 110 N SER A 7 6.101 -1.627 9.165 1.00 0.00 N ATOM 111 CA SER A 7 5.425 -0.870 10.236 1.00 0.00 C ATOM 112 C SER A 7 6.351 -0.296 11.333 1.00 0.00 C ATOM 113 O SER A 7 7.305 -0.931 11.789 1.00 0.00 O ATOM 114 CB SER A 7 4.309 -1.710 10.874 1.00 0.00 C ATOM 115 OG SER A 7 3.461 -0.911 11.672 1.00 0.00 O ATOM 0 H SER A 7 6.038 -1.158 8.261 1.00 0.00 H new ATOM 0 HA SER A 7 5.007 0.001 9.731 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.725 -2.197 10.093 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.748 -2.500 11.483 1.00 0.00 H new ATOM 0 HG SER A 7 3.479 -1.237 12.596 1.00 0.00 H new ATOM 121 N GLU A 8 6.022 0.935 11.752 1.00 0.00 N ATOM 122 CA GLU A 8 6.589 1.604 12.941 1.00 0.00 C ATOM 123 C GLU A 8 5.493 1.839 14.006 1.00 0.00 C ATOM 124 O GLU A 8 5.763 2.265 15.137 1.00 0.00 O ATOM 125 CB GLU A 8 7.217 2.956 12.526 1.00 0.00 C ATOM 126 CG GLU A 8 8.664 2.894 11.987 1.00 0.00 C ATOM 127 CD GLU A 8 9.700 2.495 13.055 1.00 0.00 C ATOM 128 OE1 GLU A 8 10.086 3.362 13.868 1.00 0.00 O ATOM 129 OE2 GLU A 8 10.146 1.330 13.072 1.00 0.00 O ATOM 0 H GLU A 8 5.337 1.511 11.263 1.00 0.00 H new ATOM 0 HA GLU A 8 7.358 0.962 13.371 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.585 3.408 11.762 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.200 3.622 13.389 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.707 2.179 11.165 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.933 3.868 11.577 1.00 0.00 H new ATOM 136 N THR A 9 4.280 1.541 13.600 1.00 0.00 N ATOM 137 CA THR A 9 3.051 1.775 14.359 1.00 0.00 C ATOM 138 C THR A 9 2.545 0.428 14.924 1.00 0.00 C ATOM 139 O THR A 9 2.441 -0.538 14.166 1.00 0.00 O ATOM 140 CB THR A 9 1.967 2.401 13.406 1.00 0.00 C ATOM 141 OG1 THR A 9 2.563 3.457 12.619 1.00 0.00 O ATOM 142 CG2 THR A 9 0.766 2.970 14.184 1.00 0.00 C ATOM 0 H THR A 9 4.104 1.109 12.693 1.00 0.00 H new ATOM 0 HA THR A 9 3.243 2.463 15.183 1.00 0.00 H new ATOM 0 HB THR A 9 1.601 1.602 12.761 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.886 3.844 12.025 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.045 3.391 13.483 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.293 2.172 14.757 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.109 3.750 14.864 1.00 0.00 H new ATOM 150 N PRO A 10 2.225 0.320 16.252 1.00 0.00 N ATOM 151 CA PRO A 10 1.692 -0.940 16.838 1.00 0.00 C ATOM 152 C PRO A 10 0.231 -1.238 16.409 1.00 0.00 C ATOM 153 O PRO A 10 -0.319 -2.292 16.756 1.00 0.00 O ATOM 154 CB PRO A 10 1.805 -0.690 18.363 1.00 0.00 C ATOM 155 CG PRO A 10 1.683 0.798 18.505 1.00 0.00 C ATOM 156 CD PRO A 10 2.373 1.382 17.284 1.00 0.00 C ATOM 0 HA PRO A 10 2.242 -1.818 16.500 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.017 -1.208 18.910 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.756 -1.050 18.756 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.638 1.103 18.548 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.154 1.144 19.425 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.906 2.315 16.968 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.422 1.602 17.484 1.00 0.00 H new ATOM 164 N ASN A 11 -0.377 -0.292 15.664 1.00 0.00 N ATOM 165 CA ASN A 11 -1.732 -0.439 15.113 1.00 0.00 C ATOM 166 C ASN A 11 -1.687 -1.336 13.861 1.00 0.00 C ATOM 167 O ASN A 11 -0.989 -1.025 12.895 1.00 0.00 O ATOM 168 CB ASN A 11 -2.333 0.955 14.770 1.00 0.00 C ATOM 169 CG ASN A 11 -3.745 0.900 14.182 1.00 0.00 C ATOM 170 OD1 ASN A 11 -4.529 0.002 14.492 1.00 0.00 O ATOM 171 ND2 ASN A 11 -4.073 1.857 13.323 1.00 0.00 N ATOM 0 H ASN A 11 0.063 0.598 15.429 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.373 -0.908 15.860 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.351 1.563 15.674 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.675 1.458 14.061 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.000 1.864 12.897 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.398 2.585 13.089 1.00 0.00 H new ATOM 178 N HIS A 12 -2.439 -2.452 13.909 1.00 0.00 N ATOM 179 CA HIS A 12 -2.485 -3.455 12.824 1.00 0.00 C ATOM 180 C HIS A 12 -3.311 -2.963 11.615 1.00 0.00 C ATOM 181 O HIS A 12 -3.209 -3.530 10.524 1.00 0.00 O ATOM 182 CB HIS A 12 -3.058 -4.798 13.361 1.00 0.00 C ATOM 183 CG HIS A 12 -4.458 -4.717 13.914 1.00 0.00 C ATOM 184 ND1 HIS A 12 -4.738 -4.656 15.259 1.00 0.00 N ATOM 185 CD2 HIS A 12 -5.655 -4.673 13.292 1.00 0.00 C ATOM 186 CE1 HIS A 12 -6.042 -4.571 15.434 1.00 0.00 C ATOM 187 NE2 HIS A 12 -6.619 -4.580 14.254 1.00 0.00 N ATOM 0 H HIS A 12 -3.034 -2.686 14.704 1.00 0.00 H new ATOM 0 HA HIS A 12 -1.464 -3.612 12.477 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.044 -5.530 12.554 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -2.396 -5.172 14.142 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.820 -4.706 12.225 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.549 -4.505 16.385 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.623 -4.526 14.084 1.00 0.00 H new ATOM 196 N ASN A 13 -4.164 -1.937 11.838 1.00 0.00 N ATOM 197 CA ASN A 13 -5.034 -1.370 10.785 1.00 0.00 C ATOM 198 C ASN A 13 -4.162 -0.728 9.708 1.00 0.00 C ATOM 199 O ASN A 13 -4.224 -1.109 8.549 1.00 0.00 O ATOM 200 CB ASN A 13 -6.020 -0.317 11.355 1.00 0.00 C ATOM 201 CG ASN A 13 -6.907 -0.839 12.489 1.00 0.00 C ATOM 202 OD1 ASN A 13 -6.539 -1.748 13.229 1.00 0.00 O ATOM 203 ND2 ASN A 13 -8.070 -0.237 12.657 1.00 0.00 N ATOM 0 H ASN A 13 -4.268 -1.483 12.745 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.627 -2.181 10.361 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.451 0.539 11.718 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.657 0.043 10.547 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.688 -0.524 13.416 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.351 0.515 12.028 1.00 0.00 H new ATOM 210 N THR A 14 -3.307 0.222 10.122 1.00 0.00 N ATOM 211 CA THR A 14 -2.409 0.929 9.205 1.00 0.00 C ATOM 212 C THR A 14 -0.938 0.620 9.534 1.00 0.00 C ATOM 213 O THR A 14 -0.509 0.740 10.689 1.00 0.00 O ATOM 214 CB THR A 14 -2.686 2.472 9.194 1.00 0.00 C ATOM 215 OG1 THR A 14 -1.850 3.097 8.222 1.00 0.00 O ATOM 216 CG2 THR A 14 -2.486 3.142 10.568 1.00 0.00 C ATOM 0 H THR A 14 -3.222 0.517 11.095 1.00 0.00 H new ATOM 0 HA THR A 14 -2.610 0.565 8.198 1.00 0.00 H new ATOM 0 HB THR A 14 -3.737 2.603 8.939 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.353 3.801 7.762 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.695 4.209 10.486 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.165 2.694 11.294 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.457 2.998 10.897 1.00 0.00 H new ATOM 224 N MET A 15 -0.179 0.173 8.511 1.00 0.00 N ATOM 225 CA MET A 15 1.265 -0.100 8.647 1.00 0.00 C ATOM 226 C MET A 15 2.091 0.925 7.860 1.00 0.00 C ATOM 227 O MET A 15 1.774 1.259 6.707 1.00 0.00 O ATOM 228 CB MET A 15 1.635 -1.528 8.176 1.00 0.00 C ATOM 229 CG MET A 15 1.059 -2.663 9.037 1.00 0.00 C ATOM 230 SD MET A 15 1.851 -4.256 8.707 1.00 0.00 S ATOM 231 CE MET A 15 1.879 -4.308 6.915 1.00 0.00 C ATOM 0 H MET A 15 -0.547 -0.007 7.577 1.00 0.00 H new ATOM 0 HA MET A 15 1.499 -0.020 9.708 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.289 -1.658 7.151 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.721 -1.619 8.160 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.180 -2.412 10.091 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.012 -2.748 8.851 1.00 0.00 H new ATOM 0 HE1 MET A 15 2.105 -5.322 6.584 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.905 -4.008 6.527 1.00 0.00 H new ATOM 0 HE3 MET A 15 2.643 -3.626 6.543 1.00 0.00 H new ATOM 241 N LYS A 16 3.160 1.385 8.514 1.00 0.00 N ATOM 242 CA LYS A 16 4.177 2.279 7.946 1.00 0.00 C ATOM 243 C LYS A 16 5.131 1.431 7.086 1.00 0.00 C ATOM 244 O LYS A 16 6.047 0.796 7.619 1.00 0.00 O ATOM 245 CB LYS A 16 4.895 2.997 9.149 1.00 0.00 C ATOM 246 CG LYS A 16 6.011 4.045 8.844 1.00 0.00 C ATOM 247 CD LYS A 16 7.409 3.429 8.590 1.00 0.00 C ATOM 248 CE LYS A 16 8.572 4.452 8.646 1.00 0.00 C ATOM 249 NZ LYS A 16 8.568 5.430 7.524 1.00 0.00 N ATOM 0 H LYS A 16 3.350 1.139 9.485 1.00 0.00 H new ATOM 0 HA LYS A 16 3.758 3.049 7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.127 3.496 9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.333 2.224 9.781 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.718 4.626 7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.079 4.740 9.681 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.590 2.649 9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.410 2.948 7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.520 4.996 9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.519 3.912 8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.251 6.189 7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.833 4.947 6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.617 5.838 7.423 1.00 0.00 H new ATOM 263 N ILE A 17 4.872 1.352 5.768 1.00 0.00 N ATOM 264 CA ILE A 17 5.769 0.634 4.850 1.00 0.00 C ATOM 265 C ILE A 17 6.983 1.525 4.569 1.00 0.00 C ATOM 266 O ILE A 17 6.922 2.450 3.744 1.00 0.00 O ATOM 267 CB ILE A 17 5.042 0.201 3.519 1.00 0.00 C ATOM 268 CG1 ILE A 17 3.944 -0.867 3.833 1.00 0.00 C ATOM 269 CG2 ILE A 17 6.043 -0.320 2.457 1.00 0.00 C ATOM 270 CD1 ILE A 17 3.175 -1.389 2.624 1.00 0.00 C ATOM 0 H ILE A 17 4.058 1.772 5.320 1.00 0.00 H new ATOM 0 HA ILE A 17 6.094 -0.294 5.320 1.00 0.00 H new ATOM 0 HB ILE A 17 4.563 1.083 3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.416 -1.712 4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.232 -0.436 4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.501 -0.608 1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.758 0.466 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.575 -1.185 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.439 -2.123 2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.667 -0.560 2.131 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.869 -1.857 1.926 1.00 0.00 H new ATOM 282 N THR A 18 8.052 1.265 5.333 1.00 0.00 N ATOM 283 CA THR A 18 9.295 2.035 5.293 1.00 0.00 C ATOM 284 C THR A 18 9.962 1.927 3.920 1.00 0.00 C ATOM 285 O THR A 18 10.103 0.827 3.394 1.00 0.00 O ATOM 286 CB THR A 18 10.284 1.518 6.386 1.00 0.00 C ATOM 287 OG1 THR A 18 9.585 1.361 7.634 1.00 0.00 O ATOM 288 CG2 THR A 18 11.467 2.476 6.592 1.00 0.00 C ATOM 0 H THR A 18 8.074 0.500 6.007 1.00 0.00 H new ATOM 0 HA THR A 18 9.048 3.079 5.485 1.00 0.00 H new ATOM 0 HB THR A 18 10.679 0.561 6.045 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.231 1.191 8.351 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.129 2.077 7.361 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.018 2.580 5.657 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.095 3.452 6.905 1.00 0.00 H new ATOM 296 N LEU A 19 10.333 3.067 3.326 1.00 0.00 N ATOM 297 CA LEU A 19 11.123 3.113 2.088 1.00 0.00 C ATOM 298 C LEU A 19 12.478 3.778 2.387 1.00 0.00 C ATOM 299 O LEU A 19 12.572 4.649 3.264 1.00 0.00 O ATOM 300 CB LEU A 19 10.355 3.869 0.970 1.00 0.00 C ATOM 301 CG LEU A 19 8.930 3.314 0.604 1.00 0.00 C ATOM 302 CD1 LEU A 19 8.342 4.045 -0.616 1.00 0.00 C ATOM 303 CD2 LEU A 19 8.935 1.785 0.372 1.00 0.00 C ATOM 0 H LEU A 19 10.093 3.989 3.692 1.00 0.00 H new ATOM 0 HA LEU A 19 11.296 2.099 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.249 4.911 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.967 3.860 0.068 1.00 0.00 H new ATOM 0 HG LEU A 19 8.291 3.509 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.357 3.638 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.253 5.109 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.999 3.906 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.928 1.452 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.611 1.544 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.270 1.281 1.278 1.00 0.00 H new ATOM 315 N SER A 20 13.523 3.365 1.646 1.00 0.00 N ATOM 316 CA SER A 20 14.903 3.862 1.848 1.00 0.00 C ATOM 317 C SER A 20 15.052 5.285 1.284 1.00 0.00 C ATOM 318 O SER A 20 16.030 5.983 1.564 1.00 0.00 O ATOM 319 CB SER A 20 15.912 2.900 1.177 1.00 0.00 C ATOM 320 OG SER A 20 17.257 3.211 1.513 1.00 0.00 O ATOM 0 H SER A 20 13.439 2.681 0.894 1.00 0.00 H new ATOM 0 HA SER A 20 15.112 3.899 2.917 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.691 1.876 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.790 2.946 0.095 1.00 0.00 H new ATOM 0 HG SER A 20 17.364 4.184 1.566 1.00 0.00 H new ATOM 326 N GLU A 21 14.055 5.697 0.483 1.00 0.00 N ATOM 327 CA GLU A 21 14.023 6.986 -0.205 1.00 0.00 C ATOM 328 C GLU A 21 13.294 8.000 0.684 1.00 0.00 C ATOM 329 O GLU A 21 12.207 8.499 0.351 1.00 0.00 O ATOM 330 CB GLU A 21 13.335 6.841 -1.598 1.00 0.00 C ATOM 331 CG GLU A 21 13.962 5.789 -2.558 1.00 0.00 C ATOM 332 CD GLU A 21 13.850 4.323 -2.079 1.00 0.00 C ATOM 333 OE1 GLU A 21 12.808 3.950 -1.486 1.00 0.00 O ATOM 334 OE2 GLU A 21 14.775 3.518 -2.314 1.00 0.00 O ATOM 0 H GLU A 21 13.232 5.124 0.296 1.00 0.00 H new ATOM 0 HA GLU A 21 15.038 7.342 -0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.288 6.582 -1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.352 7.812 -2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.481 5.875 -3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 21 15.015 6.030 -2.700 1.00 0.00 H new ATOM 341 N SER A 22 13.901 8.248 1.856 1.00 0.00 N ATOM 342 CA SER A 22 13.424 9.230 2.823 1.00 0.00 C ATOM 343 C SER A 22 13.829 10.647 2.365 1.00 0.00 C ATOM 344 O SER A 22 14.357 10.803 1.252 1.00 0.00 O ATOM 345 CB SER A 22 13.998 8.867 4.210 1.00 0.00 C ATOM 346 OG SER A 22 13.663 7.535 4.570 1.00 0.00 O ATOM 0 H SER A 22 14.747 7.762 2.155 1.00 0.00 H new ATOM 0 HA SER A 22 12.336 9.219 2.893 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.082 8.982 4.200 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.611 9.558 4.959 1.00 0.00 H new ATOM 0 HG SER A 22 14.040 7.330 5.451 1.00 0.00 H new ATOM 352 N ARG A 23 13.589 11.664 3.230 1.00 0.00 N ATOM 353 CA ARG A 23 13.753 13.108 2.903 1.00 0.00 C ATOM 354 C ARG A 23 12.626 13.577 1.952 1.00 0.00 C ATOM 355 O ARG A 23 11.849 12.756 1.452 1.00 0.00 O ATOM 356 CB ARG A 23 15.141 13.448 2.267 1.00 0.00 C ATOM 357 CG ARG A 23 16.377 13.043 3.092 1.00 0.00 C ATOM 358 CD ARG A 23 17.685 13.254 2.319 1.00 0.00 C ATOM 359 NE ARG A 23 18.878 12.946 3.129 1.00 0.00 N ATOM 360 CZ ARG A 23 20.149 13.037 2.710 1.00 0.00 C ATOM 361 NH1 ARG A 23 20.433 13.405 1.463 1.00 0.00 N ATOM 362 NH2 ARG A 23 21.142 12.744 3.535 1.00 0.00 N ATOM 0 H ARG A 23 13.272 11.505 4.186 1.00 0.00 H new ATOM 0 HA ARG A 23 13.695 13.640 3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 23 15.202 12.961 1.294 1.00 0.00 H new ATOM 0 HB3 ARG A 23 15.184 14.522 2.088 1.00 0.00 H new ATOM 0 HG2 ARG A 23 16.403 13.625 4.013 1.00 0.00 H new ATOM 0 HG3 ARG A 23 16.292 11.995 3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 23 17.682 12.625 1.429 1.00 0.00 H new ATOM 0 HD3 ARG A 23 17.739 14.288 1.978 1.00 0.00 H new ATOM 0 HE ARG A 23 18.724 12.638 4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 23 19.679 13.622 0.811 1.00 0.00 H new ATOM 0 HH12 ARG A 23 21.405 13.470 1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 23 20.941 12.449 4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 23 22.108 12.814 3.215 1.00 0.00 H new ATOM 376 N GLU A 24 12.566 14.908 1.724 1.00 0.00 N ATOM 377 CA GLU A 24 11.671 15.569 0.749 1.00 0.00 C ATOM 378 C GLU A 24 10.193 15.476 1.169 1.00 0.00 C ATOM 379 O GLU A 24 9.621 16.455 1.657 1.00 0.00 O ATOM 380 CB GLU A 24 11.891 15.026 -0.696 1.00 0.00 C ATOM 381 CG GLU A 24 11.059 15.719 -1.789 1.00 0.00 C ATOM 382 CD GLU A 24 11.273 15.092 -3.174 1.00 0.00 C ATOM 383 OE1 GLU A 24 10.616 14.068 -3.478 1.00 0.00 O ATOM 384 OE2 GLU A 24 12.105 15.604 -3.951 1.00 0.00 O ATOM 0 H GLU A 24 13.156 15.570 2.228 1.00 0.00 H new ATOM 0 HA GLU A 24 11.936 16.626 0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.947 15.125 -0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.660 13.961 -0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.002 15.663 -1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.323 16.776 -1.827 1.00 0.00 H new ATOM 391 N GLY A 25 9.594 14.291 0.989 1.00 0.00 N ATOM 392 CA GLY A 25 8.175 14.062 1.251 1.00 0.00 C ATOM 393 C GLY A 25 7.669 12.791 0.582 1.00 0.00 C ATOM 394 O GLY A 25 6.695 12.195 1.055 1.00 0.00 O ATOM 0 H GLY A 25 10.087 13.463 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.011 13.995 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.598 14.915 0.893 1.00 0.00 H new ATOM 398 N MET A 26 8.369 12.393 -0.515 1.00 0.00 N ATOM 399 CA MET A 26 8.058 11.211 -1.355 1.00 0.00 C ATOM 400 C MET A 26 6.534 11.074 -1.598 1.00 0.00 C ATOM 401 O MET A 26 5.884 10.157 -1.089 1.00 0.00 O ATOM 402 CB MET A 26 8.714 9.936 -0.746 1.00 0.00 C ATOM 403 CG MET A 26 8.566 8.651 -1.581 1.00 0.00 C ATOM 404 SD MET A 26 9.107 8.833 -3.300 1.00 0.00 S ATOM 405 CE MET A 26 10.851 9.206 -3.109 1.00 0.00 C ATOM 0 H MET A 26 9.188 12.903 -0.846 1.00 0.00 H new ATOM 0 HA MET A 26 8.494 11.347 -2.345 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.776 10.131 -0.597 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.281 9.761 0.239 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.142 7.854 -1.111 1.00 0.00 H new ATOM 0 HG3 MET A 26 7.522 8.339 -1.569 1.00 0.00 H new ATOM 0 HE1 MET A 26 11.407 8.785 -3.947 1.00 0.00 H new ATOM 0 HE2 MET A 26 10.992 10.287 -3.086 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.216 8.773 -2.178 1.00 0.00 H new ATOM 415 N THR A 27 6.000 12.064 -2.344 1.00 0.00 N ATOM 416 CA THR A 27 4.553 12.290 -2.586 1.00 0.00 C ATOM 417 C THR A 27 3.709 12.254 -1.281 1.00 0.00 C ATOM 418 O THR A 27 3.364 11.180 -0.767 1.00 0.00 O ATOM 419 CB THR A 27 3.942 11.317 -3.654 1.00 0.00 C ATOM 420 OG1 THR A 27 4.089 9.945 -3.238 1.00 0.00 O ATOM 421 CG2 THR A 27 4.580 11.500 -5.043 1.00 0.00 C ATOM 0 H THR A 27 6.584 12.756 -2.814 1.00 0.00 H new ATOM 0 HA THR A 27 4.499 13.299 -2.994 1.00 0.00 H new ATOM 0 HB THR A 27 2.884 11.566 -3.733 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.286 9.440 -3.485 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.124 10.804 -5.747 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.418 12.522 -5.386 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.650 11.303 -4.981 1.00 0.00 H new ATOM 429 N SER A 28 3.367 13.442 -0.771 1.00 0.00 N ATOM 430 CA SER A 28 2.583 13.596 0.464 1.00 0.00 C ATOM 431 C SER A 28 1.080 13.590 0.109 1.00 0.00 C ATOM 432 O SER A 28 0.396 14.627 0.137 1.00 0.00 O ATOM 433 CB SER A 28 3.011 14.891 1.208 1.00 0.00 C ATOM 434 OG SER A 28 2.918 16.037 0.369 1.00 0.00 O ATOM 0 H SER A 28 3.626 14.329 -1.203 1.00 0.00 H new ATOM 0 HA SER A 28 2.772 12.764 1.142 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.381 15.031 2.086 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.035 14.784 1.565 1.00 0.00 H new ATOM 0 HG SER A 28 2.029 16.071 -0.041 1.00 0.00 H new ATOM 440 N ASP A 29 0.594 12.402 -0.283 1.00 0.00 N ATOM 441 CA ASP A 29 -0.767 12.205 -0.818 1.00 0.00 C ATOM 442 C ASP A 29 -1.568 11.203 0.009 1.00 0.00 C ATOM 443 O ASP A 29 -1.035 10.500 0.873 1.00 0.00 O ATOM 444 CB ASP A 29 -0.702 11.737 -2.303 1.00 0.00 C ATOM 445 CG ASP A 29 -0.438 12.892 -3.278 1.00 0.00 C ATOM 446 OD1 ASP A 29 -1.420 13.555 -3.691 1.00 0.00 O ATOM 447 OD2 ASP A 29 0.738 13.163 -3.625 1.00 0.00 O ATOM 0 H ASP A 29 1.139 11.541 -0.238 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.279 13.165 -0.761 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.085 10.990 -2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.641 11.251 -2.568 1.00 0.00 H new ATOM 452 N THR A 30 -2.872 11.168 -0.282 1.00 0.00 N ATOM 453 CA THR A 30 -3.824 10.243 0.324 1.00 0.00 C ATOM 454 C THR A 30 -4.558 9.511 -0.811 1.00 0.00 C ATOM 455 O THR A 30 -5.490 10.056 -1.414 1.00 0.00 O ATOM 456 CB THR A 30 -4.838 11.011 1.240 1.00 0.00 C ATOM 457 OG1 THR A 30 -4.136 11.955 2.067 1.00 0.00 O ATOM 458 CG2 THR A 30 -5.647 10.061 2.143 1.00 0.00 C ATOM 0 H THR A 30 -3.301 11.797 -0.961 1.00 0.00 H new ATOM 0 HA THR A 30 -3.301 9.525 0.955 1.00 0.00 H new ATOM 0 HB THR A 30 -5.536 11.526 0.580 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.627 11.474 2.753 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.335 10.641 2.758 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.213 9.365 1.524 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.967 9.504 2.787 1.00 0.00 H new ATOM 466 N TYR A 31 -4.081 8.305 -1.131 1.00 0.00 N ATOM 467 CA TYR A 31 -4.615 7.475 -2.215 1.00 0.00 C ATOM 468 C TYR A 31 -5.838 6.703 -1.693 1.00 0.00 C ATOM 469 O TYR A 31 -5.694 5.702 -0.982 1.00 0.00 O ATOM 470 CB TYR A 31 -3.529 6.485 -2.716 1.00 0.00 C ATOM 471 CG TYR A 31 -2.192 7.123 -3.112 1.00 0.00 C ATOM 472 CD1 TYR A 31 -1.228 7.425 -2.152 1.00 0.00 C ATOM 473 CD2 TYR A 31 -1.882 7.401 -4.440 1.00 0.00 C ATOM 474 CE1 TYR A 31 -0.022 7.978 -2.505 1.00 0.00 C ATOM 475 CE2 TYR A 31 -0.663 7.948 -4.789 1.00 0.00 C ATOM 476 CZ TYR A 31 0.261 8.237 -3.819 1.00 0.00 C ATOM 477 OH TYR A 31 1.493 8.766 -4.158 1.00 0.00 O ATOM 0 H TYR A 31 -3.301 7.871 -0.637 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.912 8.109 -3.051 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.344 5.749 -1.934 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.923 5.944 -3.576 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.433 7.220 -1.112 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.607 7.185 -5.211 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.707 8.210 -1.742 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.438 8.148 -5.826 1.00 0.00 H new ATOM 0 HH TYR A 31 1.539 8.891 -5.129 1.00 0.00 H new ATOM 487 N THR A 32 -7.035 7.223 -1.985 1.00 0.00 N ATOM 488 CA THR A 32 -8.307 6.645 -1.534 1.00 0.00 C ATOM 489 C THR A 32 -9.217 6.367 -2.739 1.00 0.00 C ATOM 490 O THR A 32 -9.499 5.214 -3.066 1.00 0.00 O ATOM 491 CB THR A 32 -9.018 7.617 -0.532 1.00 0.00 C ATOM 492 OG1 THR A 32 -9.080 8.931 -1.121 1.00 0.00 O ATOM 493 CG2 THR A 32 -8.303 7.705 0.824 1.00 0.00 C ATOM 0 H THR A 32 -7.150 8.066 -2.547 1.00 0.00 H new ATOM 0 HA THR A 32 -8.104 5.704 -1.023 1.00 0.00 H new ATOM 0 HB THR A 32 -10.016 7.220 -0.344 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.525 9.546 -0.502 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.842 8.393 1.475 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.273 6.717 1.284 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.286 8.067 0.676 1.00 0.00 H new ATOM 501 N LYS A 33 -9.621 7.444 -3.431 1.00 0.00 N ATOM 502 CA LYS A 33 -10.678 7.394 -4.463 1.00 0.00 C ATOM 503 C LYS A 33 -10.178 6.867 -5.815 1.00 0.00 C ATOM 504 O LYS A 33 -10.985 6.668 -6.725 1.00 0.00 O ATOM 505 CB LYS A 33 -11.329 8.796 -4.618 1.00 0.00 C ATOM 506 CG LYS A 33 -10.344 9.905 -5.058 1.00 0.00 C ATOM 507 CD LYS A 33 -11.005 11.294 -5.183 1.00 0.00 C ATOM 508 CE LYS A 33 -12.093 11.340 -6.267 1.00 0.00 C ATOM 509 NZ LYS A 33 -12.720 12.678 -6.380 1.00 0.00 N ATOM 0 H LYS A 33 -9.227 8.375 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.427 6.679 -4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.136 8.731 -5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.781 9.082 -3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.527 9.962 -4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.905 9.632 -6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.442 11.571 -4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.240 12.036 -5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.658 11.063 -7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.860 10.600 -6.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.447 12.659 -7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.159 12.933 -5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.994 13.382 -6.623 1.00 0.00 H new ATOM 523 N VAL A 34 -8.857 6.610 -5.902 1.00 0.00 N ATOM 524 CA VAL A 34 -8.152 6.156 -7.130 1.00 0.00 C ATOM 525 C VAL A 34 -8.227 7.255 -8.248 1.00 0.00 C ATOM 526 O VAL A 34 -9.008 8.212 -8.131 1.00 0.00 O ATOM 527 CB VAL A 34 -8.721 4.751 -7.621 1.00 0.00 C ATOM 528 CG1 VAL A 34 -7.888 4.131 -8.762 1.00 0.00 C ATOM 529 CG2 VAL A 34 -8.845 3.742 -6.446 1.00 0.00 C ATOM 0 H VAL A 34 -8.231 6.713 -5.104 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.098 6.008 -6.897 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.716 4.957 -8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.324 3.176 -9.054 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.885 4.805 -9.618 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.865 3.973 -8.421 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.236 2.795 -6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.863 3.579 -6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.523 4.143 -5.692 1.00 0.00 H new ATOM 539 N ASP A 35 -7.378 7.130 -9.294 1.00 0.00 N ATOM 540 CA ASP A 35 -7.356 8.042 -10.469 1.00 0.00 C ATOM 541 C ASP A 35 -6.926 9.466 -10.053 1.00 0.00 C ATOM 542 O ASP A 35 -7.749 10.259 -9.575 1.00 0.00 O ATOM 543 CB ASP A 35 -8.734 8.093 -11.218 1.00 0.00 C ATOM 544 CG ASP A 35 -9.181 6.750 -11.830 1.00 0.00 C ATOM 545 OD1 ASP A 35 -9.699 5.882 -11.088 1.00 0.00 O ATOM 546 OD2 ASP A 35 -9.036 6.555 -13.053 1.00 0.00 O ATOM 0 H ASP A 35 -6.681 6.387 -9.350 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.622 7.634 -11.164 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.500 8.432 -10.520 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.674 8.837 -12.012 1.00 0.00 H new ATOM 551 N ASP A 36 -5.633 9.778 -10.217 1.00 0.00 N ATOM 552 CA ASP A 36 -5.093 11.122 -9.931 1.00 0.00 C ATOM 553 C ASP A 36 -3.857 11.356 -10.804 1.00 0.00 C ATOM 554 O ASP A 36 -3.927 12.059 -11.822 1.00 0.00 O ATOM 555 CB ASP A 36 -4.761 11.284 -8.418 1.00 0.00 C ATOM 556 CG ASP A 36 -4.233 12.690 -8.056 1.00 0.00 C ATOM 557 OD1 ASP A 36 -5.058 13.606 -7.853 1.00 0.00 O ATOM 558 OD2 ASP A 36 -2.996 12.882 -7.979 1.00 0.00 O ATOM 0 H ASP A 36 -4.933 9.114 -10.549 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.846 11.873 -10.170 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.657 11.078 -7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.017 10.540 -8.135 1.00 0.00 H new ATOM 563 N SER A 37 -2.742 10.707 -10.422 1.00 0.00 N ATOM 564 CA SER A 37 -1.450 10.835 -11.115 1.00 0.00 C ATOM 565 C SER A 37 -0.507 9.709 -10.654 1.00 0.00 C ATOM 566 O SER A 37 0.719 9.807 -10.783 1.00 0.00 O ATOM 567 CB SER A 37 -0.839 12.240 -10.846 1.00 0.00 C ATOM 568 OG SER A 37 0.276 12.503 -11.684 1.00 0.00 O ATOM 0 H SER A 37 -2.713 10.077 -9.620 1.00 0.00 H new ATOM 0 HA SER A 37 -1.595 10.738 -12.191 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.601 13.003 -11.005 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.533 12.309 -9.802 1.00 0.00 H new ATOM 0 HG SER A 37 0.858 11.715 -11.712 1.00 0.00 H new ATOM 574 N GLN A 38 -1.099 8.603 -10.159 1.00 0.00 N ATOM 575 CA GLN A 38 -0.346 7.459 -9.625 1.00 0.00 C ATOM 576 C GLN A 38 -0.436 6.275 -10.607 1.00 0.00 C ATOM 577 O GLN A 38 -1.493 6.087 -11.227 1.00 0.00 O ATOM 578 CB GLN A 38 -0.843 7.062 -8.197 1.00 0.00 C ATOM 579 CG GLN A 38 -2.251 6.424 -8.069 1.00 0.00 C ATOM 580 CD GLN A 38 -3.417 7.367 -8.364 1.00 0.00 C ATOM 581 OE1 GLN A 38 -3.890 7.464 -9.495 1.00 0.00 O ATOM 582 NE2 GLN A 38 -3.880 8.081 -7.350 1.00 0.00 N ATOM 0 H GLN A 38 -2.111 8.482 -10.120 1.00 0.00 H new ATOM 0 HA GLN A 38 0.700 7.746 -9.522 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.120 6.365 -7.773 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.824 7.957 -7.576 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.311 5.573 -8.748 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.366 6.034 -7.058 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.467 7.978 -6.423 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.650 8.734 -7.496 1.00 0.00 H new ATOM 591 N PRO A 39 0.691 5.501 -10.800 1.00 0.00 N ATOM 592 CA PRO A 39 0.736 4.301 -11.687 1.00 0.00 C ATOM 593 C PRO A 39 -0.450 3.329 -11.512 1.00 0.00 C ATOM 594 O PRO A 39 -0.985 3.188 -10.409 1.00 0.00 O ATOM 595 CB PRO A 39 2.064 3.618 -11.286 1.00 0.00 C ATOM 596 CG PRO A 39 2.949 4.749 -10.858 1.00 0.00 C ATOM 597 CD PRO A 39 2.032 5.767 -10.200 1.00 0.00 C ATOM 0 HA PRO A 39 0.671 4.591 -12.736 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.915 2.902 -10.478 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.497 3.069 -12.122 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.714 4.405 -10.162 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.468 5.184 -11.712 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.014 5.644 -9.117 1.00 0.00 H new ATOM 0 HD3 PRO A 39 2.362 6.787 -10.400 1.00 0.00 H new ATOM 605 N ALA A 40 -0.830 2.659 -12.619 1.00 0.00 N ATOM 606 CA ALA A 40 -1.895 1.634 -12.640 1.00 0.00 C ATOM 607 C ALA A 40 -1.607 0.527 -11.606 1.00 0.00 C ATOM 608 O ALA A 40 -2.521 -0.017 -11.003 1.00 0.00 O ATOM 609 CB ALA A 40 -2.047 1.038 -14.056 1.00 0.00 C ATOM 0 H ALA A 40 -0.403 2.815 -13.532 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.836 2.112 -12.369 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.836 0.285 -14.051 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.306 1.830 -14.758 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.107 0.577 -14.359 1.00 0.00 H new ATOM 615 N PHE A 41 -0.304 0.254 -11.404 1.00 0.00 N ATOM 616 CA PHE A 41 0.214 -0.651 -10.355 1.00 0.00 C ATOM 617 C PHE A 41 -0.336 -0.261 -8.965 1.00 0.00 C ATOM 618 O PHE A 41 -0.853 -1.103 -8.228 1.00 0.00 O ATOM 619 CB PHE A 41 1.765 -0.593 -10.332 1.00 0.00 C ATOM 620 CG PHE A 41 2.460 -0.986 -11.635 1.00 0.00 C ATOM 621 CD1 PHE A 41 2.677 -0.042 -12.644 1.00 0.00 C ATOM 622 CD2 PHE A 41 2.910 -2.290 -11.847 1.00 0.00 C ATOM 623 CE1 PHE A 41 3.318 -0.388 -13.816 1.00 0.00 C ATOM 624 CE2 PHE A 41 3.555 -2.633 -13.019 1.00 0.00 C ATOM 625 CZ PHE A 41 3.758 -1.683 -14.003 1.00 0.00 C ATOM 0 H PHE A 41 0.435 0.664 -11.976 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.115 -1.664 -10.586 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.069 0.421 -10.070 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.123 -1.248 -9.538 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.338 0.974 -12.504 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.752 -3.040 -11.086 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.475 0.353 -14.586 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.901 -3.645 -13.167 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.261 -1.955 -14.919 1.00 0.00 H new ATOM 635 N ILE A 42 -0.238 1.044 -8.655 1.00 0.00 N ATOM 636 CA ILE A 42 -0.717 1.620 -7.390 1.00 0.00 C ATOM 637 C ILE A 42 -2.259 1.639 -7.362 1.00 0.00 C ATOM 638 O ILE A 42 -2.860 1.476 -6.299 1.00 0.00 O ATOM 639 CB ILE A 42 -0.145 3.076 -7.185 1.00 0.00 C ATOM 640 CG1 ILE A 42 1.418 3.098 -7.294 1.00 0.00 C ATOM 641 CG2 ILE A 42 -0.611 3.702 -5.841 1.00 0.00 C ATOM 642 CD1 ILE A 42 2.146 2.254 -6.262 1.00 0.00 C ATOM 0 H ILE A 42 0.179 1.732 -9.282 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.359 0.996 -6.571 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.551 3.688 -7.990 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.703 2.754 -8.288 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.759 4.129 -7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.193 4.704 -5.742 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.699 3.759 -5.824 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.267 3.082 -5.013 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.222 2.334 -6.420 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.898 2.609 -5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.841 1.212 -6.363 1.00 0.00 H new ATOM 654 N ASN A 43 -2.895 1.787 -8.555 1.00 0.00 N ATOM 655 CA ASN A 43 -4.367 1.808 -8.668 1.00 0.00 C ATOM 656 C ASN A 43 -4.915 0.420 -8.327 1.00 0.00 C ATOM 657 O ASN A 43 -5.941 0.303 -7.665 1.00 0.00 O ATOM 658 CB ASN A 43 -4.833 2.228 -10.090 1.00 0.00 C ATOM 659 CG ASN A 43 -4.645 3.710 -10.438 1.00 0.00 C ATOM 660 OD1 ASN A 43 -5.479 4.308 -11.118 1.00 0.00 O ATOM 661 ND2 ASN A 43 -3.546 4.304 -10.026 1.00 0.00 N ATOM 0 H ASN A 43 -2.408 1.893 -9.445 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.753 2.549 -7.967 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.291 1.630 -10.822 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.889 1.980 -10.195 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.371 5.279 -10.269 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.868 3.789 -9.463 1.00 0.00 H new ATOM 668 N ASP A 44 -4.177 -0.620 -8.760 1.00 0.00 N ATOM 669 CA ASP A 44 -4.519 -2.026 -8.499 1.00 0.00 C ATOM 670 C ASP A 44 -4.437 -2.318 -6.996 1.00 0.00 C ATOM 671 O ASP A 44 -5.312 -2.998 -6.465 1.00 0.00 O ATOM 672 CB ASP A 44 -3.584 -2.979 -9.287 1.00 0.00 C ATOM 673 CG ASP A 44 -3.894 -4.475 -9.053 1.00 0.00 C ATOM 674 OD1 ASP A 44 -4.816 -5.016 -9.697 1.00 0.00 O ATOM 675 OD2 ASP A 44 -3.226 -5.113 -8.208 1.00 0.00 O ATOM 0 H ASP A 44 -3.322 -0.504 -9.304 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.541 -2.200 -8.837 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.668 -2.760 -10.352 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.551 -2.781 -9.001 1.00 0.00 H new ATOM 680 N ILE A 45 -3.382 -1.780 -6.325 1.00 0.00 N ATOM 681 CA ILE A 45 -3.203 -1.916 -4.858 1.00 0.00 C ATOM 682 C ILE A 45 -4.434 -1.354 -4.128 1.00 0.00 C ATOM 683 O ILE A 45 -5.004 -2.014 -3.272 1.00 0.00 O ATOM 684 CB ILE A 45 -1.900 -1.200 -4.314 1.00 0.00 C ATOM 685 CG1 ILE A 45 -0.615 -1.725 -5.027 1.00 0.00 C ATOM 686 CG2 ILE A 45 -1.767 -1.382 -2.777 1.00 0.00 C ATOM 687 CD1 ILE A 45 0.686 -1.035 -4.604 1.00 0.00 C ATOM 0 H ILE A 45 -2.642 -1.247 -6.782 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.088 -2.981 -4.659 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.001 -0.138 -4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.521 -2.794 -4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.740 -1.605 -6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.864 -0.881 -2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.636 -0.949 -2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.707 -2.444 -2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.522 -1.467 -5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.620 0.031 -4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.842 -1.177 -3.535 1.00 0.00 H new ATOM 699 N LEU A 46 -4.864 -0.154 -4.539 1.00 0.00 N ATOM 700 CA LEU A 46 -6.058 0.512 -3.981 1.00 0.00 C ATOM 701 C LEU A 46 -7.325 -0.339 -4.202 1.00 0.00 C ATOM 702 O LEU A 46 -8.197 -0.407 -3.329 1.00 0.00 O ATOM 703 CB LEU A 46 -6.219 1.911 -4.625 1.00 0.00 C ATOM 704 CG LEU A 46 -5.029 2.885 -4.394 1.00 0.00 C ATOM 705 CD1 LEU A 46 -5.213 4.206 -5.165 1.00 0.00 C ATOM 706 CD2 LEU A 46 -4.813 3.133 -2.888 1.00 0.00 C ATOM 0 H LEU A 46 -4.397 0.386 -5.267 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.924 0.626 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.362 1.785 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.126 2.372 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.130 2.412 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.361 4.859 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.282 3.998 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.127 4.698 -4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.976 3.817 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.714 3.570 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.596 2.188 -2.391 1.00 0.00 H new ATOM 718 N LYS A 47 -7.382 -1.003 -5.371 1.00 0.00 N ATOM 719 CA LYS A 47 -8.515 -1.863 -5.768 1.00 0.00 C ATOM 720 C LYS A 47 -8.405 -3.285 -5.167 1.00 0.00 C ATOM 721 O LYS A 47 -9.355 -4.072 -5.295 1.00 0.00 O ATOM 722 CB LYS A 47 -8.629 -1.929 -7.316 1.00 0.00 C ATOM 723 CG LYS A 47 -8.942 -0.571 -7.983 1.00 0.00 C ATOM 724 CD LYS A 47 -8.971 -0.646 -9.525 1.00 0.00 C ATOM 725 CE LYS A 47 -9.173 0.732 -10.195 1.00 0.00 C ATOM 726 NZ LYS A 47 -10.484 1.357 -9.853 1.00 0.00 N ATOM 0 H LYS A 47 -6.641 -0.959 -6.071 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.423 -1.413 -5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.694 -2.315 -7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.410 -2.641 -7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.906 -0.211 -7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.194 0.159 -7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.037 -1.082 -9.879 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.773 -1.315 -9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.367 1.400 -9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.101 0.618 -11.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.564 2.278 -10.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.257 0.736 -10.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.546 1.493 -8.824 1.00 0.00 H new ATOM 740 N VAL A 48 -7.248 -3.630 -4.536 1.00 0.00 N ATOM 741 CA VAL A 48 -7.116 -4.894 -3.768 1.00 0.00 C ATOM 742 C VAL A 48 -8.060 -4.824 -2.568 1.00 0.00 C ATOM 743 O VAL A 48 -7.819 -4.038 -1.645 1.00 0.00 O ATOM 744 CB VAL A 48 -5.642 -5.192 -3.257 1.00 0.00 C ATOM 745 CG1 VAL A 48 -5.574 -6.482 -2.389 1.00 0.00 C ATOM 746 CG2 VAL A 48 -4.646 -5.299 -4.423 1.00 0.00 C ATOM 0 H VAL A 48 -6.405 -3.056 -4.545 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.371 -5.709 -4.445 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.360 -4.344 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.547 -6.647 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.219 -6.369 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.908 -7.336 -2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.649 -5.503 -4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.949 -6.109 -5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.633 -4.361 -4.978 1.00 0.00 H new ATOM 756 N GLU A 49 -9.152 -5.604 -2.624 1.00 0.00 N ATOM 757 CA GLU A 49 -10.139 -5.678 -1.541 1.00 0.00 C ATOM 758 C GLU A 49 -9.451 -6.060 -0.210 1.00 0.00 C ATOM 759 O GLU A 49 -8.990 -7.196 -0.021 1.00 0.00 O ATOM 760 CB GLU A 49 -11.286 -6.663 -1.914 1.00 0.00 C ATOM 761 CG GLU A 49 -10.825 -8.050 -2.411 1.00 0.00 C ATOM 762 CD GLU A 49 -11.994 -9.017 -2.689 1.00 0.00 C ATOM 763 OE1 GLU A 49 -12.555 -8.995 -3.809 1.00 0.00 O ATOM 764 OE2 GLU A 49 -12.356 -9.801 -1.786 1.00 0.00 O ATOM 0 H GLU A 49 -9.373 -6.200 -3.422 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.591 -4.696 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.923 -6.801 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.901 -6.203 -2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.240 -7.926 -3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.164 -8.494 -1.666 1.00 0.00 H new ATOM 771 N GLY A 50 -9.344 -5.061 0.680 1.00 0.00 N ATOM 772 CA GLY A 50 -8.603 -5.188 1.927 1.00 0.00 C ATOM 773 C GLY A 50 -7.912 -3.883 2.291 1.00 0.00 C ATOM 774 O GLY A 50 -8.022 -3.427 3.419 1.00 0.00 O ATOM 0 H GLY A 50 -9.772 -4.145 0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.282 -5.479 2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.862 -5.981 1.833 1.00 0.00 H new ATOM 778 N VAL A 51 -7.260 -3.262 1.289 1.00 0.00 N ATOM 779 CA VAL A 51 -6.367 -2.084 1.451 1.00 0.00 C ATOM 780 C VAL A 51 -7.075 -0.847 2.043 1.00 0.00 C ATOM 781 O VAL A 51 -6.485 -0.157 2.854 1.00 0.00 O ATOM 782 CB VAL A 51 -5.702 -1.727 0.063 1.00 0.00 C ATOM 783 CG1 VAL A 51 -5.019 -0.331 0.038 1.00 0.00 C ATOM 784 CG2 VAL A 51 -4.683 -2.818 -0.334 1.00 0.00 C ATOM 0 H VAL A 51 -7.337 -3.568 0.319 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.602 -2.366 2.175 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.515 -1.686 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.585 -0.156 -0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.759 0.440 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.233 -0.297 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.231 -2.562 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.906 -2.885 0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.192 -3.778 -0.418 1.00 0.00 H new ATOM 794 N LYS A 52 -8.319 -0.593 1.600 1.00 0.00 N ATOM 795 CA LYS A 52 -9.170 0.554 1.984 1.00 0.00 C ATOM 796 C LYS A 52 -8.554 1.895 1.531 1.00 0.00 C ATOM 797 O LYS A 52 -9.041 2.526 0.587 1.00 0.00 O ATOM 798 CB LYS A 52 -9.479 0.558 3.507 1.00 0.00 C ATOM 799 CG LYS A 52 -10.268 1.800 4.019 1.00 0.00 C ATOM 800 CD LYS A 52 -10.369 1.863 5.559 1.00 0.00 C ATOM 801 CE LYS A 52 -11.135 0.679 6.157 1.00 0.00 C ATOM 802 NZ LYS A 52 -11.164 0.713 7.633 1.00 0.00 N ATOM 0 H LYS A 52 -8.783 -1.209 0.933 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.119 0.437 1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.048 -0.339 3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.538 0.495 4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.783 2.706 3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.272 1.784 3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.365 1.891 5.983 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.862 2.791 5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.156 0.681 5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.674 -0.252 5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.022 0.234 7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.324 0.228 8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.167 1.701 7.957 1.00 0.00 H new ATOM 816 N SER A 53 -7.475 2.314 2.206 1.00 0.00 N ATOM 817 CA SER A 53 -6.827 3.613 1.962 1.00 0.00 C ATOM 818 C SER A 53 -5.303 3.515 2.140 1.00 0.00 C ATOM 819 O SER A 53 -4.804 2.621 2.827 1.00 0.00 O ATOM 820 CB SER A 53 -7.427 4.663 2.924 1.00 0.00 C ATOM 821 OG SER A 53 -7.349 4.251 4.287 1.00 0.00 O ATOM 0 H SER A 53 -7.026 1.763 2.937 1.00 0.00 H new ATOM 0 HA SER A 53 -7.012 3.917 0.932 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.900 5.609 2.801 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.469 4.842 2.659 1.00 0.00 H new ATOM 0 HG SER A 53 -7.738 4.944 4.861 1.00 0.00 H new ATOM 827 N ILE A 54 -4.579 4.436 1.495 1.00 0.00 N ATOM 828 CA ILE A 54 -3.118 4.582 1.615 1.00 0.00 C ATOM 829 C ILE A 54 -2.802 6.063 1.865 1.00 0.00 C ATOM 830 O ILE A 54 -3.319 6.930 1.162 1.00 0.00 O ATOM 831 CB ILE A 54 -2.369 4.065 0.317 1.00 0.00 C ATOM 832 CG1 ILE A 54 -2.440 2.503 0.220 1.00 0.00 C ATOM 833 CG2 ILE A 54 -0.902 4.565 0.247 1.00 0.00 C ATOM 834 CD1 ILE A 54 -1.757 1.896 -0.997 1.00 0.00 C ATOM 0 H ILE A 54 -4.998 5.117 0.861 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.764 3.973 2.447 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.887 4.487 -0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.991 2.079 1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.488 2.203 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.431 4.185 -0.659 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.889 5.655 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.354 4.207 1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.863 0.811 -0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.219 2.284 -1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.699 2.158 -0.989 1.00 0.00 H new ATOM 846 N PHE A 55 -1.964 6.343 2.871 1.00 0.00 N ATOM 847 CA PHE A 55 -1.465 7.694 3.154 1.00 0.00 C ATOM 848 C PHE A 55 0.064 7.703 3.005 1.00 0.00 C ATOM 849 O PHE A 55 0.788 7.185 3.850 1.00 0.00 O ATOM 850 CB PHE A 55 -1.896 8.147 4.572 1.00 0.00 C ATOM 851 CG PHE A 55 -1.567 9.606 4.869 1.00 0.00 C ATOM 852 CD1 PHE A 55 -2.307 10.624 4.280 1.00 0.00 C ATOM 853 CD2 PHE A 55 -0.521 9.963 5.719 1.00 0.00 C ATOM 854 CE1 PHE A 55 -2.019 11.947 4.525 1.00 0.00 C ATOM 855 CE2 PHE A 55 -0.236 11.289 5.964 1.00 0.00 C ATOM 856 CZ PHE A 55 -0.985 12.280 5.366 1.00 0.00 C ATOM 0 H PHE A 55 -1.611 5.635 3.515 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.894 8.401 2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.970 7.995 4.683 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.406 7.514 5.312 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.123 10.372 3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.072 9.193 6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.606 12.723 4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.576 11.552 6.626 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.759 13.318 5.559 1.00 0.00 H new ATOM 866 N HIS A 56 0.549 8.276 1.905 1.00 0.00 N ATOM 867 CA HIS A 56 1.987 8.350 1.611 1.00 0.00 C ATOM 868 C HIS A 56 2.504 9.721 2.064 1.00 0.00 C ATOM 869 O HIS A 56 1.903 10.739 1.722 1.00 0.00 O ATOM 870 CB HIS A 56 2.204 8.122 0.093 1.00 0.00 C ATOM 871 CG HIS A 56 3.594 7.759 -0.359 1.00 0.00 C ATOM 872 ND1 HIS A 56 3.885 7.493 -1.684 1.00 0.00 N ATOM 873 CD2 HIS A 56 4.745 7.555 0.319 1.00 0.00 C ATOM 874 CE1 HIS A 56 5.143 7.125 -1.791 1.00 0.00 C ATOM 875 NE2 HIS A 56 5.687 7.154 -0.591 1.00 0.00 N ATOM 0 H HIS A 56 -0.040 8.703 1.190 1.00 0.00 H new ATOM 0 HA HIS A 56 2.542 7.579 2.146 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.527 7.331 -0.229 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.905 9.030 -0.431 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.894 7.684 1.381 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.645 6.847 -2.706 1.00 0.00 H new ATOM 0 HE2 HIS A 56 6.655 6.916 -0.374 1.00 0.00 H new ATOM 884 N VAL A 57 3.581 9.730 2.868 1.00 0.00 N ATOM 885 CA VAL A 57 4.253 10.974 3.309 1.00 0.00 C ATOM 886 C VAL A 57 5.643 10.629 3.862 1.00 0.00 C ATOM 887 O VAL A 57 5.844 9.503 4.334 1.00 0.00 O ATOM 888 CB VAL A 57 3.403 11.778 4.382 1.00 0.00 C ATOM 889 CG1 VAL A 57 3.314 11.046 5.735 1.00 0.00 C ATOM 890 CG2 VAL A 57 3.924 13.225 4.573 1.00 0.00 C ATOM 0 H VAL A 57 4.012 8.880 3.232 1.00 0.00 H new ATOM 0 HA VAL A 57 4.351 11.629 2.443 1.00 0.00 H new ATOM 0 HB VAL A 57 2.392 11.837 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.722 11.640 6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.841 10.075 5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.316 10.905 6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.312 13.737 5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.959 13.197 4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.867 13.760 3.625 1.00 0.00 H new ATOM 900 N MET A 58 6.588 11.598 3.756 1.00 0.00 N ATOM 901 CA MET A 58 7.989 11.485 4.226 1.00 0.00 C ATOM 902 C MET A 58 8.772 10.464 3.369 1.00 0.00 C ATOM 903 O MET A 58 9.660 10.833 2.589 1.00 0.00 O ATOM 904 CB MET A 58 8.061 11.159 5.750 1.00 0.00 C ATOM 905 CG MET A 58 9.479 11.095 6.327 1.00 0.00 C ATOM 906 SD MET A 58 10.385 12.652 6.150 1.00 0.00 S ATOM 907 CE MET A 58 9.440 13.763 7.208 1.00 0.00 C ATOM 0 H MET A 58 6.389 12.503 3.329 1.00 0.00 H new ATOM 0 HA MET A 58 8.469 12.455 4.097 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.495 11.914 6.296 1.00 0.00 H new ATOM 0 HB3 MET A 58 7.569 10.203 5.926 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.424 10.831 7.383 1.00 0.00 H new ATOM 0 HG3 MET A 58 10.033 10.300 5.828 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.001 14.685 7.360 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.486 13.993 6.734 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.261 13.284 8.171 1.00 0.00 H new ATOM 917 N ASP A 59 8.413 9.188 3.534 1.00 0.00 N ATOM 918 CA ASP A 59 8.923 8.066 2.730 1.00 0.00 C ATOM 919 C ASP A 59 7.846 6.975 2.587 1.00 0.00 C ATOM 920 O ASP A 59 7.685 6.379 1.520 1.00 0.00 O ATOM 921 CB ASP A 59 10.198 7.459 3.378 1.00 0.00 C ATOM 922 CG ASP A 59 9.965 6.857 4.787 1.00 0.00 C ATOM 923 OD1 ASP A 59 9.808 7.626 5.758 1.00 0.00 O ATOM 924 OD2 ASP A 59 9.916 5.612 4.935 1.00 0.00 O ATOM 0 H ASP A 59 7.744 8.896 4.246 1.00 0.00 H new ATOM 0 HA ASP A 59 9.179 8.448 1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.591 6.682 2.723 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.962 8.234 3.447 1.00 0.00 H new ATOM 929 N PHE A 60 7.066 6.778 3.662 1.00 0.00 N ATOM 930 CA PHE A 60 6.313 5.538 3.897 1.00 0.00 C ATOM 931 C PHE A 60 4.929 5.517 3.253 1.00 0.00 C ATOM 932 O PHE A 60 4.254 6.547 3.135 1.00 0.00 O ATOM 933 CB PHE A 60 6.168 5.276 5.412 1.00 0.00 C ATOM 934 CG PHE A 60 5.396 6.350 6.207 1.00 0.00 C ATOM 935 CD1 PHE A 60 6.056 7.458 6.737 1.00 0.00 C ATOM 936 CD2 PHE A 60 4.015 6.253 6.422 1.00 0.00 C ATOM 937 CE1 PHE A 60 5.373 8.414 7.457 1.00 0.00 C ATOM 938 CE2 PHE A 60 3.334 7.220 7.143 1.00 0.00 C ATOM 939 CZ PHE A 60 4.012 8.301 7.650 1.00 0.00 C ATOM 0 H PHE A 60 6.940 7.477 4.394 1.00 0.00 H new ATOM 0 HA PHE A 60 6.896 4.750 3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.667 4.318 5.550 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.165 5.179 5.842 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.119 7.569 6.581 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.473 5.411 6.019 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.906 9.256 7.872 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.271 7.124 7.306 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.480 9.063 8.200 1.00 0.00 H new ATOM 949 N ILE A 61 4.522 4.295 2.899 1.00 0.00 N ATOM 950 CA ILE A 61 3.200 3.977 2.373 1.00 0.00 C ATOM 951 C ILE A 61 2.344 3.426 3.538 1.00 0.00 C ATOM 952 O ILE A 61 2.468 2.256 3.908 1.00 0.00 O ATOM 953 CB ILE A 61 3.343 2.922 1.203 1.00 0.00 C ATOM 954 CG1 ILE A 61 4.294 3.473 0.090 1.00 0.00 C ATOM 955 CG2 ILE A 61 1.974 2.532 0.609 1.00 0.00 C ATOM 956 CD1 ILE A 61 4.592 2.510 -1.055 1.00 0.00 C ATOM 0 H ILE A 61 5.126 3.477 2.975 1.00 0.00 H new ATOM 0 HA ILE A 61 2.712 4.861 1.962 1.00 0.00 H new ATOM 0 HB ILE A 61 3.780 2.017 1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.852 4.378 -0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.237 3.762 0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.118 1.806 -0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.351 2.094 1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.485 3.420 0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.259 2.991 -1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.068 1.612 -0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.661 2.238 -1.553 1.00 0.00 H new ATOM 968 N SER A 62 1.529 4.301 4.150 1.00 0.00 N ATOM 969 CA SER A 62 0.703 3.950 5.322 1.00 0.00 C ATOM 970 C SER A 62 -0.610 3.293 4.852 1.00 0.00 C ATOM 971 O SER A 62 -1.617 3.975 4.625 1.00 0.00 O ATOM 972 CB SER A 62 0.444 5.222 6.175 1.00 0.00 C ATOM 973 OG SER A 62 -0.195 4.956 7.408 1.00 0.00 O ATOM 0 H SER A 62 1.423 5.270 3.849 1.00 0.00 H new ATOM 0 HA SER A 62 1.227 3.230 5.950 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.394 5.720 6.368 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.169 5.916 5.600 1.00 0.00 H new ATOM 0 HG SER A 62 -0.595 4.062 7.383 1.00 0.00 H new ATOM 979 N VAL A 63 -0.569 1.963 4.657 1.00 0.00 N ATOM 980 CA VAL A 63 -1.728 1.203 4.150 1.00 0.00 C ATOM 981 C VAL A 63 -2.702 0.923 5.307 1.00 0.00 C ATOM 982 O VAL A 63 -2.420 0.088 6.169 1.00 0.00 O ATOM 983 CB VAL A 63 -1.296 -0.147 3.460 1.00 0.00 C ATOM 984 CG1 VAL A 63 -2.518 -0.885 2.847 1.00 0.00 C ATOM 985 CG2 VAL A 63 -0.214 0.098 2.384 1.00 0.00 C ATOM 0 H VAL A 63 0.255 1.391 4.843 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.221 1.808 3.389 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.869 -0.786 4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.186 -1.812 2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.237 -1.113 3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.989 -0.249 2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.064 -0.851 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.606 0.769 1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.664 0.549 2.847 1.00 0.00 H new ATOM 995 N ASP A 64 -3.805 1.682 5.346 1.00 0.00 N ATOM 996 CA ASP A 64 -4.856 1.558 6.376 1.00 0.00 C ATOM 997 C ASP A 64 -5.975 0.653 5.869 1.00 0.00 C ATOM 998 O ASP A 64 -6.872 1.113 5.149 1.00 0.00 O ATOM 999 CB ASP A 64 -5.404 2.959 6.739 1.00 0.00 C ATOM 1000 CG ASP A 64 -6.480 2.942 7.845 1.00 0.00 C ATOM 1001 OD1 ASP A 64 -6.145 2.648 9.022 1.00 0.00 O ATOM 1002 OD2 ASP A 64 -7.657 3.239 7.555 1.00 0.00 O ATOM 0 H ASP A 64 -3.999 2.409 4.657 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.431 1.110 7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.576 3.590 7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.824 3.417 5.844 1.00 0.00 H new ATOM 1007 N LYS A 65 -5.893 -0.630 6.237 1.00 0.00 N ATOM 1008 CA LYS A 65 -6.813 -1.680 5.767 1.00 0.00 C ATOM 1009 C LYS A 65 -8.096 -1.771 6.633 1.00 0.00 C ATOM 1010 O LYS A 65 -8.354 -0.908 7.487 1.00 0.00 O ATOM 1011 CB LYS A 65 -6.067 -3.051 5.757 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.612 -3.555 7.145 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.258 -5.053 7.154 1.00 0.00 C ATOM 1014 CE LYS A 65 -4.972 -5.574 8.572 1.00 0.00 C ATOM 1015 NZ LYS A 65 -6.080 -5.303 9.531 1.00 0.00 N ATOM 0 H LYS A 65 -5.178 -0.976 6.877 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.132 -1.420 4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.721 -3.800 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.192 -2.967 5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.744 -2.980 7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.404 -3.370 7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.080 -5.621 6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.385 -5.222 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.793 -6.648 8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.057 -5.113 8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.755 -4.633 10.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.889 -4.894 9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.371 -6.192 9.986 1.00 0.00 H new ATOM 1029 N GLU A 66 -8.913 -2.820 6.365 1.00 0.00 N ATOM 1030 CA GLU A 66 -10.034 -3.236 7.241 1.00 0.00 C ATOM 1031 C GLU A 66 -9.536 -3.606 8.662 1.00 0.00 C ATOM 1032 O GLU A 66 -8.329 -3.753 8.895 1.00 0.00 O ATOM 1033 CB GLU A 66 -10.821 -4.433 6.596 1.00 0.00 C ATOM 1034 CG GLU A 66 -11.982 -4.048 5.649 1.00 0.00 C ATOM 1035 CD GLU A 66 -11.546 -3.249 4.412 1.00 0.00 C ATOM 1036 OE1 GLU A 66 -11.178 -3.862 3.398 1.00 0.00 O ATOM 1037 OE2 GLU A 66 -11.603 -2.010 4.434 1.00 0.00 O ATOM 0 H GLU A 66 -8.812 -3.402 5.533 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.712 -2.389 7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.114 -5.049 6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.223 -5.052 7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.486 -4.957 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.712 -3.462 6.207 1.00 0.00 H new ATOM 1044 N ASN A 67 -10.498 -3.743 9.598 1.00 0.00 N ATOM 1045 CA ASN A 67 -10.233 -3.995 11.037 1.00 0.00 C ATOM 1046 C ASN A 67 -9.279 -5.182 11.234 1.00 0.00 C ATOM 1047 O ASN A 67 -8.119 -4.983 11.615 1.00 0.00 O ATOM 1048 CB ASN A 67 -11.564 -4.240 11.809 1.00 0.00 C ATOM 1049 CG ASN A 67 -12.503 -3.025 11.873 1.00 0.00 C ATOM 1050 OD1 ASN A 67 -12.500 -2.175 10.989 1.00 0.00 O ATOM 1051 ND2 ASN A 67 -13.321 -2.944 12.921 1.00 0.00 N ATOM 0 H ASN A 67 -11.492 -3.682 9.378 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.751 -3.105 11.441 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.094 -5.067 11.338 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.326 -4.552 12.826 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.968 -2.160 13.004 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.301 -3.666 13.641 1.00 0.00 H new ATOM 1058 N ASP A 68 -9.744 -6.405 10.923 1.00 0.00 N ATOM 1059 CA ASP A 68 -8.916 -7.616 11.082 1.00 0.00 C ATOM 1060 C ASP A 68 -8.209 -7.961 9.754 1.00 0.00 C ATOM 1061 O ASP A 68 -6.977 -7.962 9.705 1.00 0.00 O ATOM 1062 CB ASP A 68 -9.773 -8.805 11.619 1.00 0.00 C ATOM 1063 CG ASP A 68 -10.942 -9.205 10.694 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -11.947 -8.474 10.628 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -10.847 -10.245 10.001 1.00 0.00 O ATOM 0 H ASP A 68 -10.682 -6.582 10.563 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.141 -7.421 11.823 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -9.125 -9.670 11.764 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.172 -8.539 12.598 1.00 0.00 H new ATOM 1070 N ALA A 69 -9.001 -8.157 8.668 1.00 0.00 N ATOM 1071 CA ALA A 69 -8.521 -8.535 7.309 1.00 0.00 C ATOM 1072 C ALA A 69 -7.375 -9.592 7.324 1.00 0.00 C ATOM 1073 O ALA A 69 -7.252 -10.374 8.276 1.00 0.00 O ATOM 1074 CB ALA A 69 -8.143 -7.257 6.539 1.00 0.00 C ATOM 0 H ALA A 69 -10.015 -8.055 8.712 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.336 -9.037 6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.790 -7.523 5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.017 -6.611 6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.353 -6.730 7.074 1.00 0.00 H new ATOM 1080 N ASN A 70 -6.579 -9.646 6.237 1.00 0.00 N ATOM 1081 CA ASN A 70 -5.357 -10.473 6.162 1.00 0.00 C ATOM 1082 C ASN A 70 -4.267 -9.708 5.396 1.00 0.00 C ATOM 1083 O ASN A 70 -4.374 -9.525 4.178 1.00 0.00 O ATOM 1084 CB ASN A 70 -5.622 -11.859 5.488 1.00 0.00 C ATOM 1085 CG ASN A 70 -6.332 -12.871 6.398 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -5.688 -13.644 7.104 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -7.658 -12.866 6.405 1.00 0.00 N ATOM 0 H ASN A 70 -6.765 -9.117 5.385 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.024 -10.672 7.181 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.224 -11.707 4.592 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.671 -12.282 5.164 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.167 -13.514 7.006 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.169 -12.214 5.809 1.00 0.00 H new ATOM 1094 N TRP A 71 -3.227 -9.247 6.129 1.00 0.00 N ATOM 1095 CA TRP A 71 -1.984 -8.718 5.523 1.00 0.00 C ATOM 1096 C TRP A 71 -1.296 -9.814 4.688 1.00 0.00 C ATOM 1097 O TRP A 71 -0.683 -9.530 3.665 1.00 0.00 O ATOM 1098 CB TRP A 71 -0.984 -8.206 6.599 1.00 0.00 C ATOM 1099 CG TRP A 71 -1.295 -6.854 7.208 1.00 0.00 C ATOM 1100 CD1 TRP A 71 -1.410 -6.544 8.542 1.00 0.00 C ATOM 1101 CD2 TRP A 71 -1.490 -5.620 6.496 1.00 0.00 C ATOM 1102 NE1 TRP A 71 -1.670 -5.202 8.690 1.00 0.00 N ATOM 1103 CE2 TRP A 71 -1.724 -4.616 7.453 1.00 0.00 C ATOM 1104 CE3 TRP A 71 -1.493 -5.268 5.140 1.00 0.00 C ATOM 1105 CZ2 TRP A 71 -1.958 -3.290 7.099 1.00 0.00 C ATOM 1106 CZ3 TRP A 71 -1.724 -3.956 4.795 1.00 0.00 C ATOM 1107 CH2 TRP A 71 -1.956 -2.982 5.771 1.00 0.00 C ATOM 0 H TRP A 71 -3.226 -9.231 7.149 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.268 -7.878 4.889 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.938 -8.942 7.402 1.00 0.00 H new ATOM 0 HB3 TRP A 71 0.009 -8.160 6.151 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.311 -7.250 9.354 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -1.802 -4.720 9.579 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.317 -6.013 4.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -2.135 -2.533 7.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.726 -3.674 3.753 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -2.138 -1.962 5.466 1.00 0.00 H new ATOM 1118 N GLU A 72 -1.441 -11.067 5.145 1.00 0.00 N ATOM 1119 CA GLU A 72 -0.815 -12.243 4.528 1.00 0.00 C ATOM 1120 C GLU A 72 -1.327 -12.470 3.082 1.00 0.00 C ATOM 1121 O GLU A 72 -0.670 -13.134 2.281 1.00 0.00 O ATOM 1122 CB GLU A 72 -1.071 -13.494 5.412 1.00 0.00 C ATOM 1123 CG GLU A 72 -0.107 -14.670 5.159 1.00 0.00 C ATOM 1124 CD GLU A 72 1.362 -14.304 5.461 1.00 0.00 C ATOM 1125 OE1 GLU A 72 1.750 -14.311 6.648 1.00 0.00 O ATOM 1126 OE2 GLU A 72 2.122 -13.981 4.522 1.00 0.00 O ATOM 0 H GLU A 72 -2.004 -11.293 5.965 1.00 0.00 H new ATOM 0 HA GLU A 72 0.259 -12.067 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.999 -13.202 6.460 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.092 -13.837 5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.402 -15.517 5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.193 -14.989 4.120 1.00 0.00 H new ATOM 1133 N THR A 73 -2.516 -11.920 2.778 1.00 0.00 N ATOM 1134 CA THR A 73 -3.125 -11.984 1.440 1.00 0.00 C ATOM 1135 C THR A 73 -2.739 -10.745 0.596 1.00 0.00 C ATOM 1136 O THR A 73 -2.360 -10.871 -0.574 1.00 0.00 O ATOM 1137 CB THR A 73 -4.677 -12.110 1.572 1.00 0.00 C ATOM 1138 OG1 THR A 73 -4.981 -13.207 2.452 1.00 0.00 O ATOM 1139 CG2 THR A 73 -5.374 -12.346 0.219 1.00 0.00 C ATOM 0 H THR A 73 -3.084 -11.416 3.459 1.00 0.00 H new ATOM 0 HA THR A 73 -2.744 -12.865 0.922 1.00 0.00 H new ATOM 0 HB THR A 73 -5.049 -11.166 1.969 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.953 -13.294 2.543 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.450 -12.425 0.373 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.164 -11.511 -0.449 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.002 -13.269 -0.226 1.00 0.00 H new ATOM 1147 N VAL A 74 -2.817 -9.558 1.224 1.00 0.00 N ATOM 1148 CA VAL A 74 -2.645 -8.251 0.544 1.00 0.00 C ATOM 1149 C VAL A 74 -1.169 -7.977 0.155 1.00 0.00 C ATOM 1150 O VAL A 74 -0.878 -7.650 -1.004 1.00 0.00 O ATOM 1151 CB VAL A 74 -3.184 -7.084 1.461 1.00 0.00 C ATOM 1152 CG1 VAL A 74 -2.915 -5.690 0.845 1.00 0.00 C ATOM 1153 CG2 VAL A 74 -4.696 -7.262 1.765 1.00 0.00 C ATOM 0 H VAL A 74 -3.002 -9.473 2.223 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.224 -8.292 -0.379 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.634 -7.140 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.302 -4.918 1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.842 -5.551 0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.411 -5.618 -0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.039 -6.444 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.258 -7.258 0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.855 -8.210 2.280 1.00 0.00 H new ATOM 1163 N LEU A 75 -0.256 -8.114 1.134 1.00 0.00 N ATOM 1164 CA LEU A 75 1.179 -7.771 0.971 1.00 0.00 C ATOM 1165 C LEU A 75 1.885 -8.507 -0.199 1.00 0.00 C ATOM 1166 O LEU A 75 2.674 -7.860 -0.877 1.00 0.00 O ATOM 1167 CB LEU A 75 1.973 -7.963 2.291 1.00 0.00 C ATOM 1168 CG LEU A 75 1.578 -7.028 3.473 1.00 0.00 C ATOM 1169 CD1 LEU A 75 2.410 -7.344 4.730 1.00 0.00 C ATOM 1170 CD2 LEU A 75 1.718 -5.539 3.090 1.00 0.00 C ATOM 0 H LEU A 75 -0.487 -8.466 2.063 1.00 0.00 H new ATOM 0 HA LEU A 75 1.179 -6.713 0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.852 -8.996 2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.032 -7.818 2.078 1.00 0.00 H new ATOM 0 HG LEU A 75 0.529 -7.217 3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.114 -6.677 5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.238 -8.378 5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.468 -7.202 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.434 -4.917 3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.752 -5.329 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.067 -5.318 2.244 1.00 0.00 H new ATOM 1182 N PRO A 76 1.647 -9.848 -0.455 1.00 0.00 N ATOM 1183 CA PRO A 76 2.138 -10.545 -1.688 1.00 0.00 C ATOM 1184 C PRO A 76 2.026 -9.712 -2.986 1.00 0.00 C ATOM 1185 O PRO A 76 2.950 -9.695 -3.812 1.00 0.00 O ATOM 1186 CB PRO A 76 1.220 -11.778 -1.761 1.00 0.00 C ATOM 1187 CG PRO A 76 0.987 -12.141 -0.331 1.00 0.00 C ATOM 1188 CD PRO A 76 0.993 -10.833 0.453 1.00 0.00 C ATOM 0 HA PRO A 76 3.204 -10.762 -1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.285 -11.549 -2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 76 1.691 -12.594 -2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.036 -12.660 -0.212 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.765 -12.814 0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.019 -10.522 0.711 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.543 -10.935 1.388 1.00 0.00 H new ATOM 1196 N LYS A 77 0.890 -9.008 -3.139 1.00 0.00 N ATOM 1197 CA LYS A 77 0.626 -8.161 -4.311 1.00 0.00 C ATOM 1198 C LYS A 77 1.415 -6.841 -4.248 1.00 0.00 C ATOM 1199 O LYS A 77 1.971 -6.397 -5.259 1.00 0.00 O ATOM 1200 CB LYS A 77 -0.882 -7.855 -4.431 1.00 0.00 C ATOM 1201 CG LYS A 77 -1.790 -9.092 -4.624 1.00 0.00 C ATOM 1202 CD LYS A 77 -3.183 -8.709 -5.181 1.00 0.00 C ATOM 1203 CE LYS A 77 -3.091 -8.081 -6.595 1.00 0.00 C ATOM 1204 NZ LYS A 77 -4.396 -7.586 -7.097 1.00 0.00 N ATOM 0 H LYS A 77 0.133 -9.011 -2.455 1.00 0.00 H new ATOM 0 HA LYS A 77 0.955 -8.715 -5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.202 -7.326 -3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.034 -7.178 -5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.308 -9.793 -5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.910 -9.606 -3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.815 -9.597 -5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.664 -8.005 -4.502 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.380 -7.255 -6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.698 -8.823 -7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.681 -8.141 -7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.115 -7.685 -6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.308 -6.584 -7.363 1.00 0.00 H new ATOM 1218 N VAL A 78 1.440 -6.224 -3.049 1.00 0.00 N ATOM 1219 CA VAL A 78 2.112 -4.924 -2.818 1.00 0.00 C ATOM 1220 C VAL A 78 3.616 -5.041 -3.143 1.00 0.00 C ATOM 1221 O VAL A 78 4.152 -4.256 -3.928 1.00 0.00 O ATOM 1222 CB VAL A 78 1.902 -4.432 -1.336 1.00 0.00 C ATOM 1223 CG1 VAL A 78 2.564 -3.053 -1.091 1.00 0.00 C ATOM 1224 CG2 VAL A 78 0.398 -4.378 -0.977 1.00 0.00 C ATOM 0 H VAL A 78 0.997 -6.609 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 78 1.664 -4.184 -3.481 1.00 0.00 H new ATOM 0 HB VAL A 78 2.389 -5.157 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.397 -2.748 -0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.635 -3.125 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.126 -2.315 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.281 -4.035 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.112 -3.688 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.036 -5.372 -1.080 1.00 0.00 H new ATOM 1234 N GLU A 79 4.252 -6.076 -2.572 1.00 0.00 N ATOM 1235 CA GLU A 79 5.671 -6.410 -2.801 1.00 0.00 C ATOM 1236 C GLU A 79 5.949 -6.634 -4.296 1.00 0.00 C ATOM 1237 O GLU A 79 6.926 -6.117 -4.824 1.00 0.00 O ATOM 1238 CB GLU A 79 6.055 -7.686 -2.007 1.00 0.00 C ATOM 1239 CG GLU A 79 5.844 -7.583 -0.488 1.00 0.00 C ATOM 1240 CD GLU A 79 6.101 -8.912 0.243 1.00 0.00 C ATOM 1241 OE1 GLU A 79 5.217 -9.793 0.227 1.00 0.00 O ATOM 1242 OE2 GLU A 79 7.194 -9.090 0.822 1.00 0.00 O ATOM 0 H GLU A 79 3.789 -6.716 -1.927 1.00 0.00 H new ATOM 0 HA GLU A 79 6.274 -5.571 -2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.469 -8.524 -2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.103 -7.916 -2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.508 -6.818 -0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.823 -7.256 -0.289 1.00 0.00 H new ATOM 1249 N ALA A 80 5.036 -7.381 -4.955 1.00 0.00 N ATOM 1250 CA ALA A 80 5.121 -7.735 -6.390 1.00 0.00 C ATOM 1251 C ALA A 80 5.174 -6.494 -7.308 1.00 0.00 C ATOM 1252 O ALA A 80 5.761 -6.546 -8.393 1.00 0.00 O ATOM 1253 CB ALA A 80 3.941 -8.642 -6.778 1.00 0.00 C ATOM 0 H ALA A 80 4.207 -7.761 -4.498 1.00 0.00 H new ATOM 0 HA ALA A 80 6.058 -8.272 -6.535 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.011 -8.898 -7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.971 -9.554 -6.181 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.003 -8.118 -6.593 1.00 0.00 H new ATOM 1259 N VAL A 81 4.524 -5.397 -6.874 1.00 0.00 N ATOM 1260 CA VAL A 81 4.503 -4.119 -7.618 1.00 0.00 C ATOM 1261 C VAL A 81 5.921 -3.549 -7.772 1.00 0.00 C ATOM 1262 O VAL A 81 6.343 -3.170 -8.872 1.00 0.00 O ATOM 1263 CB VAL A 81 3.569 -3.083 -6.888 1.00 0.00 C ATOM 1264 CG1 VAL A 81 3.705 -1.647 -7.448 1.00 0.00 C ATOM 1265 CG2 VAL A 81 2.102 -3.548 -6.946 1.00 0.00 C ATOM 0 H VAL A 81 3.999 -5.370 -6.000 1.00 0.00 H new ATOM 0 HA VAL A 81 4.107 -4.309 -8.616 1.00 0.00 H new ATOM 0 HB VAL A 81 3.896 -3.045 -5.849 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.036 -0.980 -6.904 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.733 -1.306 -7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.441 -1.642 -8.506 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.469 -2.821 -6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.789 -3.636 -7.986 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.008 -4.517 -6.456 1.00 0.00 H new ATOM 1275 N PHE A 82 6.639 -3.495 -6.650 1.00 0.00 N ATOM 1276 CA PHE A 82 8.025 -2.998 -6.603 1.00 0.00 C ATOM 1277 C PHE A 82 9.012 -4.068 -7.109 1.00 0.00 C ATOM 1278 O PHE A 82 10.084 -3.740 -7.644 1.00 0.00 O ATOM 1279 CB PHE A 82 8.362 -2.586 -5.157 1.00 0.00 C ATOM 1280 CG PHE A 82 7.250 -1.784 -4.494 1.00 0.00 C ATOM 1281 CD1 PHE A 82 6.858 -0.552 -5.014 1.00 0.00 C ATOM 1282 CD2 PHE A 82 6.577 -2.276 -3.379 1.00 0.00 C ATOM 1283 CE1 PHE A 82 5.819 0.150 -4.451 1.00 0.00 C ATOM 1284 CE2 PHE A 82 5.546 -1.568 -2.811 1.00 0.00 C ATOM 1285 CZ PHE A 82 5.168 -0.358 -3.345 1.00 0.00 C ATOM 0 H PHE A 82 6.280 -3.794 -5.743 1.00 0.00 H new ATOM 0 HA PHE A 82 8.118 -2.132 -7.258 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.559 -3.481 -4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.278 -1.996 -5.157 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.376 -0.144 -5.869 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.869 -3.226 -2.956 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.513 1.096 -4.873 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.033 -1.961 -1.946 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.358 0.197 -2.897 1.00 0.00 H new ATOM 1295 N GLU A 83 8.628 -5.351 -6.951 1.00 0.00 N ATOM 1296 CA GLU A 83 9.447 -6.503 -7.357 1.00 0.00 C ATOM 1297 C GLU A 83 9.038 -6.917 -8.777 1.00 0.00 C ATOM 1298 O GLU A 83 8.363 -7.935 -8.996 1.00 0.00 O ATOM 1299 CB GLU A 83 9.304 -7.682 -6.337 1.00 0.00 C ATOM 1300 CG GLU A 83 10.230 -8.888 -6.613 1.00 0.00 C ATOM 1301 CD GLU A 83 10.154 -9.986 -5.533 1.00 0.00 C ATOM 1302 OE1 GLU A 83 10.835 -9.854 -4.494 1.00 0.00 O ATOM 1303 OE2 GLU A 83 9.449 -11.005 -5.732 1.00 0.00 O ATOM 0 H GLU A 83 7.735 -5.615 -6.535 1.00 0.00 H new ATOM 0 HA GLU A 83 10.501 -6.227 -7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.509 -7.305 -5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.270 -8.026 -6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.970 -9.322 -7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.259 -8.535 -6.689 1.00 0.00 H new ATOM 1310 N LEU A 84 9.415 -6.067 -9.741 1.00 0.00 N ATOM 1311 CA LEU A 84 9.251 -6.330 -11.184 1.00 0.00 C ATOM 1312 C LEU A 84 10.450 -7.154 -11.707 1.00 0.00 C ATOM 1313 O LEU A 84 11.068 -6.777 -12.714 1.00 0.00 O ATOM 1314 CB LEU A 84 9.105 -4.982 -11.956 1.00 0.00 C ATOM 1315 CG LEU A 84 7.837 -4.130 -11.634 1.00 0.00 C ATOM 1316 CD1 LEU A 84 7.827 -2.804 -12.425 1.00 0.00 C ATOM 1317 CD2 LEU A 84 6.545 -4.935 -11.899 1.00 0.00 C ATOM 0 H LEU A 84 9.848 -5.165 -9.542 1.00 0.00 H new ATOM 0 HA LEU A 84 8.344 -6.912 -11.349 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.986 -4.374 -11.751 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.109 -5.198 -13.024 1.00 0.00 H new ATOM 0 HG LEU A 84 7.873 -3.882 -10.573 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.930 -2.238 -12.175 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.709 -2.219 -12.165 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.835 -3.018 -13.494 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.677 -4.318 -11.666 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.509 -5.231 -12.947 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.536 -5.825 -11.270 1.00 0.00 H new ATOM 1329 N GLU A 85 10.737 -8.287 -10.985 1.00 0.00 N ATOM 1330 CA GLU A 85 11.857 -9.239 -11.235 1.00 0.00 C ATOM 1331 C GLU A 85 13.041 -8.605 -12.006 1.00 0.00 C ATOM 1332 O GLU A 85 13.178 -8.791 -13.219 1.00 0.00 O ATOM 1333 CB GLU A 85 11.339 -10.566 -11.884 1.00 0.00 C ATOM 1334 CG GLU A 85 10.439 -10.386 -13.125 1.00 0.00 C ATOM 1335 CD GLU A 85 9.906 -11.716 -13.699 1.00 0.00 C ATOM 1336 OE1 GLU A 85 8.834 -12.184 -13.255 1.00 0.00 O ATOM 1337 OE2 GLU A 85 10.553 -12.291 -14.596 1.00 0.00 O ATOM 0 H GLU A 85 10.169 -8.566 -10.185 1.00 0.00 H new ATOM 0 HA GLU A 85 12.272 -9.501 -10.262 1.00 0.00 H new ATOM 0 HB2 GLU A 85 12.199 -11.174 -12.165 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.784 -11.127 -11.132 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.595 -9.749 -12.862 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.002 -9.865 -13.900 1.00 0.00 H new ATOM 1344 N HIS A 86 13.842 -7.799 -11.272 1.00 0.00 N ATOM 1345 CA HIS A 86 14.885 -6.910 -11.840 1.00 0.00 C ATOM 1346 C HIS A 86 15.961 -7.713 -12.606 1.00 0.00 C ATOM 1347 O HIS A 86 16.969 -8.137 -12.028 1.00 0.00 O ATOM 1348 CB HIS A 86 15.528 -6.047 -10.709 1.00 0.00 C ATOM 1349 CG HIS A 86 14.562 -5.154 -9.961 1.00 0.00 C ATOM 1350 ND1 HIS A 86 14.123 -5.425 -8.684 1.00 0.00 N ATOM 1351 CD2 HIS A 86 13.956 -3.990 -10.316 1.00 0.00 C ATOM 1352 CE1 HIS A 86 13.296 -4.476 -8.290 1.00 0.00 C ATOM 1353 NE2 HIS A 86 13.176 -3.592 -9.259 1.00 0.00 N ATOM 0 H HIS A 86 13.782 -7.746 -10.255 1.00 0.00 H new ATOM 0 HA HIS A 86 14.409 -6.244 -12.560 1.00 0.00 H new ATOM 0 HB2 HIS A 86 16.012 -6.713 -9.995 1.00 0.00 H new ATOM 0 HB3 HIS A 86 16.310 -5.426 -11.146 1.00 0.00 H new ATOM 0 HD2 HIS A 86 14.068 -3.473 -11.258 1.00 0.00 H new ATOM 0 HE1 HIS A 86 12.800 -4.431 -7.332 1.00 0.00 H new ATOM 0 HE2 HIS A 86 12.599 -2.751 -9.229 1.00 0.00 H new ATOM 1362 N HIS A 87 15.683 -7.979 -13.891 1.00 0.00 N ATOM 1363 CA HIS A 87 16.600 -8.680 -14.804 1.00 0.00 C ATOM 1364 C HIS A 87 17.146 -7.688 -15.832 1.00 0.00 C ATOM 1365 O HIS A 87 18.336 -7.714 -16.162 1.00 0.00 O ATOM 1366 CB HIS A 87 15.864 -9.851 -15.507 1.00 0.00 C ATOM 1367 CG HIS A 87 16.683 -10.572 -16.547 1.00 0.00 C ATOM 1368 ND1 HIS A 87 16.233 -10.837 -17.824 1.00 0.00 N ATOM 1369 CD2 HIS A 87 17.939 -11.074 -16.486 1.00 0.00 C ATOM 1370 CE1 HIS A 87 17.179 -11.464 -18.498 1.00 0.00 C ATOM 1371 NE2 HIS A 87 18.223 -11.619 -17.708 1.00 0.00 N ATOM 0 H HIS A 87 14.803 -7.710 -14.332 1.00 0.00 H new ATOM 0 HA HIS A 87 17.432 -9.096 -14.236 1.00 0.00 H new ATOM 0 HB2 HIS A 87 15.546 -10.569 -14.751 1.00 0.00 H new ATOM 0 HB3 HIS A 87 14.961 -9.464 -15.979 1.00 0.00 H new ATOM 0 HD2 HIS A 87 18.596 -11.049 -15.629 1.00 0.00 H new ATOM 0 HE1 HIS A 87 17.109 -11.794 -19.524 1.00 0.00 H new ATOM 0 HE2 HIS A 87 19.100 -12.072 -17.966 1.00 0.00 H new ATOM 1380 N HIS A 88 16.253 -6.820 -16.343 1.00 0.00 N ATOM 1381 CA HIS A 88 16.650 -5.696 -17.201 1.00 0.00 C ATOM 1382 C HIS A 88 17.504 -4.713 -16.387 1.00 0.00 C ATOM 1383 O HIS A 88 17.458 -4.726 -15.147 1.00 0.00 O ATOM 1384 CB HIS A 88 15.412 -4.986 -17.824 1.00 0.00 C ATOM 1385 CG HIS A 88 14.573 -4.161 -16.869 1.00 0.00 C ATOM 1386 ND1 HIS A 88 14.791 -2.820 -16.650 1.00 0.00 N ATOM 1387 CD2 HIS A 88 13.518 -4.491 -16.086 1.00 0.00 C ATOM 1388 CE1 HIS A 88 13.916 -2.365 -15.777 1.00 0.00 C ATOM 1389 NE2 HIS A 88 13.131 -3.359 -15.418 1.00 0.00 N ATOM 0 H HIS A 88 15.249 -6.879 -16.174 1.00 0.00 H new ATOM 0 HA HIS A 88 17.242 -6.081 -18.031 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.757 -4.336 -18.629 1.00 0.00 H new ATOM 0 HB3 HIS A 88 14.773 -5.744 -18.277 1.00 0.00 H new ATOM 0 HD1 HIS A 88 15.520 -2.263 -17.096 1.00 0.00 H new ATOM 0 HD2 HIS A 88 13.065 -5.468 -16.003 1.00 0.00 H new ATOM 0 HE1 HIS A 88 13.853 -1.349 -15.417 1.00 0.00 H new ATOM 1398 N HIS A 89 18.261 -3.856 -17.075 1.00 0.00 N ATOM 1399 CA HIS A 89 19.147 -2.863 -16.429 1.00 0.00 C ATOM 1400 C HIS A 89 18.307 -1.697 -15.840 1.00 0.00 C ATOM 1401 O HIS A 89 17.116 -1.872 -15.576 1.00 0.00 O ATOM 1402 CB HIS A 89 20.207 -2.385 -17.453 1.00 0.00 C ATOM 1403 CG HIS A 89 21.046 -3.513 -18.021 1.00 0.00 C ATOM 1404 ND1 HIS A 89 21.333 -3.649 -19.359 1.00 0.00 N ATOM 1405 CD2 HIS A 89 21.640 -4.568 -17.408 1.00 0.00 C ATOM 1406 CE1 HIS A 89 22.059 -4.736 -19.542 1.00 0.00 C ATOM 1407 NE2 HIS A 89 22.260 -5.314 -18.374 1.00 0.00 N ATOM 0 H HIS A 89 18.283 -3.824 -18.094 1.00 0.00 H new ATOM 0 HA HIS A 89 19.678 -3.315 -15.592 1.00 0.00 H new ATOM 0 HB2 HIS A 89 19.705 -1.868 -18.271 1.00 0.00 H new ATOM 0 HB3 HIS A 89 20.864 -1.659 -16.973 1.00 0.00 H new ATOM 0 HD2 HIS A 89 21.626 -4.781 -16.349 1.00 0.00 H new ATOM 0 HE1 HIS A 89 22.428 -5.093 -20.492 1.00 0.00 H new ATOM 0 HE2 HIS A 89 22.788 -6.172 -18.217 1.00 0.00 H new ATOM 1416 N HIS A 90 18.918 -0.526 -15.579 1.00 0.00 N ATOM 1417 CA HIS A 90 18.174 0.631 -15.019 1.00 0.00 C ATOM 1418 C HIS A 90 17.135 1.136 -16.040 1.00 0.00 C ATOM 1419 O HIS A 90 17.424 1.185 -17.245 1.00 0.00 O ATOM 1420 CB HIS A 90 19.126 1.791 -14.609 1.00 0.00 C ATOM 1421 CG HIS A 90 19.728 2.566 -15.763 1.00 0.00 C ATOM 1422 ND1 HIS A 90 19.095 3.647 -16.356 1.00 0.00 N ATOM 1423 CD2 HIS A 90 20.881 2.392 -16.454 1.00 0.00 C ATOM 1424 CE1 HIS A 90 19.831 4.095 -17.353 1.00 0.00 C ATOM 1425 NE2 HIS A 90 20.919 3.353 -17.434 1.00 0.00 N ATOM 0 H HIS A 90 19.910 -0.351 -15.742 1.00 0.00 H new ATOM 0 HA HIS A 90 17.664 0.289 -14.118 1.00 0.00 H new ATOM 0 HB2 HIS A 90 18.576 2.485 -13.974 1.00 0.00 H new ATOM 0 HB3 HIS A 90 19.936 1.380 -14.006 1.00 0.00 H new ATOM 0 HD2 HIS A 90 21.631 1.637 -16.268 1.00 0.00 H new ATOM 0 HE1 HIS A 90 19.585 4.928 -17.995 1.00 0.00 H new ATOM 0 HE2 HIS A 90 21.668 3.474 -18.115 1.00 0.00 H new ATOM 1434 N HIS A 91 15.926 1.464 -15.574 1.00 0.00 N ATOM 1435 CA HIS A 91 14.935 2.168 -16.406 1.00 0.00 C ATOM 1436 C HIS A 91 15.176 3.696 -16.263 1.00 0.00 C ATOM 1437 O HIS A 91 15.995 4.246 -17.023 1.00 0.00 O ATOM 1438 CB HIS A 91 13.485 1.754 -16.020 1.00 0.00 C ATOM 1439 CG HIS A 91 12.424 2.462 -16.827 1.00 0.00 C ATOM 1440 ND1 HIS A 91 11.503 3.329 -16.275 1.00 0.00 N ATOM 1441 CD2 HIS A 91 12.165 2.446 -18.158 1.00 0.00 C ATOM 1442 CE1 HIS A 91 10.733 3.814 -17.231 1.00 0.00 C ATOM 1443 NE2 HIS A 91 11.114 3.295 -18.383 1.00 0.00 N ATOM 1444 OXT HIS A 91 14.602 4.327 -15.347 1.00 0.00 O ATOM 0 H HIS A 91 15.607 1.256 -14.628 1.00 0.00 H new ATOM 0 HA HIS A 91 15.055 1.891 -17.453 1.00 0.00 H new ATOM 0 HB2 HIS A 91 13.375 0.678 -16.154 1.00 0.00 H new ATOM 0 HB3 HIS A 91 13.325 1.962 -14.962 1.00 0.00 H new ATOM 0 HD2 HIS A 91 12.691 1.869 -18.904 1.00 0.00 H new ATOM 0 HE1 HIS A 91 9.926 4.518 -17.093 1.00 0.00 H new ATOM 0 HE2 HIS A 91 10.695 3.493 -19.291 1.00 0.00 H new TER 1453 HIS A 91