USER MOD reduce.3.24.130724 H: found=0, std=0, add=1402, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1400 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 Single : A 1 MET CE :methyl -111:sc= 0 (180deg=-0.0624) USER MOD Single : A 1 MET N :NH3+ 158:sc= -0.275 (180deg=-1.05) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc=-0.00353 K(o=-0.0035,f=-1.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-3.6!) USER MOD Single : A 15 MET CE :methyl -146:sc= -3.77! (180deg=-6.56!) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= -0.0258 (180deg=-0.447) USER MOD Single : A 22 SER OG : rot -130:sc= -0.0397 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= -0.148 (180deg=-0.743) USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= 0.0566 (180deg=-0.153) USER MOD Single : A 43 TYR OH : rot 165:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.189 F(o=-1.1,f=-0.19) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -157:sc= -0.083 (180deg=-0.71) USER MOD Single : A 66 THR OG1 : rot 75:sc= 0.854 USER MOD Single : A 67 CYS SG : rot -33:sc= 0.568 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.51! C(o=-1.5!,f=-6.8!) USER MOD Single : A 74 SER OG : rot 76:sc= 0.42 USER MOD Single : A 77 CYS SG : rot -24:sc= 0.683 USER MOD Single : A 80 CYS SG : rot -140:sc= -0.0592 USER MOD Single : A 85 CYS SG : rot 33:sc= -1.5 USER MOD Single : B 1 MET CE :methyl -110:sc=-0.00452 (180deg=-0.0568) USER MOD Single : B 1 MET N :NH3+ 159:sc= -0.255 (180deg=-1.12) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-3.7!) USER MOD Single : B 15 MET CE :methyl -149:sc= -3.75! (180deg=-6.6!) USER MOD Single : B 18 LYS NZ :NH3+ -162:sc= -0.0262 (180deg=-0.362) USER MOD Single : B 22 SER OG : rot -130:sc= -0.027 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ -162:sc= -0.121 (180deg=-0.805) USER MOD Single : B 41 LYS NZ :NH3+ -168:sc= 0.0554 (180deg=-0.185) USER MOD Single : B 43 TYR OH : rot 165:sc= 0 USER MOD Single : B 48 GLN :FLIP amide:sc= -0.238 F(o=-1.1,f=-0.24) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ -157:sc= -0.0814 (180deg=-0.667) USER MOD Single : B 66 THR OG1 : rot 76:sc= 0.93 USER MOD Single : B 67 CYS SG : rot -46:sc= 0.7 USER MOD Single : B 70 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 GLN : amide:sc= -1.48! C(o=-1.5!,f=-7.2!) USER MOD Single : B 74 SER OG : rot 76:sc= 0.418 USER MOD Single : B 77 CYS SG : rot -23:sc= 0.735 USER MOD Single : B 80 CYS SG : rot -140:sc= -0.0712 USER MOD Single : B 85 CYS SG : rot 180:sc= -1.58 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 113.800 -8.170 12.745 1.00 0.00 N ATOM 2 CA MET A 1 114.375 -7.946 11.387 1.00 0.00 C ATOM 3 C MET A 1 115.701 -8.703 11.260 1.00 0.00 C ATOM 4 O MET A 1 116.768 -8.126 11.325 1.00 0.00 O ATOM 5 CB MET A 1 114.608 -6.444 11.159 1.00 0.00 C ATOM 6 CG MET A 1 115.244 -5.805 12.403 1.00 0.00 C ATOM 7 SD MET A 1 115.348 -4.010 12.177 1.00 0.00 S ATOM 8 CE MET A 1 116.844 -3.979 11.159 1.00 0.00 C ATOM 0 H1 MET A 1 113.136 -7.402 12.972 1.00 0.00 H new ATOM 0 H2 MET A 1 113.297 -9.080 12.763 1.00 0.00 H new ATOM 0 H3 MET A 1 114.566 -8.184 13.448 1.00 0.00 H new ATOM 0 HA MET A 1 113.676 -8.314 10.636 1.00 0.00 H new ATOM 0 HB2 MET A 1 115.257 -6.297 10.295 1.00 0.00 H new ATOM 0 HB3 MET A 1 113.661 -5.953 10.934 1.00 0.00 H new ATOM 0 HG2 MET A 1 114.650 -6.037 13.287 1.00 0.00 H new ATOM 0 HG3 MET A 1 116.238 -6.219 12.569 1.00 0.00 H new ATOM 0 HE1 MET A 1 117.662 -3.537 11.728 1.00 0.00 H new ATOM 0 HE2 MET A 1 117.110 -4.996 10.872 1.00 0.00 H new ATOM 0 HE3 MET A 1 116.662 -3.385 10.263 1.00 0.00 H new ATOM 20 N THR A 2 115.641 -9.995 11.076 1.00 0.00 N ATOM 21 CA THR A 2 116.896 -10.789 10.944 1.00 0.00 C ATOM 22 C THR A 2 117.632 -10.380 9.666 1.00 0.00 C ATOM 23 O THR A 2 117.026 -10.082 8.656 1.00 0.00 O ATOM 24 CB THR A 2 116.558 -12.282 10.879 1.00 0.00 C ATOM 25 OG1 THR A 2 115.834 -12.654 12.043 1.00 0.00 O ATOM 26 CG2 THR A 2 117.851 -13.096 10.799 1.00 0.00 C ATOM 0 H THR A 2 114.778 -10.534 11.012 1.00 0.00 H new ATOM 0 HA THR A 2 117.533 -10.598 11.808 1.00 0.00 H new ATOM 0 HB THR A 2 115.951 -12.479 9.995 1.00 0.00 H new ATOM 0 HG1 THR A 2 115.616 -13.609 12.001 1.00 0.00 H new ATOM 0 HG21 THR A 2 117.610 -14.158 10.753 1.00 0.00 H new ATOM 0 HG22 THR A 2 118.406 -12.811 9.905 1.00 0.00 H new ATOM 0 HG23 THR A 2 118.459 -12.900 11.682 1.00 0.00 H new ATOM 34 N THR A 3 118.936 -10.359 9.705 1.00 0.00 N ATOM 35 CA THR A 3 119.717 -9.966 8.497 1.00 0.00 C ATOM 36 C THR A 3 119.601 -11.057 7.429 1.00 0.00 C ATOM 37 O THR A 3 119.277 -12.191 7.718 1.00 0.00 O ATOM 38 CB THR A 3 121.188 -9.786 8.879 1.00 0.00 C ATOM 39 OG1 THR A 3 121.698 -11.012 9.383 1.00 0.00 O ATOM 40 CG2 THR A 3 121.313 -8.702 9.951 1.00 0.00 C ATOM 0 H THR A 3 119.496 -10.598 10.523 1.00 0.00 H new ATOM 0 HA THR A 3 119.323 -9.030 8.102 1.00 0.00 H new ATOM 0 HB THR A 3 121.757 -9.489 7.998 1.00 0.00 H new ATOM 0 HG1 THR A 3 122.640 -10.899 9.626 1.00 0.00 H new ATOM 0 HG21 THR A 3 122.362 -8.576 10.221 1.00 0.00 H new ATOM 0 HG22 THR A 3 120.923 -7.761 9.564 1.00 0.00 H new ATOM 0 HG23 THR A 3 120.744 -8.995 10.833 1.00 0.00 H new ATOM 48 N SER A 4 119.871 -10.721 6.198 1.00 0.00 N ATOM 49 CA SER A 4 119.784 -11.736 5.109 1.00 0.00 C ATOM 50 C SER A 4 121.048 -12.602 5.122 1.00 0.00 C ATOM 51 O SER A 4 122.012 -12.307 5.800 1.00 0.00 O ATOM 52 CB SER A 4 119.666 -11.025 3.762 1.00 0.00 C ATOM 53 OG SER A 4 118.375 -10.439 3.653 1.00 0.00 O ATOM 0 H SER A 4 120.149 -9.786 5.898 1.00 0.00 H new ATOM 0 HA SER A 4 118.909 -12.367 5.264 1.00 0.00 H new ATOM 0 HB2 SER A 4 120.435 -10.258 3.674 1.00 0.00 H new ATOM 0 HB3 SER A 4 119.827 -11.733 2.949 1.00 0.00 H new ATOM 0 HG SER A 4 118.296 -9.980 2.791 1.00 0.00 H new ATOM 59 N GLN A 5 121.031 -13.681 4.386 1.00 0.00 N ATOM 60 CA GLN A 5 122.205 -14.599 4.352 1.00 0.00 C ATOM 61 C GLN A 5 123.404 -13.902 3.712 1.00 0.00 C ATOM 62 O GLN A 5 124.536 -14.303 3.895 1.00 0.00 O ATOM 63 CB GLN A 5 121.858 -15.840 3.528 1.00 0.00 C ATOM 64 CG GLN A 5 120.841 -16.695 4.286 1.00 0.00 C ATOM 65 CD GLN A 5 120.443 -17.894 3.424 1.00 0.00 C ATOM 66 OE1 GLN A 5 120.645 -17.888 2.225 1.00 0.00 O ATOM 67 NE2 GLN A 5 119.879 -18.927 3.985 1.00 0.00 N ATOM 0 H GLN A 5 120.246 -13.968 3.801 1.00 0.00 H new ATOM 0 HA GLN A 5 122.456 -14.884 5.374 1.00 0.00 H new ATOM 0 HB2 GLN A 5 121.450 -15.544 2.561 1.00 0.00 H new ATOM 0 HB3 GLN A 5 122.759 -16.420 3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 5 121.268 -17.037 5.229 1.00 0.00 H new ATOM 0 HG3 GLN A 5 119.961 -16.101 4.531 1.00 0.00 H new ATOM 0 HE21 GLN A 5 119.710 -18.932 4.991 1.00 0.00 H new ATOM 0 HE22 GLN A 5 119.607 -19.730 3.418 1.00 0.00 H new ATOM 76 N LYS A 6 123.169 -12.864 2.955 1.00 0.00 N ATOM 77 CA LYS A 6 124.291 -12.145 2.296 1.00 0.00 C ATOM 78 C LYS A 6 125.201 -11.527 3.356 1.00 0.00 C ATOM 79 O LYS A 6 126.407 -11.512 3.214 1.00 0.00 O ATOM 80 CB LYS A 6 123.713 -11.044 1.405 1.00 0.00 C ATOM 81 CG LYS A 6 123.014 -11.687 0.207 1.00 0.00 C ATOM 82 CD LYS A 6 122.430 -10.601 -0.697 1.00 0.00 C ATOM 83 CE LYS A 6 121.735 -11.259 -1.890 1.00 0.00 C ATOM 84 NZ LYS A 6 121.153 -10.207 -2.771 1.00 0.00 N ATOM 0 H LYS A 6 122.242 -12.483 2.765 1.00 0.00 H new ATOM 0 HA LYS A 6 124.874 -12.841 1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 6 123.007 -10.435 1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 6 124.507 -10.379 1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 6 123.722 -12.298 -0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 6 122.221 -12.352 0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 6 121.720 -9.990 -0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 6 123.221 -9.935 -1.043 1.00 0.00 H new ATOM 0 HE2 LYS A 6 122.447 -11.864 -2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 6 120.951 -11.931 -1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 120.681 -10.655 -3.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 120.461 -9.648 -2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 121.911 -9.583 -3.114 1.00 0.00 H new ATOM 98 N HIS A 7 124.641 -10.996 4.406 1.00 0.00 N ATOM 99 CA HIS A 7 125.492 -10.363 5.450 1.00 0.00 C ATOM 100 C HIS A 7 126.468 -11.382 6.039 1.00 0.00 C ATOM 101 O HIS A 7 127.655 -11.136 6.121 1.00 0.00 O ATOM 102 CB HIS A 7 124.599 -9.806 6.561 1.00 0.00 C ATOM 103 CG HIS A 7 125.453 -9.252 7.671 1.00 0.00 C ATOM 104 ND1 HIS A 7 125.946 -7.954 7.659 1.00 0.00 N ATOM 105 CD2 HIS A 7 125.906 -9.814 8.840 1.00 0.00 C ATOM 106 CE1 HIS A 7 126.661 -7.781 8.789 1.00 0.00 C ATOM 107 NE2 HIS A 7 126.666 -8.884 9.539 1.00 0.00 N ATOM 0 H HIS A 7 123.637 -10.973 4.586 1.00 0.00 H new ATOM 0 HA HIS A 7 126.066 -9.555 4.995 1.00 0.00 H new ATOM 0 HB2 HIS A 7 123.952 -9.025 6.163 1.00 0.00 H new ATOM 0 HB3 HIS A 7 123.950 -10.592 6.947 1.00 0.00 H new ATOM 0 HD2 HIS A 7 125.703 -10.823 9.166 1.00 0.00 H new ATOM 0 HE1 HIS A 7 127.166 -6.864 9.054 1.00 0.00 H new ATOM 0 HE2 HIS A 7 127.130 -9.017 10.437 1.00 0.00 H new ATOM 115 N ARG A 8 125.987 -12.531 6.449 1.00 0.00 N ATOM 116 CA ARG A 8 126.894 -13.559 7.029 1.00 0.00 C ATOM 117 C ARG A 8 127.786 -14.143 5.936 1.00 0.00 C ATOM 118 O ARG A 8 128.925 -14.495 6.172 1.00 0.00 O ATOM 119 CB ARG A 8 126.069 -14.683 7.664 1.00 0.00 C ATOM 120 CG ARG A 8 125.378 -14.163 8.926 1.00 0.00 C ATOM 121 CD ARG A 8 124.559 -15.287 9.565 1.00 0.00 C ATOM 122 NE ARG A 8 123.825 -14.749 10.746 1.00 0.00 N ATOM 123 CZ ARG A 8 122.883 -15.452 11.312 1.00 0.00 C ATOM 124 NH1 ARG A 8 122.602 -16.648 10.870 1.00 0.00 N ATOM 125 NH2 ARG A 8 122.228 -14.963 12.328 1.00 0.00 N ATOM 0 H ARG A 8 125.003 -12.797 6.405 1.00 0.00 H new ATOM 0 HA ARG A 8 127.516 -13.090 7.791 1.00 0.00 H new ATOM 0 HB2 ARG A 8 125.326 -15.048 6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 8 126.714 -15.526 7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 8 126.121 -13.794 9.633 1.00 0.00 H new ATOM 0 HG3 ARG A 8 124.729 -13.323 8.677 1.00 0.00 H new ATOM 0 HD2 ARG A 8 123.855 -15.697 8.841 1.00 0.00 H new ATOM 0 HD3 ARG A 8 125.215 -16.103 9.870 1.00 0.00 H new ATOM 0 HE ARG A 8 124.060 -13.827 11.113 1.00 0.00 H new ATOM 0 HH11 ARG A 8 123.119 -17.035 10.081 1.00 0.00 H new ATOM 0 HH12 ARG A 8 121.865 -17.196 11.314 1.00 0.00 H new ATOM 0 HH21 ARG A 8 122.452 -14.032 12.679 1.00 0.00 H new ATOM 0 HH22 ARG A 8 121.491 -15.511 12.772 1.00 0.00 H new ATOM 139 N ASP A 9 127.278 -14.250 4.743 1.00 0.00 N ATOM 140 CA ASP A 9 128.095 -14.811 3.635 1.00 0.00 C ATOM 141 C ASP A 9 129.191 -13.823 3.240 1.00 0.00 C ATOM 142 O ASP A 9 130.304 -14.204 2.949 1.00 0.00 O ATOM 143 CB ASP A 9 127.205 -15.098 2.424 1.00 0.00 C ATOM 144 CG ASP A 9 126.285 -16.280 2.733 1.00 0.00 C ATOM 145 OD1 ASP A 9 126.602 -17.031 3.642 1.00 0.00 O ATOM 146 OD2 ASP A 9 125.283 -16.419 2.052 1.00 0.00 O ATOM 0 H ASP A 9 126.330 -13.973 4.487 1.00 0.00 H new ATOM 0 HA ASP A 9 128.554 -15.740 3.973 1.00 0.00 H new ATOM 0 HB2 ASP A 9 126.612 -14.217 2.179 1.00 0.00 H new ATOM 0 HB3 ASP A 9 127.820 -15.321 1.552 1.00 0.00 H new ATOM 151 N PHE A 10 128.880 -12.557 3.208 1.00 0.00 N ATOM 152 CA PHE A 10 129.909 -11.557 2.804 1.00 0.00 C ATOM 153 C PHE A 10 131.027 -11.488 3.849 1.00 0.00 C ATOM 154 O PHE A 10 132.195 -11.446 3.515 1.00 0.00 O ATOM 155 CB PHE A 10 129.258 -10.179 2.674 1.00 0.00 C ATOM 156 CG PHE A 10 130.243 -9.218 2.054 1.00 0.00 C ATOM 157 CD1 PHE A 10 131.133 -8.503 2.866 1.00 0.00 C ATOM 158 CD2 PHE A 10 130.275 -9.048 0.664 1.00 0.00 C ATOM 159 CE1 PHE A 10 132.051 -7.618 2.288 1.00 0.00 C ATOM 160 CE2 PHE A 10 131.194 -8.164 0.086 1.00 0.00 C ATOM 161 CZ PHE A 10 132.082 -7.448 0.898 1.00 0.00 C ATOM 0 H PHE A 10 127.965 -12.173 3.442 1.00 0.00 H new ATOM 0 HA PHE A 10 130.334 -11.860 1.847 1.00 0.00 H new ATOM 0 HB2 PHE A 10 128.360 -10.245 2.059 1.00 0.00 H new ATOM 0 HB3 PHE A 10 128.947 -9.817 3.654 1.00 0.00 H new ATOM 0 HD1 PHE A 10 131.111 -8.634 3.938 1.00 0.00 H new ATOM 0 HD2 PHE A 10 129.590 -9.600 0.037 1.00 0.00 H new ATOM 0 HE1 PHE A 10 132.736 -7.066 2.914 1.00 0.00 H new ATOM 0 HE2 PHE A 10 131.218 -8.034 -0.986 1.00 0.00 H new ATOM 0 HZ PHE A 10 132.790 -6.765 0.453 1.00 0.00 H new ATOM 171 N VAL A 11 130.687 -11.459 5.110 1.00 0.00 N ATOM 172 CA VAL A 11 131.739 -11.375 6.169 1.00 0.00 C ATOM 173 C VAL A 11 132.268 -12.774 6.508 1.00 0.00 C ATOM 174 O VAL A 11 132.938 -12.964 7.503 1.00 0.00 O ATOM 175 CB VAL A 11 131.138 -10.735 7.424 1.00 0.00 C ATOM 176 CG1 VAL A 11 130.488 -9.396 7.054 1.00 0.00 C ATOM 177 CG2 VAL A 11 130.084 -11.674 8.017 1.00 0.00 C ATOM 0 H VAL A 11 129.727 -11.490 5.454 1.00 0.00 H new ATOM 0 HA VAL A 11 132.567 -10.768 5.803 1.00 0.00 H new ATOM 0 HB VAL A 11 131.924 -10.562 8.159 1.00 0.00 H new ATOM 0 HG11 VAL A 11 130.060 -8.940 7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 11 131.241 -8.730 6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 11 129.700 -9.565 6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 11 129.655 -11.221 8.911 1.00 0.00 H new ATOM 0 HG22 VAL A 11 129.297 -11.847 7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 11 130.550 -12.624 8.280 1.00 0.00 H new ATOM 187 N ALA A 12 131.970 -13.756 5.689 1.00 0.00 N ATOM 188 CA ALA A 12 132.451 -15.154 5.954 1.00 0.00 C ATOM 189 C ALA A 12 133.508 -15.565 4.919 1.00 0.00 C ATOM 190 O ALA A 12 134.164 -16.576 5.065 1.00 0.00 O ATOM 191 CB ALA A 12 131.264 -16.113 5.867 1.00 0.00 C ATOM 0 H ALA A 12 131.411 -13.650 4.843 1.00 0.00 H new ATOM 0 HA ALA A 12 132.898 -15.193 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 12 131.604 -17.131 6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 12 130.516 -15.835 6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 12 130.824 -16.058 4.871 1.00 0.00 H new ATOM 197 N GLU A 13 133.688 -14.790 3.881 1.00 0.00 N ATOM 198 CA GLU A 13 134.715 -15.144 2.851 1.00 0.00 C ATOM 199 C GLU A 13 135.191 -13.861 2.149 1.00 0.00 C ATOM 200 O GLU A 13 134.446 -12.906 2.048 1.00 0.00 O ATOM 201 CB GLU A 13 134.095 -16.096 1.821 1.00 0.00 C ATOM 202 CG GLU A 13 132.789 -15.498 1.297 1.00 0.00 C ATOM 203 CD GLU A 13 132.228 -16.381 0.181 1.00 0.00 C ATOM 204 OE1 GLU A 13 132.909 -17.316 -0.207 1.00 0.00 O ATOM 205 OE2 GLU A 13 131.126 -16.107 -0.265 1.00 0.00 O ATOM 0 H GLU A 13 133.171 -13.929 3.701 1.00 0.00 H new ATOM 0 HA GLU A 13 135.564 -15.633 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 13 134.789 -16.260 0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 13 133.906 -17.068 2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 13 132.065 -15.416 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 13 132.964 -14.489 0.922 1.00 0.00 H new ATOM 212 N PRO A 14 136.407 -13.827 1.648 1.00 0.00 N ATOM 213 CA PRO A 14 136.937 -12.629 0.935 1.00 0.00 C ATOM 214 C PRO A 14 135.883 -11.989 0.023 1.00 0.00 C ATOM 215 O PRO A 14 134.907 -12.612 -0.343 1.00 0.00 O ATOM 216 CB PRO A 14 138.097 -13.195 0.116 1.00 0.00 C ATOM 217 CG PRO A 14 138.622 -14.327 0.941 1.00 0.00 C ATOM 218 CD PRO A 14 137.416 -14.909 1.698 1.00 0.00 C ATOM 0 HA PRO A 14 137.235 -11.835 1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 14 137.761 -13.539 -0.862 1.00 0.00 H new ATOM 0 HB3 PRO A 14 138.865 -12.441 -0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 14 139.087 -15.085 0.310 1.00 0.00 H new ATOM 0 HG3 PRO A 14 139.386 -13.979 1.636 1.00 0.00 H new ATOM 0 HD2 PRO A 14 137.049 -15.820 1.224 1.00 0.00 H new ATOM 0 HD3 PRO A 14 137.675 -15.166 2.725 1.00 0.00 H new ATOM 226 N MET A 15 136.067 -10.747 -0.344 1.00 0.00 N ATOM 227 CA MET A 15 135.069 -10.073 -1.227 1.00 0.00 C ATOM 228 C MET A 15 135.431 -10.319 -2.695 1.00 0.00 C ATOM 229 O MET A 15 134.603 -10.209 -3.576 1.00 0.00 O ATOM 230 CB MET A 15 135.074 -8.566 -0.945 1.00 0.00 C ATOM 231 CG MET A 15 136.518 -8.061 -0.854 1.00 0.00 C ATOM 232 SD MET A 15 136.549 -6.268 -1.116 1.00 0.00 S ATOM 233 CE MET A 15 136.142 -5.765 0.575 1.00 0.00 C ATOM 0 H MET A 15 136.864 -10.171 -0.071 1.00 0.00 H new ATOM 0 HA MET A 15 134.077 -10.478 -1.027 1.00 0.00 H new ATOM 0 HB2 MET A 15 134.543 -8.037 -1.736 1.00 0.00 H new ATOM 0 HB3 MET A 15 134.547 -8.359 -0.014 1.00 0.00 H new ATOM 0 HG2 MET A 15 136.939 -8.304 0.122 1.00 0.00 H new ATOM 0 HG3 MET A 15 137.136 -8.559 -1.601 1.00 0.00 H new ATOM 0 HE1 MET A 15 135.542 -4.855 0.550 1.00 0.00 H new ATOM 0 HE2 MET A 15 135.578 -6.559 1.065 1.00 0.00 H new ATOM 0 HE3 MET A 15 137.061 -5.578 1.130 1.00 0.00 H new ATOM 243 N GLY A 16 136.665 -10.656 -2.963 1.00 0.00 N ATOM 244 CA GLY A 16 137.082 -10.916 -4.371 1.00 0.00 C ATOM 245 C GLY A 16 136.614 -9.771 -5.273 1.00 0.00 C ATOM 246 O GLY A 16 136.692 -8.614 -4.914 1.00 0.00 O ATOM 0 H GLY A 16 137.402 -10.762 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 16 138.166 -11.014 -4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 16 136.659 -11.859 -4.717 1.00 0.00 H new ATOM 250 N GLU A 17 136.150 -10.090 -6.458 1.00 0.00 N ATOM 251 CA GLU A 17 135.698 -9.031 -7.419 1.00 0.00 C ATOM 252 C GLU A 17 134.168 -8.998 -7.498 1.00 0.00 C ATOM 253 O GLU A 17 133.604 -8.658 -8.517 1.00 0.00 O ATOM 254 CB GLU A 17 136.271 -9.338 -8.805 1.00 0.00 C ATOM 255 CG GLU A 17 137.784 -9.107 -8.790 1.00 0.00 C ATOM 256 CD GLU A 17 138.369 -9.413 -10.171 1.00 0.00 C ATOM 257 OE1 GLU A 17 137.637 -9.926 -11.001 1.00 0.00 O ATOM 258 OE2 GLU A 17 139.540 -9.137 -10.369 1.00 0.00 O ATOM 0 H GLU A 17 136.064 -11.046 -6.804 1.00 0.00 H new ATOM 0 HA GLU A 17 136.052 -8.060 -7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 17 136.052 -10.369 -9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 17 135.802 -8.701 -9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 17 138.001 -8.075 -8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 17 138.251 -9.743 -8.038 1.00 0.00 H new ATOM 265 N LYS A 18 133.488 -9.347 -6.438 1.00 0.00 N ATOM 266 CA LYS A 18 131.997 -9.325 -6.475 1.00 0.00 C ATOM 267 C LYS A 18 131.532 -7.886 -6.762 1.00 0.00 C ATOM 268 O LYS A 18 132.205 -6.939 -6.408 1.00 0.00 O ATOM 269 CB LYS A 18 131.451 -9.778 -5.114 1.00 0.00 C ATOM 270 CG LYS A 18 131.699 -11.276 -4.925 1.00 0.00 C ATOM 271 CD LYS A 18 130.921 -11.766 -3.701 1.00 0.00 C ATOM 272 CE LYS A 18 131.333 -13.202 -3.369 1.00 0.00 C ATOM 273 NZ LYS A 18 131.112 -14.070 -4.560 1.00 0.00 N ATOM 0 H LYS A 18 133.898 -9.645 -5.553 1.00 0.00 H new ATOM 0 HA LYS A 18 131.631 -9.995 -7.253 1.00 0.00 H new ATOM 0 HB2 LYS A 18 131.934 -9.217 -4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 18 130.383 -9.567 -5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 18 131.384 -11.824 -5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 18 132.764 -11.466 -4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 18 131.117 -11.115 -2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 18 129.850 -11.721 -3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 18 132.382 -13.232 -3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 18 130.753 -13.572 -2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 131.094 -15.067 -4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 130.205 -13.824 -5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 131.883 -13.925 -5.243 1.00 0.00 H new ATOM 287 N PRO A 19 130.401 -7.715 -7.413 1.00 0.00 N ATOM 288 CA PRO A 19 129.869 -6.357 -7.764 1.00 0.00 C ATOM 289 C PRO A 19 129.481 -5.529 -6.529 1.00 0.00 C ATOM 290 O PRO A 19 129.221 -6.054 -5.466 1.00 0.00 O ATOM 291 CB PRO A 19 128.637 -6.659 -8.639 1.00 0.00 C ATOM 292 CG PRO A 19 128.217 -8.039 -8.246 1.00 0.00 C ATOM 293 CD PRO A 19 129.503 -8.784 -7.893 1.00 0.00 C ATOM 0 HA PRO A 19 130.620 -5.751 -8.270 1.00 0.00 H new ATOM 0 HB2 PRO A 19 127.840 -5.937 -8.461 1.00 0.00 H new ATOM 0 HB3 PRO A 19 128.883 -6.608 -9.700 1.00 0.00 H new ATOM 0 HG2 PRO A 19 127.535 -8.012 -7.396 1.00 0.00 H new ATOM 0 HG3 PRO A 19 127.690 -8.534 -9.062 1.00 0.00 H new ATOM 0 HD2 PRO A 19 129.332 -9.539 -7.125 1.00 0.00 H new ATOM 0 HD3 PRO A 19 129.919 -9.299 -8.759 1.00 0.00 H new ATOM 301 N VAL A 20 129.457 -4.230 -6.676 1.00 0.00 N ATOM 302 CA VAL A 20 129.108 -3.341 -5.531 1.00 0.00 C ATOM 303 C VAL A 20 127.744 -3.725 -4.946 1.00 0.00 C ATOM 304 O VAL A 20 127.546 -3.717 -3.747 1.00 0.00 O ATOM 305 CB VAL A 20 129.074 -1.883 -6.013 1.00 0.00 C ATOM 306 CG1 VAL A 20 128.197 -1.763 -7.263 1.00 0.00 C ATOM 307 CG2 VAL A 20 128.505 -0.983 -4.907 1.00 0.00 C ATOM 0 H VAL A 20 129.666 -3.744 -7.548 1.00 0.00 H new ATOM 0 HA VAL A 20 129.862 -3.455 -4.752 1.00 0.00 H new ATOM 0 HB VAL A 20 130.090 -1.569 -6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 20 128.179 -0.726 -7.597 1.00 0.00 H new ATOM 0 HG12 VAL A 20 128.604 -2.392 -8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 20 127.183 -2.086 -7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 20 128.483 0.050 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 20 127.493 -1.305 -4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 20 129.134 -1.055 -4.020 1.00 0.00 H new ATOM 317 N GLY A 21 126.795 -4.037 -5.790 1.00 0.00 N ATOM 318 CA GLY A 21 125.435 -4.396 -5.297 1.00 0.00 C ATOM 319 C GLY A 21 125.504 -5.634 -4.400 1.00 0.00 C ATOM 320 O GLY A 21 124.509 -6.066 -3.854 1.00 0.00 O ATOM 0 H GLY A 21 126.906 -4.058 -6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 21 125.010 -3.560 -4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 21 124.773 -4.587 -6.142 1.00 0.00 H new ATOM 324 N SER A 22 126.665 -6.210 -4.231 1.00 0.00 N ATOM 325 CA SER A 22 126.771 -7.411 -3.357 1.00 0.00 C ATOM 326 C SER A 22 126.842 -6.958 -1.899 1.00 0.00 C ATOM 327 O SER A 22 126.548 -7.707 -0.989 1.00 0.00 O ATOM 328 CB SER A 22 128.039 -8.191 -3.707 1.00 0.00 C ATOM 329 OG SER A 22 127.918 -8.717 -5.023 1.00 0.00 O ATOM 0 H SER A 22 127.538 -5.902 -4.658 1.00 0.00 H new ATOM 0 HA SER A 22 125.902 -8.052 -3.506 1.00 0.00 H new ATOM 0 HB2 SER A 22 128.910 -7.539 -3.642 1.00 0.00 H new ATOM 0 HB3 SER A 22 128.192 -9.000 -2.992 1.00 0.00 H new ATOM 0 HG SER A 22 128.141 -9.671 -5.016 1.00 0.00 H new ATOM 335 N LEU A 23 127.233 -5.733 -1.671 1.00 0.00 N ATOM 336 CA LEU A 23 127.324 -5.233 -0.274 1.00 0.00 C ATOM 337 C LEU A 23 125.930 -5.186 0.350 1.00 0.00 C ATOM 338 O LEU A 23 124.959 -4.812 -0.279 1.00 0.00 O ATOM 339 CB LEU A 23 127.933 -3.830 -0.268 1.00 0.00 C ATOM 340 CG LEU A 23 129.346 -3.872 -0.863 1.00 0.00 C ATOM 341 CD1 LEU A 23 129.897 -2.445 -0.945 1.00 0.00 C ATOM 342 CD2 LEU A 23 130.269 -4.736 0.022 1.00 0.00 C ATOM 0 H LEU A 23 127.492 -5.060 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 23 127.956 -5.905 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 23 127.306 -3.150 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 23 127.969 -3.444 0.751 1.00 0.00 H new ATOM 0 HG LEU A 23 129.306 -4.310 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 23 130.902 -2.467 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 23 129.249 -1.841 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 23 129.933 -2.011 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 23 131.270 -4.759 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 23 130.316 -4.310 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 23 129.874 -5.751 0.078 1.00 0.00 H new ATOM 354 N ALA A 24 125.839 -5.561 1.589 1.00 0.00 N ATOM 355 CA ALA A 24 124.520 -5.544 2.278 1.00 0.00 C ATOM 356 C ALA A 24 124.014 -4.101 2.398 1.00 0.00 C ATOM 357 O ALA A 24 124.751 -3.195 2.732 1.00 0.00 O ATOM 358 CB ALA A 24 124.669 -6.151 3.672 1.00 0.00 C ATOM 0 H ALA A 24 126.622 -5.880 2.159 1.00 0.00 H new ATOM 0 HA ALA A 24 123.803 -6.127 1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 24 123.704 -6.140 4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 24 125.021 -7.179 3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 24 125.388 -5.568 4.248 1.00 0.00 H new ATOM 364 N GLY A 25 122.753 -3.896 2.125 1.00 0.00 N ATOM 365 CA GLY A 25 122.166 -2.521 2.214 1.00 0.00 C ATOM 366 C GLY A 25 122.090 -1.902 0.815 1.00 0.00 C ATOM 367 O GLY A 25 121.335 -0.980 0.577 1.00 0.00 O ATOM 0 H GLY A 25 122.098 -4.625 1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 25 121.171 -2.568 2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 25 122.776 -1.896 2.866 1.00 0.00 H new ATOM 371 N ILE A 26 122.857 -2.410 -0.117 1.00 0.00 N ATOM 372 CA ILE A 26 122.821 -1.858 -1.507 1.00 0.00 C ATOM 373 C ILE A 26 121.923 -2.758 -2.354 1.00 0.00 C ATOM 374 O ILE A 26 122.215 -3.920 -2.549 1.00 0.00 O ATOM 375 CB ILE A 26 124.234 -1.858 -2.100 1.00 0.00 C ATOM 376 CG1 ILE A 26 125.201 -1.116 -1.164 1.00 0.00 C ATOM 377 CG2 ILE A 26 124.215 -1.163 -3.463 1.00 0.00 C ATOM 378 CD1 ILE A 26 124.644 0.266 -0.805 1.00 0.00 C ATOM 0 H ILE A 26 123.507 -3.183 0.024 1.00 0.00 H new ATOM 0 HA ILE A 26 122.439 -0.837 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 26 124.570 -2.889 -2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 26 125.357 -1.699 -0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 26 126.173 -1.009 -1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 26 125.220 -1.163 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 26 123.540 -1.695 -4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 26 123.872 -0.135 -3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 26 125.341 0.778 -0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 26 124.511 0.852 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 26 123.683 0.152 -0.303 1.00 0.00 H new ATOM 390 N GLY A 27 120.830 -2.248 -2.865 1.00 0.00 N ATOM 391 CA GLY A 27 119.930 -3.096 -3.701 1.00 0.00 C ATOM 392 C GLY A 27 120.307 -2.941 -5.176 1.00 0.00 C ATOM 393 O GLY A 27 121.199 -2.196 -5.526 1.00 0.00 O ATOM 0 H GLY A 27 120.524 -1.283 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 27 120.015 -4.140 -3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 27 118.891 -2.804 -3.548 1.00 0.00 H new ATOM 397 N GLU A 28 119.649 -3.666 -6.038 1.00 0.00 N ATOM 398 CA GLU A 28 119.984 -3.587 -7.489 1.00 0.00 C ATOM 399 C GLU A 28 119.835 -2.147 -7.992 1.00 0.00 C ATOM 400 O GLU A 28 120.630 -1.676 -8.780 1.00 0.00 O ATOM 401 CB GLU A 28 119.032 -4.488 -8.277 1.00 0.00 C ATOM 402 CG GLU A 28 119.315 -5.953 -7.941 1.00 0.00 C ATOM 403 CD GLU A 28 120.675 -6.360 -8.510 1.00 0.00 C ATOM 404 OE1 GLU A 28 121.157 -5.669 -9.393 1.00 0.00 O ATOM 405 OE2 GLU A 28 121.211 -7.357 -8.056 1.00 0.00 O ATOM 0 H GLU A 28 118.894 -4.310 -5.801 1.00 0.00 H new ATOM 0 HA GLU A 28 121.015 -3.912 -7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 28 117.998 -4.242 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 28 119.157 -4.319 -9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 28 119.304 -6.097 -6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 28 118.532 -6.589 -8.355 1.00 0.00 H new ATOM 412 N VAL A 29 118.826 -1.447 -7.555 1.00 0.00 N ATOM 413 CA VAL A 29 118.642 -0.045 -8.031 1.00 0.00 C ATOM 414 C VAL A 29 119.765 0.833 -7.474 1.00 0.00 C ATOM 415 O VAL A 29 120.335 1.649 -8.173 1.00 0.00 O ATOM 416 CB VAL A 29 117.282 0.479 -7.553 1.00 0.00 C ATOM 417 CG1 VAL A 29 117.169 1.981 -7.841 1.00 0.00 C ATOM 418 CG2 VAL A 29 116.162 -0.275 -8.279 1.00 0.00 C ATOM 0 H VAL A 29 118.125 -1.780 -6.894 1.00 0.00 H new ATOM 0 HA VAL A 29 118.674 -0.018 -9.120 1.00 0.00 H new ATOM 0 HB VAL A 29 117.191 0.318 -6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 29 116.200 2.345 -7.499 1.00 0.00 H new ATOM 0 HG12 VAL A 29 117.963 2.513 -7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 29 117.263 2.154 -8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 29 115.195 0.096 -7.940 1.00 0.00 H new ATOM 0 HG22 VAL A 29 116.255 -0.118 -9.354 1.00 0.00 H new ATOM 0 HG23 VAL A 29 116.239 -1.340 -8.060 1.00 0.00 H new ATOM 428 N LEU A 30 120.084 0.675 -6.221 1.00 0.00 N ATOM 429 CA LEU A 30 121.164 1.497 -5.606 1.00 0.00 C ATOM 430 C LEU A 30 122.511 1.115 -6.216 1.00 0.00 C ATOM 431 O LEU A 30 123.354 1.954 -6.466 1.00 0.00 O ATOM 432 CB LEU A 30 121.210 1.240 -4.097 1.00 0.00 C ATOM 433 CG LEU A 30 119.869 1.613 -3.452 1.00 0.00 C ATOM 434 CD1 LEU A 30 119.913 1.257 -1.960 1.00 0.00 C ATOM 435 CD2 LEU A 30 119.602 3.121 -3.615 1.00 0.00 C ATOM 0 H LEU A 30 119.640 0.007 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 30 120.960 2.551 -5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 30 121.433 0.190 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 30 122.013 1.823 -3.646 1.00 0.00 H new ATOM 0 HG LEU A 30 119.068 1.059 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 30 118.963 1.520 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 30 120.089 0.187 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 30 120.718 1.811 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 30 118.647 3.373 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 30 120.399 3.686 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 30 119.570 3.372 -4.675 1.00 0.00 H new ATOM 447 N GLY A 31 122.720 -0.149 -6.449 1.00 0.00 N ATOM 448 CA GLY A 31 124.015 -0.593 -7.034 1.00 0.00 C ATOM 449 C GLY A 31 124.225 0.090 -8.386 1.00 0.00 C ATOM 450 O GLY A 31 125.329 0.441 -8.754 1.00 0.00 O ATOM 0 H GLY A 31 122.050 -0.895 -6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 31 124.835 -0.347 -6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 31 124.018 -1.676 -7.157 1.00 0.00 H new ATOM 454 N LYS A 32 123.171 0.267 -9.134 1.00 0.00 N ATOM 455 CA LYS A 32 123.294 0.916 -10.471 1.00 0.00 C ATOM 456 C LYS A 32 123.733 2.379 -10.325 1.00 0.00 C ATOM 457 O LYS A 32 124.517 2.874 -11.110 1.00 0.00 O ATOM 458 CB LYS A 32 121.941 0.854 -11.181 1.00 0.00 C ATOM 459 CG LYS A 32 122.090 1.352 -12.619 1.00 0.00 C ATOM 460 CD LYS A 32 120.731 1.286 -13.318 1.00 0.00 C ATOM 461 CE LYS A 32 120.858 1.826 -14.744 1.00 0.00 C ATOM 462 NZ LYS A 32 119.577 1.603 -15.473 1.00 0.00 N ATOM 0 H LYS A 32 122.224 -0.011 -8.876 1.00 0.00 H new ATOM 0 HA LYS A 32 124.048 0.387 -11.055 1.00 0.00 H new ATOM 0 HB2 LYS A 32 121.564 -0.169 -11.177 1.00 0.00 H new ATOM 0 HB3 LYS A 32 121.212 1.464 -10.648 1.00 0.00 H new ATOM 0 HG2 LYS A 32 122.466 2.375 -12.625 1.00 0.00 H new ATOM 0 HG3 LYS A 32 122.818 0.742 -13.154 1.00 0.00 H new ATOM 0 HD2 LYS A 32 120.372 0.257 -13.339 1.00 0.00 H new ATOM 0 HD3 LYS A 32 119.997 1.869 -12.762 1.00 0.00 H new ATOM 0 HE2 LYS A 32 121.097 2.889 -14.722 1.00 0.00 H new ATOM 0 HE3 LYS A 32 121.676 1.326 -15.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 119.661 1.969 -16.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 119.368 0.585 -15.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 118.807 2.099 -14.981 1.00 0.00 H new ATOM 476 N LYS A 33 123.225 3.088 -9.351 1.00 0.00 N ATOM 477 CA LYS A 33 123.615 4.523 -9.205 1.00 0.00 C ATOM 478 C LYS A 33 125.092 4.631 -8.814 1.00 0.00 C ATOM 479 O LYS A 33 125.841 5.392 -9.395 1.00 0.00 O ATOM 480 CB LYS A 33 122.756 5.169 -8.118 1.00 0.00 C ATOM 481 CG LYS A 33 121.319 5.300 -8.623 1.00 0.00 C ATOM 482 CD LYS A 33 120.455 5.947 -7.540 1.00 0.00 C ATOM 483 CE LYS A 33 119.019 6.075 -8.047 1.00 0.00 C ATOM 484 NZ LYS A 33 119.003 6.882 -9.300 1.00 0.00 N ATOM 0 H LYS A 33 122.564 2.741 -8.656 1.00 0.00 H new ATOM 0 HA LYS A 33 123.460 5.034 -10.155 1.00 0.00 H new ATOM 0 HB2 LYS A 33 122.782 4.565 -7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 33 123.154 6.150 -7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 33 121.295 5.903 -9.531 1.00 0.00 H new ATOM 0 HG3 LYS A 33 120.922 4.318 -8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 33 120.480 5.345 -6.632 1.00 0.00 H new ATOM 0 HD3 LYS A 33 120.850 6.929 -7.282 1.00 0.00 H new ATOM 0 HE2 LYS A 33 118.599 5.087 -8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 33 118.396 6.549 -7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 118.059 7.297 -9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 119.709 7.643 -9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 119.231 6.270 -10.110 1.00 0.00 H new ATOM 498 N LEU A 34 125.528 3.867 -7.852 1.00 0.00 N ATOM 499 CA LEU A 34 126.964 3.925 -7.458 1.00 0.00 C ATOM 500 C LEU A 34 127.813 3.547 -8.677 1.00 0.00 C ATOM 501 O LEU A 34 128.851 4.121 -8.938 1.00 0.00 O ATOM 502 CB LEU A 34 127.222 2.944 -6.308 1.00 0.00 C ATOM 503 CG LEU A 34 126.549 3.446 -5.017 1.00 0.00 C ATOM 504 CD1 LEU A 34 126.426 2.284 -4.027 1.00 0.00 C ATOM 505 CD2 LEU A 34 127.386 4.567 -4.369 1.00 0.00 C ATOM 0 H LEU A 34 124.956 3.208 -7.324 1.00 0.00 H new ATOM 0 HA LEU A 34 127.226 4.928 -7.122 1.00 0.00 H new ATOM 0 HB2 LEU A 34 126.836 1.958 -6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 34 128.295 2.834 -6.148 1.00 0.00 H new ATOM 0 HG LEU A 34 125.563 3.838 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 34 125.950 2.635 -3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 34 125.822 1.492 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 34 127.418 1.897 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 34 126.894 4.908 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 34 128.378 4.186 -4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 34 127.479 5.400 -5.065 1.00 0.00 H new ATOM 517 N GLU A 35 127.359 2.577 -9.419 1.00 0.00 N ATOM 518 CA GLU A 35 128.122 2.137 -10.627 1.00 0.00 C ATOM 519 C GLU A 35 128.263 3.304 -11.610 1.00 0.00 C ATOM 520 O GLU A 35 129.304 3.502 -12.204 1.00 0.00 O ATOM 521 CB GLU A 35 127.381 0.973 -11.294 1.00 0.00 C ATOM 522 CG GLU A 35 128.144 0.505 -12.535 1.00 0.00 C ATOM 523 CD GLU A 35 127.427 -0.700 -13.148 1.00 0.00 C ATOM 524 OE1 GLU A 35 126.525 -1.214 -12.507 1.00 0.00 O ATOM 525 OE2 GLU A 35 127.791 -1.087 -14.245 1.00 0.00 O ATOM 0 H GLU A 35 126.493 2.068 -9.244 1.00 0.00 H new ATOM 0 HA GLU A 35 129.118 1.810 -10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 35 127.276 0.148 -10.590 1.00 0.00 H new ATOM 0 HB3 GLU A 35 126.374 1.285 -11.573 1.00 0.00 H new ATOM 0 HG2 GLU A 35 128.207 1.314 -13.263 1.00 0.00 H new ATOM 0 HG3 GLU A 35 129.166 0.237 -12.267 1.00 0.00 H new ATOM 532 N GLU A 36 127.230 4.082 -11.784 1.00 0.00 N ATOM 533 CA GLU A 36 127.317 5.237 -12.726 1.00 0.00 C ATOM 534 C GLU A 36 128.276 6.275 -12.144 1.00 0.00 C ATOM 535 O GLU A 36 128.772 7.140 -12.839 1.00 0.00 O ATOM 536 CB GLU A 36 125.935 5.870 -12.905 1.00 0.00 C ATOM 537 CG GLU A 36 125.032 4.923 -13.697 1.00 0.00 C ATOM 538 CD GLU A 36 123.653 5.564 -13.873 1.00 0.00 C ATOM 539 OE1 GLU A 36 123.419 6.592 -13.260 1.00 0.00 O ATOM 540 OE2 GLU A 36 122.857 5.014 -14.613 1.00 0.00 O ATOM 0 H GLU A 36 126.331 3.969 -11.316 1.00 0.00 H new ATOM 0 HA GLU A 36 127.678 4.892 -13.695 1.00 0.00 H new ATOM 0 HB2 GLU A 36 125.492 6.081 -11.932 1.00 0.00 H new ATOM 0 HB3 GLU A 36 126.026 6.823 -13.427 1.00 0.00 H new ATOM 0 HG2 GLU A 36 125.474 4.711 -14.671 1.00 0.00 H new ATOM 0 HG3 GLU A 36 124.939 3.971 -13.175 1.00 0.00 H new ATOM 547 N ARG A 37 128.516 6.208 -10.865 1.00 0.00 N ATOM 548 CA ARG A 37 129.419 7.205 -10.218 1.00 0.00 C ATOM 549 C ARG A 37 130.873 6.714 -10.240 1.00 0.00 C ATOM 550 O ARG A 37 131.763 7.396 -9.773 1.00 0.00 O ATOM 551 CB ARG A 37 128.976 7.430 -8.770 1.00 0.00 C ATOM 552 CG ARG A 37 127.615 8.148 -8.746 1.00 0.00 C ATOM 553 CD ARG A 37 127.744 9.576 -9.313 1.00 0.00 C ATOM 554 NE ARG A 37 126.795 10.490 -8.599 1.00 0.00 N ATOM 555 CZ ARG A 37 125.538 10.171 -8.439 1.00 0.00 C ATOM 556 NH1 ARG A 37 125.031 9.142 -9.059 1.00 0.00 N ATOM 557 NH2 ARG A 37 124.770 10.924 -7.699 1.00 0.00 N ATOM 0 H ARG A 37 128.126 5.505 -10.237 1.00 0.00 H new ATOM 0 HA ARG A 37 129.360 8.141 -10.773 1.00 0.00 H new ATOM 0 HB2 ARG A 37 128.903 6.475 -8.250 1.00 0.00 H new ATOM 0 HB3 ARG A 37 129.720 8.025 -8.241 1.00 0.00 H new ATOM 0 HG2 ARG A 37 126.889 7.583 -9.331 1.00 0.00 H new ATOM 0 HG3 ARG A 37 127.238 8.189 -7.724 1.00 0.00 H new ATOM 0 HD2 ARG A 37 128.767 9.934 -9.195 1.00 0.00 H new ATOM 0 HD3 ARG A 37 127.528 9.574 -10.381 1.00 0.00 H new ATOM 0 HE ARG A 37 127.137 11.378 -8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 37 125.617 8.578 -9.675 1.00 0.00 H new ATOM 0 HH12 ARG A 37 124.049 8.901 -8.928 1.00 0.00 H new ATOM 0 HH21 ARG A 37 125.152 11.756 -7.250 1.00 0.00 H new ATOM 0 HH22 ARG A 37 123.788 10.680 -7.570 1.00 0.00 H new ATOM 571 N GLY A 38 131.135 5.559 -10.814 1.00 0.00 N ATOM 572 CA GLY A 38 132.552 5.061 -10.903 1.00 0.00 C ATOM 573 C GLY A 38 132.822 3.929 -9.906 1.00 0.00 C ATOM 574 O GLY A 38 133.939 3.465 -9.792 1.00 0.00 O ATOM 0 H GLY A 38 130.433 4.942 -11.223 1.00 0.00 H new ATOM 0 HA2 GLY A 38 132.750 4.709 -11.915 1.00 0.00 H new ATOM 0 HA3 GLY A 38 133.239 5.885 -10.712 1.00 0.00 H new ATOM 578 N PHE A 39 131.828 3.467 -9.195 1.00 0.00 N ATOM 579 CA PHE A 39 132.051 2.347 -8.222 1.00 0.00 C ATOM 580 C PHE A 39 131.502 1.057 -8.829 1.00 0.00 C ATOM 581 O PHE A 39 130.461 0.567 -8.437 1.00 0.00 O ATOM 582 CB PHE A 39 131.292 2.650 -6.933 1.00 0.00 C ATOM 583 CG PHE A 39 131.892 3.859 -6.261 1.00 0.00 C ATOM 584 CD1 PHE A 39 131.411 5.131 -6.571 1.00 0.00 C ATOM 585 CD2 PHE A 39 132.929 3.707 -5.337 1.00 0.00 C ATOM 586 CE1 PHE A 39 131.968 6.260 -5.959 1.00 0.00 C ATOM 587 CE2 PHE A 39 133.487 4.834 -4.721 1.00 0.00 C ATOM 588 CZ PHE A 39 133.008 6.112 -5.034 1.00 0.00 C ATOM 0 H PHE A 39 130.870 3.814 -9.243 1.00 0.00 H new ATOM 0 HA PHE A 39 133.115 2.240 -8.009 1.00 0.00 H new ATOM 0 HB2 PHE A 39 130.240 2.829 -7.153 1.00 0.00 H new ATOM 0 HB3 PHE A 39 131.336 1.791 -6.264 1.00 0.00 H new ATOM 0 HD1 PHE A 39 130.608 5.245 -7.284 1.00 0.00 H new ATOM 0 HD2 PHE A 39 133.300 2.721 -5.098 1.00 0.00 H new ATOM 0 HE1 PHE A 39 131.596 7.245 -6.200 1.00 0.00 H new ATOM 0 HE2 PHE A 39 134.287 4.717 -4.005 1.00 0.00 H new ATOM 0 HZ PHE A 39 133.440 6.982 -4.562 1.00 0.00 H new ATOM 598 N ASP A 40 132.188 0.513 -9.798 1.00 0.00 N ATOM 599 CA ASP A 40 131.691 -0.735 -10.448 1.00 0.00 C ATOM 600 C ASP A 40 132.084 -1.967 -9.625 1.00 0.00 C ATOM 601 O ASP A 40 131.595 -3.053 -9.867 1.00 0.00 O ATOM 602 CB ASP A 40 132.296 -0.850 -11.849 1.00 0.00 C ATOM 603 CG ASP A 40 133.822 -0.908 -11.747 1.00 0.00 C ATOM 604 OD1 ASP A 40 134.350 -0.402 -10.772 1.00 0.00 O ATOM 605 OD2 ASP A 40 134.435 -1.460 -12.647 1.00 0.00 O ATOM 0 H ASP A 40 133.067 0.876 -10.167 1.00 0.00 H new ATOM 0 HA ASP A 40 130.604 -0.688 -10.511 1.00 0.00 H new ATOM 0 HB2 ASP A 40 131.921 -1.745 -12.346 1.00 0.00 H new ATOM 0 HB3 ASP A 40 131.994 0.003 -12.457 1.00 0.00 H new ATOM 610 N LYS A 41 132.969 -1.821 -8.664 1.00 0.00 N ATOM 611 CA LYS A 41 133.397 -3.001 -7.839 1.00 0.00 C ATOM 612 C LYS A 41 133.303 -2.652 -6.352 1.00 0.00 C ATOM 613 O LYS A 41 133.426 -1.509 -5.958 1.00 0.00 O ATOM 614 CB LYS A 41 134.844 -3.363 -8.178 1.00 0.00 C ATOM 615 CG LYS A 41 134.977 -3.720 -9.667 1.00 0.00 C ATOM 616 CD LYS A 41 134.398 -5.112 -9.946 1.00 0.00 C ATOM 617 CE LYS A 41 134.768 -5.536 -11.369 1.00 0.00 C ATOM 618 NZ LYS A 41 134.128 -4.607 -12.343 1.00 0.00 N ATOM 0 H LYS A 41 133.413 -0.937 -8.415 1.00 0.00 H new ATOM 0 HA LYS A 41 132.745 -3.846 -8.058 1.00 0.00 H new ATOM 0 HB2 LYS A 41 135.500 -2.526 -7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 41 135.167 -4.205 -7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 41 134.457 -2.977 -10.272 1.00 0.00 H new ATOM 0 HG3 LYS A 41 136.026 -3.692 -9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 41 134.788 -5.832 -9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 41 133.314 -5.098 -9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 41 135.851 -5.523 -11.494 1.00 0.00 H new ATOM 0 HE3 LYS A 41 134.438 -6.558 -11.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 134.220 -4.994 -13.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 133.121 -4.498 -12.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 134.596 -3.680 -12.297 1.00 0.00 H new ATOM 632 N ALA A 42 133.068 -3.635 -5.528 1.00 0.00 N ATOM 633 CA ALA A 42 132.942 -3.384 -4.062 1.00 0.00 C ATOM 634 C ALA A 42 134.264 -2.885 -3.456 1.00 0.00 C ATOM 635 O ALA A 42 134.265 -2.029 -2.594 1.00 0.00 O ATOM 636 CB ALA A 42 132.535 -4.684 -3.366 1.00 0.00 C ATOM 0 H ALA A 42 132.957 -4.609 -5.808 1.00 0.00 H new ATOM 0 HA ALA A 42 132.187 -2.612 -3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 42 132.441 -4.509 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 42 131.579 -5.026 -3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 42 133.295 -5.445 -3.544 1.00 0.00 H new ATOM 642 N TYR A 43 135.388 -3.422 -3.861 1.00 0.00 N ATOM 643 CA TYR A 43 136.680 -2.979 -3.251 1.00 0.00 C ATOM 644 C TYR A 43 136.906 -1.478 -3.474 1.00 0.00 C ATOM 645 O TYR A 43 137.660 -0.854 -2.754 1.00 0.00 O ATOM 646 CB TYR A 43 137.857 -3.793 -3.806 1.00 0.00 C ATOM 647 CG TYR A 43 138.005 -3.602 -5.295 1.00 0.00 C ATOM 648 CD1 TYR A 43 138.617 -2.448 -5.793 1.00 0.00 C ATOM 649 CD2 TYR A 43 137.562 -4.595 -6.177 1.00 0.00 C ATOM 650 CE1 TYR A 43 138.784 -2.284 -7.172 1.00 0.00 C ATOM 651 CE2 TYR A 43 137.726 -4.430 -7.556 1.00 0.00 C ATOM 652 CZ TYR A 43 138.338 -3.274 -8.054 1.00 0.00 C ATOM 653 OH TYR A 43 138.504 -3.113 -9.414 1.00 0.00 O ATOM 0 H TYR A 43 135.468 -4.141 -4.580 1.00 0.00 H new ATOM 0 HA TYR A 43 136.621 -3.157 -2.177 1.00 0.00 H new ATOM 0 HB2 TYR A 43 138.777 -3.492 -3.306 1.00 0.00 H new ATOM 0 HB3 TYR A 43 137.706 -4.850 -3.586 1.00 0.00 H new ATOM 0 HD1 TYR A 43 138.961 -1.683 -5.113 1.00 0.00 H new ATOM 0 HD2 TYR A 43 137.093 -5.489 -5.792 1.00 0.00 H new ATOM 0 HE1 TYR A 43 139.258 -1.393 -7.556 1.00 0.00 H new ATOM 0 HE2 TYR A 43 137.381 -5.194 -8.236 1.00 0.00 H new ATOM 0 HH TYR A 43 138.367 -3.973 -9.864 1.00 0.00 H new ATOM 663 N VAL A 44 136.244 -0.876 -4.426 1.00 0.00 N ATOM 664 CA VAL A 44 136.421 0.595 -4.622 1.00 0.00 C ATOM 665 C VAL A 44 135.575 1.310 -3.562 1.00 0.00 C ATOM 666 O VAL A 44 135.909 2.375 -3.074 1.00 0.00 O ATOM 667 CB VAL A 44 135.951 1.006 -6.028 1.00 0.00 C ATOM 668 CG1 VAL A 44 136.106 2.520 -6.216 1.00 0.00 C ATOM 669 CG2 VAL A 44 136.802 0.293 -7.080 1.00 0.00 C ATOM 0 H VAL A 44 135.596 -1.331 -5.069 1.00 0.00 H new ATOM 0 HA VAL A 44 137.472 0.865 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 44 134.903 0.730 -6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 44 135.770 2.799 -7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 44 135.505 3.042 -5.472 1.00 0.00 H new ATOM 0 HG13 VAL A 44 137.153 2.796 -6.095 1.00 0.00 H new ATOM 0 HG21 VAL A 44 136.469 0.584 -8.076 1.00 0.00 H new ATOM 0 HG22 VAL A 44 137.848 0.571 -6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 44 136.697 -0.786 -6.963 1.00 0.00 H new ATOM 679 N VAL A 45 134.476 0.699 -3.208 1.00 0.00 N ATOM 680 CA VAL A 45 133.569 1.290 -2.185 1.00 0.00 C ATOM 681 C VAL A 45 134.199 1.098 -0.809 1.00 0.00 C ATOM 682 O VAL A 45 134.171 1.980 0.026 1.00 0.00 O ATOM 683 CB VAL A 45 132.216 0.582 -2.229 1.00 0.00 C ATOM 684 CG1 VAL A 45 131.319 1.126 -1.114 1.00 0.00 C ATOM 685 CG2 VAL A 45 131.556 0.828 -3.587 1.00 0.00 C ATOM 0 H VAL A 45 134.166 -0.195 -3.589 1.00 0.00 H new ATOM 0 HA VAL A 45 133.422 2.351 -2.386 1.00 0.00 H new ATOM 0 HB VAL A 45 132.360 -0.489 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 45 130.353 0.621 -1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 45 131.791 0.948 -0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 45 131.173 2.197 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 45 130.591 0.323 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 45 131.411 1.898 -3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 45 132.196 0.438 -4.379 1.00 0.00 H new ATOM 695 N LEU A 46 134.800 -0.035 -0.575 1.00 0.00 N ATOM 696 CA LEU A 46 135.460 -0.258 0.736 1.00 0.00 C ATOM 697 C LEU A 46 136.533 0.813 0.896 1.00 0.00 C ATOM 698 O LEU A 46 136.748 1.346 1.967 1.00 0.00 O ATOM 699 CB LEU A 46 136.107 -1.651 0.769 1.00 0.00 C ATOM 700 CG LEU A 46 136.793 -1.882 2.130 1.00 0.00 C ATOM 701 CD1 LEU A 46 135.744 -1.868 3.261 1.00 0.00 C ATOM 702 CD2 LEU A 46 137.550 -3.228 2.126 1.00 0.00 C ATOM 0 H LEU A 46 134.861 -0.812 -1.233 1.00 0.00 H new ATOM 0 HA LEU A 46 134.732 -0.200 1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 46 135.350 -2.417 0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 46 136.837 -1.741 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 46 137.509 -1.078 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 46 136.239 -2.032 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 46 135.237 -0.903 3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 46 135.014 -2.659 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 46 138.030 -3.378 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 46 136.847 -4.040 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 46 138.308 -3.217 1.343 1.00 0.00 H new ATOM 714 N GLY A 47 137.208 1.128 -0.173 1.00 0.00 N ATOM 715 CA GLY A 47 138.270 2.163 -0.108 1.00 0.00 C ATOM 716 C GLY A 47 137.689 3.449 0.481 1.00 0.00 C ATOM 717 O GLY A 47 138.295 4.086 1.317 1.00 0.00 O ATOM 0 H GLY A 47 137.067 0.710 -1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 47 139.099 1.811 0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 47 138.669 2.354 -1.104 1.00 0.00 H new ATOM 721 N GLN A 48 136.513 3.838 0.057 1.00 0.00 N ATOM 722 CA GLN A 48 135.899 5.081 0.609 1.00 0.00 C ATOM 723 C GLN A 48 135.716 4.933 2.126 1.00 0.00 C ATOM 724 O GLN A 48 135.990 5.840 2.885 1.00 0.00 O ATOM 725 CB GLN A 48 134.539 5.315 -0.051 1.00 0.00 C ATOM 726 CG GLN A 48 134.019 6.706 0.320 1.00 0.00 C ATOM 727 CD GLN A 48 134.834 7.769 -0.421 1.00 0.00 C ATOM 728 OE1 GLN A 48 135.192 7.558 -1.659 1.00 0.00 O flip ATOM 729 NE2 GLN A 48 135.147 8.805 0.132 1.00 0.00 N flip ATOM 0 H GLN A 48 135.955 3.351 -0.644 1.00 0.00 H new ATOM 0 HA GLN A 48 136.552 5.930 0.405 1.00 0.00 H new ATOM 0 HB2 GLN A 48 134.629 5.227 -1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 48 133.830 4.553 0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 48 132.964 6.793 0.059 1.00 0.00 H new ATOM 0 HG3 GLN A 48 134.095 6.859 1.397 1.00 0.00 H new ATOM 0 HE21 GLN A 48 134.868 8.971 1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 48 135.688 9.508 -0.371 1.00 0.00 H new ATOM 738 N PHE A 49 135.259 3.792 2.569 1.00 0.00 N ATOM 739 CA PHE A 49 135.061 3.573 4.035 1.00 0.00 C ATOM 740 C PHE A 49 136.408 3.739 4.744 1.00 0.00 C ATOM 741 O PHE A 49 136.499 4.307 5.813 1.00 0.00 O ATOM 742 CB PHE A 49 134.510 2.159 4.253 1.00 0.00 C ATOM 743 CG PHE A 49 134.296 1.897 5.724 1.00 0.00 C ATOM 744 CD1 PHE A 49 133.100 2.284 6.340 1.00 0.00 C ATOM 745 CD2 PHE A 49 135.287 1.245 6.467 1.00 0.00 C ATOM 746 CE1 PHE A 49 132.896 2.021 7.700 1.00 0.00 C ATOM 747 CE2 PHE A 49 135.084 0.983 7.826 1.00 0.00 C ATOM 748 CZ PHE A 49 133.889 1.370 8.443 1.00 0.00 C ATOM 0 H PHE A 49 135.013 2.998 1.978 1.00 0.00 H new ATOM 0 HA PHE A 49 134.354 4.296 4.441 1.00 0.00 H new ATOM 0 HB2 PHE A 49 133.569 2.042 3.716 1.00 0.00 H new ATOM 0 HB3 PHE A 49 135.204 1.425 3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 49 132.335 2.785 5.766 1.00 0.00 H new ATOM 0 HD2 PHE A 49 136.209 0.944 5.991 1.00 0.00 H new ATOM 0 HE1 PHE A 49 131.974 2.320 8.176 1.00 0.00 H new ATOM 0 HE2 PHE A 49 135.850 0.482 8.399 1.00 0.00 H new ATOM 0 HZ PHE A 49 133.732 1.167 9.492 1.00 0.00 H new ATOM 758 N LEU A 50 137.446 3.246 4.147 1.00 0.00 N ATOM 759 CA LEU A 50 138.790 3.377 4.781 1.00 0.00 C ATOM 760 C LEU A 50 139.196 4.858 4.779 1.00 0.00 C ATOM 761 O LEU A 50 139.802 5.346 5.712 1.00 0.00 O ATOM 762 CB LEU A 50 139.823 2.553 4.000 1.00 0.00 C ATOM 763 CG LEU A 50 139.472 1.056 4.066 1.00 0.00 C ATOM 764 CD1 LEU A 50 140.395 0.279 3.119 1.00 0.00 C ATOM 765 CD2 LEU A 50 139.650 0.524 5.500 1.00 0.00 C ATOM 0 H LEU A 50 137.430 2.759 3.251 1.00 0.00 H new ATOM 0 HA LEU A 50 138.750 3.005 5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 50 139.850 2.882 2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 50 140.818 2.719 4.413 1.00 0.00 H new ATOM 0 HG LEU A 50 138.432 0.923 3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 50 140.150 -0.782 3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 50 140.259 0.642 2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 50 141.432 0.425 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 50 139.398 -0.536 5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 50 140.686 0.659 5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 50 138.993 1.072 6.175 1.00 0.00 H new ATOM 777 N VAL A 51 138.879 5.572 3.734 1.00 0.00 N ATOM 778 CA VAL A 51 139.255 7.020 3.662 1.00 0.00 C ATOM 779 C VAL A 51 138.482 7.840 4.705 1.00 0.00 C ATOM 780 O VAL A 51 138.924 8.891 5.125 1.00 0.00 O ATOM 781 CB VAL A 51 138.940 7.567 2.264 1.00 0.00 C ATOM 782 CG1 VAL A 51 139.174 9.083 2.238 1.00 0.00 C ATOM 783 CG2 VAL A 51 139.858 6.901 1.237 1.00 0.00 C ATOM 0 H VAL A 51 138.374 5.217 2.922 1.00 0.00 H new ATOM 0 HA VAL A 51 140.322 7.105 3.867 1.00 0.00 H new ATOM 0 HB VAL A 51 137.899 7.354 2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 51 138.949 9.469 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 51 138.524 9.564 2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 51 140.215 9.295 2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 51 139.635 7.289 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 51 140.898 7.115 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 51 139.697 5.823 1.250 1.00 0.00 H new ATOM 793 N LEU A 52 137.321 7.396 5.097 1.00 0.00 N ATOM 794 CA LEU A 52 136.511 8.185 6.078 1.00 0.00 C ATOM 795 C LEU A 52 136.897 7.843 7.516 1.00 0.00 C ATOM 796 O LEU A 52 136.212 8.220 8.444 1.00 0.00 O ATOM 797 CB LEU A 52 135.031 7.870 5.874 1.00 0.00 C ATOM 798 CG LEU A 52 134.569 8.371 4.499 1.00 0.00 C ATOM 799 CD1 LEU A 52 133.146 7.871 4.249 1.00 0.00 C ATOM 800 CD2 LEU A 52 134.596 9.913 4.446 1.00 0.00 C ATOM 0 H LEU A 52 136.895 6.524 4.784 1.00 0.00 H new ATOM 0 HA LEU A 52 136.705 9.244 5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 52 134.866 6.795 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 52 134.439 8.341 6.659 1.00 0.00 H new ATOM 0 HG LEU A 52 135.242 7.991 3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 52 132.804 8.220 3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 52 133.134 6.781 4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 52 132.484 8.255 5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 52 134.265 10.249 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 52 133.931 10.315 5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 52 135.611 10.266 4.627 1.00 0.00 H new ATOM 812 N LYS A 53 137.979 7.155 7.728 1.00 0.00 N ATOM 813 CA LYS A 53 138.378 6.830 9.126 1.00 0.00 C ATOM 814 C LYS A 53 137.175 6.277 9.900 1.00 0.00 C ATOM 815 O LYS A 53 136.994 6.572 11.063 1.00 0.00 O ATOM 816 CB LYS A 53 138.879 8.099 9.816 1.00 0.00 C ATOM 817 CG LYS A 53 140.169 8.574 9.137 1.00 0.00 C ATOM 818 CD LYS A 53 140.730 9.805 9.863 1.00 0.00 C ATOM 819 CE LYS A 53 139.978 11.069 9.428 1.00 0.00 C ATOM 820 NZ LYS A 53 140.620 12.262 10.052 1.00 0.00 N ATOM 0 H LYS A 53 138.603 6.804 7.001 1.00 0.00 H new ATOM 0 HA LYS A 53 139.169 6.080 9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 53 138.119 8.879 9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 53 139.062 7.903 10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 53 140.907 7.772 9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 53 139.970 8.818 8.093 1.00 0.00 H new ATOM 0 HD2 LYS A 53 140.639 9.673 10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 53 141.792 9.912 9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 53 139.993 11.160 8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 53 138.932 11.006 9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 140.113 13.122 9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 140.584 12.174 11.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 141.612 12.323 9.744 1.00 0.00 H new ATOM 834 N LYS A 54 136.357 5.473 9.259 1.00 0.00 N ATOM 835 CA LYS A 54 135.164 4.867 9.933 1.00 0.00 C ATOM 836 C LYS A 54 134.216 5.964 10.440 1.00 0.00 C ATOM 837 O LYS A 54 133.388 5.718 11.295 1.00 0.00 O ATOM 838 CB LYS A 54 135.630 4.001 11.109 1.00 0.00 C ATOM 839 CG LYS A 54 136.564 2.910 10.584 1.00 0.00 C ATOM 840 CD LYS A 54 137.040 2.035 11.744 1.00 0.00 C ATOM 841 CE LYS A 54 137.978 0.951 11.207 1.00 0.00 C ATOM 842 NZ LYS A 54 138.661 0.278 12.347 1.00 0.00 N ATOM 0 H LYS A 54 136.469 5.208 8.281 1.00 0.00 H new ATOM 0 HA LYS A 54 134.626 4.251 9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 54 136.146 4.615 11.848 1.00 0.00 H new ATOM 0 HB3 LYS A 54 134.772 3.553 11.610 1.00 0.00 H new ATOM 0 HG2 LYS A 54 136.046 2.299 9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 54 137.420 3.361 10.082 1.00 0.00 H new ATOM 0 HD2 LYS A 54 137.556 2.644 12.486 1.00 0.00 H new ATOM 0 HD3 LYS A 54 136.186 1.578 12.244 1.00 0.00 H new ATOM 0 HE2 LYS A 54 137.414 0.222 10.625 1.00 0.00 H new ATOM 0 HE3 LYS A 54 138.715 1.392 10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 139.299 -0.459 11.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 139.211 0.978 12.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 137.950 -0.156 12.970 1.00 0.00 H new ATOM 856 N ASP A 55 134.300 7.161 9.920 1.00 0.00 N ATOM 857 CA ASP A 55 133.360 8.224 10.391 1.00 0.00 C ATOM 858 C ASP A 55 131.940 7.847 9.939 1.00 0.00 C ATOM 859 O ASP A 55 131.612 7.912 8.771 1.00 0.00 O ATOM 860 CB ASP A 55 133.759 9.571 9.783 1.00 0.00 C ATOM 861 CG ASP A 55 135.006 10.105 10.491 1.00 0.00 C ATOM 862 OD1 ASP A 55 135.092 9.943 11.697 1.00 0.00 O ATOM 863 OD2 ASP A 55 135.846 10.678 9.818 1.00 0.00 O ATOM 0 H ASP A 55 134.966 7.447 9.202 1.00 0.00 H new ATOM 0 HA ASP A 55 133.397 8.306 11.477 1.00 0.00 H new ATOM 0 HB2 ASP A 55 133.955 9.456 8.717 1.00 0.00 H new ATOM 0 HB3 ASP A 55 132.940 10.283 9.882 1.00 0.00 H new ATOM 868 N GLU A 56 131.110 7.419 10.856 1.00 0.00 N ATOM 869 CA GLU A 56 129.721 6.994 10.496 1.00 0.00 C ATOM 870 C GLU A 56 128.870 8.149 9.947 1.00 0.00 C ATOM 871 O GLU A 56 128.123 7.975 9.011 1.00 0.00 O ATOM 872 CB GLU A 56 129.042 6.418 11.743 1.00 0.00 C ATOM 873 CG GLU A 56 127.635 5.921 11.392 1.00 0.00 C ATOM 874 CD GLU A 56 127.003 5.268 12.623 1.00 0.00 C ATOM 875 OE1 GLU A 56 127.699 5.117 13.612 1.00 0.00 O ATOM 876 OE2 GLU A 56 125.833 4.930 12.553 1.00 0.00 O ATOM 0 H GLU A 56 131.336 7.345 11.848 1.00 0.00 H new ATOM 0 HA GLU A 56 129.799 6.246 9.707 1.00 0.00 H new ATOM 0 HB2 GLU A 56 129.637 5.598 12.145 1.00 0.00 H new ATOM 0 HB3 GLU A 56 128.984 7.180 12.520 1.00 0.00 H new ATOM 0 HG2 GLU A 56 127.018 6.753 11.051 1.00 0.00 H new ATOM 0 HG3 GLU A 56 127.685 5.204 10.572 1.00 0.00 H new ATOM 883 N ASP A 57 128.961 9.319 10.509 1.00 0.00 N ATOM 884 CA ASP A 57 128.124 10.449 9.996 1.00 0.00 C ATOM 885 C ASP A 57 128.601 10.845 8.602 1.00 0.00 C ATOM 886 O ASP A 57 127.815 11.139 7.724 1.00 0.00 O ATOM 887 CB ASP A 57 128.241 11.649 10.939 1.00 0.00 C ATOM 888 CG ASP A 57 127.528 11.336 12.256 1.00 0.00 C ATOM 889 OD1 ASP A 57 126.539 10.623 12.216 1.00 0.00 O ATOM 890 OD2 ASP A 57 127.987 11.810 13.282 1.00 0.00 O ATOM 0 H ASP A 57 129.571 9.546 11.294 1.00 0.00 H new ATOM 0 HA ASP A 57 127.082 10.132 9.946 1.00 0.00 H new ATOM 0 HB2 ASP A 57 129.290 11.876 11.127 1.00 0.00 H new ATOM 0 HB3 ASP A 57 127.801 12.533 10.476 1.00 0.00 H new ATOM 895 N LEU A 58 129.875 10.842 8.390 1.00 0.00 N ATOM 896 CA LEU A 58 130.385 11.207 7.043 1.00 0.00 C ATOM 897 C LEU A 58 130.023 10.095 6.054 1.00 0.00 C ATOM 898 O LEU A 58 129.633 10.357 4.933 1.00 0.00 O ATOM 899 CB LEU A 58 131.906 11.388 7.079 1.00 0.00 C ATOM 900 CG LEU A 58 132.288 12.527 8.038 1.00 0.00 C ATOM 901 CD1 LEU A 58 133.815 12.674 8.059 1.00 0.00 C ATOM 902 CD2 LEU A 58 131.646 13.851 7.574 1.00 0.00 C ATOM 0 H LEU A 58 130.586 10.605 9.082 1.00 0.00 H new ATOM 0 HA LEU A 58 129.930 12.147 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 58 132.381 10.461 7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 58 132.276 11.608 6.078 1.00 0.00 H new ATOM 0 HG LEU A 58 131.925 12.293 9.039 1.00 0.00 H new ATOM 0 HD11 LEU A 58 134.094 13.480 8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 58 134.266 11.742 8.399 1.00 0.00 H new ATOM 0 HD13 LEU A 58 134.172 12.905 7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 58 131.924 14.650 8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 58 131.999 14.095 6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 58 130.561 13.744 7.561 1.00 0.00 H new ATOM 914 N PHE A 59 130.124 8.859 6.465 1.00 0.00 N ATOM 915 CA PHE A 59 129.755 7.738 5.552 1.00 0.00 C ATOM 916 C PHE A 59 128.260 7.801 5.233 1.00 0.00 C ATOM 917 O PHE A 59 127.852 7.703 4.093 1.00 0.00 O ATOM 918 CB PHE A 59 130.087 6.398 6.214 1.00 0.00 C ATOM 919 CG PHE A 59 129.621 5.268 5.325 1.00 0.00 C ATOM 920 CD1 PHE A 59 130.391 4.882 4.221 1.00 0.00 C ATOM 921 CD2 PHE A 59 128.421 4.602 5.608 1.00 0.00 C ATOM 922 CE1 PHE A 59 129.961 3.832 3.398 1.00 0.00 C ATOM 923 CE2 PHE A 59 127.990 3.552 4.785 1.00 0.00 C ATOM 924 CZ PHE A 59 128.761 3.168 3.680 1.00 0.00 C ATOM 0 H PHE A 59 130.445 8.577 7.391 1.00 0.00 H new ATOM 0 HA PHE A 59 130.323 7.830 4.626 1.00 0.00 H new ATOM 0 HB2 PHE A 59 131.161 6.321 6.385 1.00 0.00 H new ATOM 0 HB3 PHE A 59 129.603 6.332 7.188 1.00 0.00 H new ATOM 0 HD1 PHE A 59 131.317 5.394 4.003 1.00 0.00 H new ATOM 0 HD2 PHE A 59 127.828 4.898 6.461 1.00 0.00 H new ATOM 0 HE1 PHE A 59 130.555 3.535 2.546 1.00 0.00 H new ATOM 0 HE2 PHE A 59 127.065 3.040 5.003 1.00 0.00 H new ATOM 0 HZ PHE A 59 128.430 2.359 3.045 1.00 0.00 H new ATOM 934 N ARG A 60 127.438 7.941 6.241 1.00 0.00 N ATOM 935 CA ARG A 60 125.967 7.986 6.006 1.00 0.00 C ATOM 936 C ARG A 60 125.609 9.157 5.095 1.00 0.00 C ATOM 937 O ARG A 60 124.865 9.010 4.145 1.00 0.00 O ATOM 938 CB ARG A 60 125.243 8.174 7.342 1.00 0.00 C ATOM 939 CG ARG A 60 125.356 6.908 8.193 1.00 0.00 C ATOM 940 CD ARG A 60 124.704 7.165 9.551 1.00 0.00 C ATOM 941 NE ARG A 60 123.260 7.469 9.345 1.00 0.00 N ATOM 942 CZ ARG A 60 122.440 7.482 10.361 1.00 0.00 C ATOM 943 NH1 ARG A 60 122.890 7.275 11.569 1.00 0.00 N ATOM 944 NH2 ARG A 60 121.172 7.713 10.168 1.00 0.00 N ATOM 0 H ARG A 60 127.724 8.026 7.216 1.00 0.00 H new ATOM 0 HA ARG A 60 125.663 7.051 5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 60 125.671 9.020 7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 60 124.193 8.408 7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 60 124.867 6.072 7.692 1.00 0.00 H new ATOM 0 HG3 ARG A 60 126.403 6.633 8.323 1.00 0.00 H new ATOM 0 HD2 ARG A 60 124.817 6.292 10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 60 125.196 7.998 10.054 1.00 0.00 H new ATOM 0 HE ARG A 60 122.911 7.668 8.407 1.00 0.00 H new ATOM 0 HH11 ARG A 60 123.884 7.103 11.720 1.00 0.00 H new ATOM 0 HH12 ARG A 60 122.248 7.286 12.361 1.00 0.00 H new ATOM 0 HH21 ARG A 60 120.822 7.883 9.225 1.00 0.00 H new ATOM 0 HH22 ARG A 60 120.529 7.724 10.960 1.00 0.00 H new ATOM 958 N GLU A 61 126.128 10.320 5.372 1.00 0.00 N ATOM 959 CA GLU A 61 125.814 11.499 4.525 1.00 0.00 C ATOM 960 C GLU A 61 126.356 11.270 3.112 1.00 0.00 C ATOM 961 O GLU A 61 125.745 11.652 2.133 1.00 0.00 O ATOM 962 CB GLU A 61 126.475 12.735 5.141 1.00 0.00 C ATOM 963 CG GLU A 61 126.163 13.974 4.301 1.00 0.00 C ATOM 964 CD GLU A 61 126.788 15.202 4.963 1.00 0.00 C ATOM 965 OE1 GLU A 61 127.322 15.056 6.051 1.00 0.00 O ATOM 966 OE2 GLU A 61 126.719 16.269 4.376 1.00 0.00 O ATOM 0 H GLU A 61 126.759 10.503 6.152 1.00 0.00 H new ATOM 0 HA GLU A 61 124.735 11.646 4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 61 126.117 12.878 6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 61 127.554 12.589 5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 61 126.555 13.851 3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 61 125.085 14.104 4.211 1.00 0.00 H new ATOM 973 N TRP A 62 127.498 10.657 2.998 1.00 0.00 N ATOM 974 CA TRP A 62 128.082 10.410 1.647 1.00 0.00 C ATOM 975 C TRP A 62 127.194 9.476 0.814 1.00 0.00 C ATOM 976 O TRP A 62 126.927 9.731 -0.342 1.00 0.00 O ATOM 977 CB TRP A 62 129.471 9.772 1.798 1.00 0.00 C ATOM 978 CG TRP A 62 129.954 9.302 0.455 1.00 0.00 C ATOM 979 CD1 TRP A 62 130.562 10.075 -0.473 1.00 0.00 C ATOM 980 CD2 TRP A 62 129.846 7.969 -0.128 1.00 0.00 C ATOM 981 NE1 TRP A 62 130.838 9.301 -1.588 1.00 0.00 N ATOM 982 CE2 TRP A 62 130.416 7.995 -1.422 1.00 0.00 C ATOM 983 CE3 TRP A 62 129.316 6.752 0.340 1.00 0.00 C ATOM 984 CZ2 TRP A 62 130.457 6.851 -2.227 1.00 0.00 C ATOM 985 CZ3 TRP A 62 129.358 5.602 -0.467 1.00 0.00 C ATOM 986 CH2 TRP A 62 129.927 5.652 -1.746 1.00 0.00 C ATOM 0 H TRP A 62 128.055 10.315 3.781 1.00 0.00 H new ATOM 0 HA TRP A 62 128.155 11.368 1.133 1.00 0.00 H new ATOM 0 HB2 TRP A 62 130.172 10.495 2.216 1.00 0.00 H new ATOM 0 HB3 TRP A 62 129.425 8.934 2.494 1.00 0.00 H new ATOM 0 HD1 TRP A 62 130.794 11.124 -0.363 1.00 0.00 H new ATOM 0 HE1 TRP A 62 131.297 9.652 -2.429 1.00 0.00 H new ATOM 0 HE3 TRP A 62 128.875 6.702 1.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 130.895 6.895 -3.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 128.949 4.673 -0.098 1.00 0.00 H new ATOM 0 HH2 TRP A 62 129.956 4.764 -2.360 1.00 0.00 H new ATOM 997 N LEU A 63 126.760 8.389 1.378 1.00 0.00 N ATOM 998 CA LEU A 63 125.923 7.430 0.601 1.00 0.00 C ATOM 999 C LEU A 63 124.547 8.032 0.301 1.00 0.00 C ATOM 1000 O LEU A 63 124.060 7.962 -0.810 1.00 0.00 O ATOM 1001 CB LEU A 63 125.762 6.139 1.418 1.00 0.00 C ATOM 1002 CG LEU A 63 124.904 5.113 0.659 1.00 0.00 C ATOM 1003 CD1 LEU A 63 125.614 4.662 -0.625 1.00 0.00 C ATOM 1004 CD2 LEU A 63 124.667 3.900 1.565 1.00 0.00 C ATOM 0 H LEU A 63 126.947 8.119 2.344 1.00 0.00 H new ATOM 0 HA LEU A 63 126.413 7.213 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 63 126.743 5.713 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 63 125.299 6.367 2.378 1.00 0.00 H new ATOM 0 HG LEU A 63 123.954 5.572 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 63 124.992 3.936 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 63 125.785 5.525 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 63 126.570 4.204 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 63 124.059 3.165 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 63 125.625 3.454 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 63 124.148 4.217 2.470 1.00 0.00 H new ATOM 1016 N LYS A 64 123.910 8.609 1.277 1.00 0.00 N ATOM 1017 CA LYS A 64 122.562 9.195 1.038 1.00 0.00 C ATOM 1018 C LYS A 64 122.644 10.308 -0.008 1.00 0.00 C ATOM 1019 O LYS A 64 121.866 10.359 -0.939 1.00 0.00 O ATOM 1020 CB LYS A 64 121.988 9.747 2.343 1.00 0.00 C ATOM 1021 CG LYS A 64 120.557 10.227 2.095 1.00 0.00 C ATOM 1022 CD LYS A 64 119.922 10.659 3.416 1.00 0.00 C ATOM 1023 CE LYS A 64 118.495 11.147 3.157 1.00 0.00 C ATOM 1024 NZ LYS A 64 118.535 12.325 2.247 1.00 0.00 N ATOM 0 H LYS A 64 124.262 8.701 2.230 1.00 0.00 H new ATOM 0 HA LYS A 64 121.904 8.410 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 64 121.998 8.977 3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 64 122.603 10.570 2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 64 120.559 11.060 1.392 1.00 0.00 H new ATOM 0 HG3 LYS A 64 119.969 9.429 1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 64 119.911 9.825 4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 64 120.512 11.453 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 64 117.901 10.349 2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 64 118.014 11.416 4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 117.669 12.888 2.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 119.364 12.911 2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 118.600 12.000 1.261 1.00 0.00 H new ATOM 1038 N ASP A 65 123.582 11.202 0.141 1.00 0.00 N ATOM 1039 CA ASP A 65 123.715 12.315 -0.842 1.00 0.00 C ATOM 1040 C ASP A 65 124.217 11.767 -2.177 1.00 0.00 C ATOM 1041 O ASP A 65 123.987 12.344 -3.221 1.00 0.00 O ATOM 1042 CB ASP A 65 124.705 13.355 -0.309 1.00 0.00 C ATOM 1043 CG ASP A 65 124.056 14.140 0.830 1.00 0.00 C ATOM 1044 OD1 ASP A 65 122.882 14.453 0.714 1.00 0.00 O ATOM 1045 OD2 ASP A 65 124.741 14.416 1.801 1.00 0.00 O ATOM 0 H ASP A 65 124.262 11.210 0.901 1.00 0.00 H new ATOM 0 HA ASP A 65 122.742 12.783 -0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 65 125.611 12.863 0.045 1.00 0.00 H new ATOM 0 HB3 ASP A 65 125.002 14.033 -1.109 1.00 0.00 H new ATOM 1050 N THR A 66 124.927 10.673 -2.152 1.00 0.00 N ATOM 1051 CA THR A 66 125.470 10.107 -3.418 1.00 0.00 C ATOM 1052 C THR A 66 124.402 9.309 -4.172 1.00 0.00 C ATOM 1053 O THR A 66 124.424 9.270 -5.386 1.00 0.00 O ATOM 1054 CB THR A 66 126.662 9.199 -3.099 1.00 0.00 C ATOM 1055 OG1 THR A 66 127.710 9.980 -2.541 1.00 0.00 O ATOM 1056 CG2 THR A 66 127.160 8.530 -4.382 1.00 0.00 C ATOM 0 H THR A 66 125.155 10.146 -1.309 1.00 0.00 H new ATOM 0 HA THR A 66 125.789 10.932 -4.055 1.00 0.00 H new ATOM 0 HB THR A 66 126.352 8.433 -2.388 1.00 0.00 H new ATOM 0 HG1 THR A 66 127.484 10.219 -1.618 1.00 0.00 H new ATOM 0 HG21 THR A 66 128.008 7.885 -4.151 1.00 0.00 H new ATOM 0 HG22 THR A 66 126.358 7.933 -4.816 1.00 0.00 H new ATOM 0 HG23 THR A 66 127.470 9.295 -5.094 1.00 0.00 H new ATOM 1064 N CYS A 67 123.488 8.642 -3.495 1.00 0.00 N ATOM 1065 CA CYS A 67 122.459 7.825 -4.226 1.00 0.00 C ATOM 1066 C CYS A 67 121.045 8.090 -3.707 1.00 0.00 C ATOM 1067 O CYS A 67 120.077 7.917 -4.421 1.00 0.00 O ATOM 1068 CB CYS A 67 122.778 6.340 -4.041 1.00 0.00 C ATOM 1069 SG CYS A 67 122.967 5.977 -2.278 1.00 0.00 S ATOM 0 H CYS A 67 123.411 8.628 -2.478 1.00 0.00 H new ATOM 0 HA CYS A 67 122.494 8.107 -5.278 1.00 0.00 H new ATOM 0 HB2 CYS A 67 121.980 5.730 -4.465 1.00 0.00 H new ATOM 0 HB3 CYS A 67 123.693 6.084 -4.576 1.00 0.00 H new ATOM 0 HG CYS A 67 123.482 7.008 -1.676 1.00 0.00 H new ATOM 1075 N GLY A 68 120.907 8.488 -2.465 1.00 0.00 N ATOM 1076 CA GLY A 68 119.546 8.742 -1.895 1.00 0.00 C ATOM 1077 C GLY A 68 119.157 7.568 -0.991 1.00 0.00 C ATOM 1078 O GLY A 68 118.014 7.424 -0.606 1.00 0.00 O ATOM 0 H GLY A 68 121.681 8.648 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 68 119.543 9.672 -1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 68 118.817 8.857 -2.697 1.00 0.00 H new ATOM 1082 N ALA A 69 120.098 6.731 -0.640 1.00 0.00 N ATOM 1083 CA ALA A 69 119.773 5.576 0.245 1.00 0.00 C ATOM 1084 C ALA A 69 119.015 6.084 1.470 1.00 0.00 C ATOM 1085 O ALA A 69 119.144 7.228 1.859 1.00 0.00 O ATOM 1086 CB ALA A 69 121.068 4.892 0.692 1.00 0.00 C ATOM 0 H ALA A 69 121.074 6.798 -0.927 1.00 0.00 H new ATOM 0 HA ALA A 69 119.157 4.859 -0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 69 120.829 4.048 1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 69 121.612 4.536 -0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 69 121.686 5.604 1.239 1.00 0.00 H new ATOM 1092 N ASN A 70 118.209 5.253 2.078 1.00 0.00 N ATOM 1093 CA ASN A 70 117.428 5.706 3.266 1.00 0.00 C ATOM 1094 C ASN A 70 118.231 5.451 4.543 1.00 0.00 C ATOM 1095 O ASN A 70 119.273 4.828 4.525 1.00 0.00 O ATOM 1096 CB ASN A 70 116.115 4.925 3.334 1.00 0.00 C ATOM 1097 CG ASN A 70 115.312 5.164 2.054 1.00 0.00 C ATOM 1098 OD1 ASN A 70 115.145 6.290 1.628 1.00 0.00 O ATOM 1099 ND2 ASN A 70 114.800 4.144 1.422 1.00 0.00 N ATOM 0 H ASN A 70 118.058 4.282 1.804 1.00 0.00 H new ATOM 0 HA ASN A 70 117.222 6.773 3.176 1.00 0.00 H new ATOM 0 HB2 ASN A 70 116.318 3.861 3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 70 115.537 5.240 4.203 1.00 0.00 H new ATOM 0 HD21 ASN A 70 114.259 4.291 0.570 1.00 0.00 H new ATOM 0 HD22 ASN A 70 114.941 3.199 1.780 1.00 0.00 H new ATOM 1106 N ALA A 71 117.750 5.946 5.650 1.00 0.00 N ATOM 1107 CA ALA A 71 118.472 5.760 6.941 1.00 0.00 C ATOM 1108 C ALA A 71 118.584 4.273 7.289 1.00 0.00 C ATOM 1109 O ALA A 71 119.554 3.842 7.881 1.00 0.00 O ATOM 1110 CB ALA A 71 117.713 6.480 8.055 1.00 0.00 C ATOM 0 H ALA A 71 116.881 6.476 5.716 1.00 0.00 H new ATOM 0 HA ALA A 71 119.475 6.175 6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 71 118.239 6.345 9.000 1.00 0.00 H new ATOM 0 HB2 ALA A 71 117.649 7.543 7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 71 116.708 6.066 8.137 1.00 0.00 H new ATOM 1116 N LYS A 72 117.603 3.482 6.945 1.00 0.00 N ATOM 1117 CA LYS A 72 117.680 2.032 7.286 1.00 0.00 C ATOM 1118 C LYS A 72 118.728 1.349 6.405 1.00 0.00 C ATOM 1119 O LYS A 72 119.476 0.499 6.848 1.00 0.00 O ATOM 1120 CB LYS A 72 116.316 1.382 7.057 1.00 0.00 C ATOM 1121 CG LYS A 72 115.331 1.897 8.107 1.00 0.00 C ATOM 1122 CD LYS A 72 113.963 1.253 7.886 1.00 0.00 C ATOM 1123 CE LYS A 72 112.981 1.771 8.939 1.00 0.00 C ATOM 1124 NZ LYS A 72 111.600 1.336 8.587 1.00 0.00 N ATOM 0 H LYS A 72 116.761 3.773 6.448 1.00 0.00 H new ATOM 0 HA LYS A 72 117.964 1.922 8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 72 115.953 1.614 6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 72 116.401 0.297 7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 72 115.696 1.665 9.107 1.00 0.00 H new ATOM 0 HG3 LYS A 72 115.248 2.982 8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 72 113.597 1.485 6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 72 114.045 0.168 7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 72 113.253 1.391 9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 72 113.029 2.859 8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 110.932 1.688 9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 111.342 1.719 7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 111.560 0.297 8.558 1.00 0.00 H new ATOM 1138 N GLN A 73 118.776 1.713 5.154 1.00 0.00 N ATOM 1139 CA GLN A 73 119.754 1.092 4.222 1.00 0.00 C ATOM 1140 C GLN A 73 121.171 1.458 4.644 1.00 0.00 C ATOM 1141 O GLN A 73 122.080 0.654 4.584 1.00 0.00 O ATOM 1142 CB GLN A 73 119.497 1.612 2.805 1.00 0.00 C ATOM 1143 CG GLN A 73 118.180 1.038 2.279 1.00 0.00 C ATOM 1144 CD GLN A 73 117.898 1.605 0.886 1.00 0.00 C ATOM 1145 OE1 GLN A 73 118.138 2.769 0.630 1.00 0.00 O ATOM 1146 NE2 GLN A 73 117.389 0.830 -0.031 1.00 0.00 N ATOM 0 H GLN A 73 118.173 2.421 4.735 1.00 0.00 H new ATOM 0 HA GLN A 73 119.640 0.008 4.245 1.00 0.00 H new ATOM 0 HB2 GLN A 73 119.455 2.701 2.808 1.00 0.00 H new ATOM 0 HB3 GLN A 73 120.318 1.327 2.147 1.00 0.00 H new ATOM 0 HG2 GLN A 73 118.236 -0.050 2.236 1.00 0.00 H new ATOM 0 HG3 GLN A 73 117.365 1.289 2.958 1.00 0.00 H new ATOM 0 HE21 GLN A 73 117.187 -0.147 0.182 1.00 0.00 H new ATOM 0 HE22 GLN A 73 117.193 1.201 -0.961 1.00 0.00 H new ATOM 1155 N SER A 74 121.366 2.674 5.061 1.00 0.00 N ATOM 1156 CA SER A 74 122.716 3.117 5.478 1.00 0.00 C ATOM 1157 C SER A 74 123.191 2.321 6.699 1.00 0.00 C ATOM 1158 O SER A 74 124.347 1.960 6.795 1.00 0.00 O ATOM 1159 CB SER A 74 122.664 4.605 5.821 1.00 0.00 C ATOM 1160 OG SER A 74 122.249 5.335 4.674 1.00 0.00 O ATOM 0 H SER A 74 120.639 3.386 5.131 1.00 0.00 H new ATOM 0 HA SER A 74 123.418 2.945 4.662 1.00 0.00 H new ATOM 0 HB2 SER A 74 121.972 4.776 6.646 1.00 0.00 H new ATOM 0 HB3 SER A 74 123.644 4.949 6.151 1.00 0.00 H new ATOM 0 HG SER A 74 121.284 5.224 4.547 1.00 0.00 H new ATOM 1166 N ARG A 75 122.323 2.048 7.642 1.00 0.00 N ATOM 1167 CA ARG A 75 122.752 1.285 8.850 1.00 0.00 C ATOM 1168 C ARG A 75 123.280 -0.092 8.444 1.00 0.00 C ATOM 1169 O ARG A 75 124.225 -0.587 9.026 1.00 0.00 O ATOM 1170 CB ARG A 75 121.578 1.127 9.821 1.00 0.00 C ATOM 1171 CG ARG A 75 121.245 2.485 10.443 1.00 0.00 C ATOM 1172 CD ARG A 75 120.087 2.334 11.431 1.00 0.00 C ATOM 1173 NE ARG A 75 119.687 3.688 11.916 1.00 0.00 N ATOM 1174 CZ ARG A 75 118.587 3.845 12.599 1.00 0.00 C ATOM 1175 NH1 ARG A 75 117.866 2.809 12.928 1.00 0.00 N ATOM 1176 NH2 ARG A 75 118.216 5.041 12.968 1.00 0.00 N ATOM 0 H ARG A 75 121.340 2.320 7.626 1.00 0.00 H new ATOM 0 HA ARG A 75 123.549 1.838 9.346 1.00 0.00 H new ATOM 0 HB2 ARG A 75 120.708 0.732 9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 75 121.832 0.410 10.602 1.00 0.00 H new ATOM 0 HG2 ARG A 75 122.121 2.886 10.954 1.00 0.00 H new ATOM 0 HG3 ARG A 75 120.978 3.197 9.662 1.00 0.00 H new ATOM 0 HD2 ARG A 75 119.242 1.841 10.950 1.00 0.00 H new ATOM 0 HD3 ARG A 75 120.387 1.706 12.270 1.00 0.00 H new ATOM 0 HE ARG A 75 120.277 4.495 11.712 1.00 0.00 H new ATOM 0 HH11 ARG A 75 118.162 1.873 12.651 1.00 0.00 H new ATOM 0 HH12 ARG A 75 117.006 2.935 13.462 1.00 0.00 H new ATOM 0 HH21 ARG A 75 118.786 5.850 12.722 1.00 0.00 H new ATOM 0 HH22 ARG A 75 117.356 5.166 13.502 1.00 0.00 H new ATOM 1190 N ASP A 76 122.682 -0.737 7.479 1.00 0.00 N ATOM 1191 CA ASP A 76 123.156 -2.093 7.082 1.00 0.00 C ATOM 1192 C ASP A 76 124.539 -2.017 6.435 1.00 0.00 C ATOM 1193 O ASP A 76 125.384 -2.857 6.673 1.00 0.00 O ATOM 1194 CB ASP A 76 122.165 -2.710 6.092 1.00 0.00 C ATOM 1195 CG ASP A 76 120.864 -3.053 6.818 1.00 0.00 C ATOM 1196 OD1 ASP A 76 120.899 -3.169 8.032 1.00 0.00 O ATOM 1197 OD2 ASP A 76 119.854 -3.193 6.148 1.00 0.00 O ATOM 0 H ASP A 76 121.886 -0.383 6.949 1.00 0.00 H new ATOM 0 HA ASP A 76 123.224 -2.712 7.976 1.00 0.00 H new ATOM 0 HB2 ASP A 76 121.966 -2.013 5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 76 122.592 -3.608 5.646 1.00 0.00 H new ATOM 1202 N CYS A 77 124.792 -1.029 5.623 1.00 0.00 N ATOM 1203 CA CYS A 77 126.131 -0.932 4.981 1.00 0.00 C ATOM 1204 C CYS A 77 127.200 -0.609 6.030 1.00 0.00 C ATOM 1205 O CYS A 77 128.298 -1.121 5.977 1.00 0.00 O ATOM 1206 CB CYS A 77 126.104 0.175 3.925 1.00 0.00 C ATOM 1207 SG CYS A 77 125.080 -0.351 2.528 1.00 0.00 S ATOM 0 H CYS A 77 124.134 -0.289 5.378 1.00 0.00 H new ATOM 0 HA CYS A 77 126.372 -1.886 4.513 1.00 0.00 H new ATOM 0 HB2 CYS A 77 125.706 1.094 4.356 1.00 0.00 H new ATOM 0 HB3 CYS A 77 127.116 0.394 3.586 1.00 0.00 H new ATOM 0 HG CYS A 77 125.027 -1.649 2.493 1.00 0.00 H new ATOM 1213 N PHE A 78 126.912 0.253 6.969 1.00 0.00 N ATOM 1214 CA PHE A 78 127.953 0.600 7.978 1.00 0.00 C ATOM 1215 C PHE A 78 128.401 -0.651 8.736 1.00 0.00 C ATOM 1216 O PHE A 78 129.559 -1.019 8.715 1.00 0.00 O ATOM 1217 CB PHE A 78 127.377 1.622 8.961 1.00 0.00 C ATOM 1218 CG PHE A 78 128.405 1.945 10.018 1.00 0.00 C ATOM 1219 CD1 PHE A 78 129.350 2.954 9.795 1.00 0.00 C ATOM 1220 CD2 PHE A 78 128.405 1.241 11.228 1.00 0.00 C ATOM 1221 CE1 PHE A 78 130.297 3.257 10.783 1.00 0.00 C ATOM 1222 CE2 PHE A 78 129.351 1.544 12.215 1.00 0.00 C ATOM 1223 CZ PHE A 78 130.297 2.551 11.992 1.00 0.00 C ATOM 0 H PHE A 78 126.015 0.725 7.080 1.00 0.00 H new ATOM 0 HA PHE A 78 128.818 1.024 7.468 1.00 0.00 H new ATOM 0 HB2 PHE A 78 127.089 2.530 8.430 1.00 0.00 H new ATOM 0 HB3 PHE A 78 126.475 1.225 9.426 1.00 0.00 H new ATOM 0 HD1 PHE A 78 129.349 3.498 8.862 1.00 0.00 H new ATOM 0 HD2 PHE A 78 127.675 0.464 11.400 1.00 0.00 H new ATOM 0 HE1 PHE A 78 131.026 4.035 10.612 1.00 0.00 H new ATOM 0 HE2 PHE A 78 129.351 1.001 13.148 1.00 0.00 H new ATOM 0 HZ PHE A 78 131.027 2.784 12.753 1.00 0.00 H new ATOM 1233 N GLY A 79 127.497 -1.302 9.412 1.00 0.00 N ATOM 1234 CA GLY A 79 127.870 -2.523 10.184 1.00 0.00 C ATOM 1235 C GLY A 79 128.431 -3.598 9.248 1.00 0.00 C ATOM 1236 O GLY A 79 129.284 -4.376 9.621 1.00 0.00 O ATOM 0 H GLY A 79 126.512 -1.042 9.464 1.00 0.00 H new ATOM 0 HA2 GLY A 79 128.611 -2.269 10.942 1.00 0.00 H new ATOM 0 HA3 GLY A 79 126.997 -2.909 10.709 1.00 0.00 H new ATOM 1240 N CYS A 80 127.961 -3.650 8.038 1.00 0.00 N ATOM 1241 CA CYS A 80 128.475 -4.679 7.090 1.00 0.00 C ATOM 1242 C CYS A 80 129.912 -4.349 6.684 1.00 0.00 C ATOM 1243 O CYS A 80 130.783 -5.195 6.719 1.00 0.00 O ATOM 1244 CB CYS A 80 127.586 -4.711 5.849 1.00 0.00 C ATOM 1245 SG CYS A 80 128.227 -5.935 4.680 1.00 0.00 S ATOM 0 H CYS A 80 127.245 -3.028 7.662 1.00 0.00 H new ATOM 0 HA CYS A 80 128.461 -5.654 7.577 1.00 0.00 H new ATOM 0 HB2 CYS A 80 126.562 -4.960 6.128 1.00 0.00 H new ATOM 0 HB3 CYS A 80 127.559 -3.726 5.383 1.00 0.00 H new ATOM 0 HG CYS A 80 128.130 -5.471 3.469 1.00 0.00 H new ATOM 1251 N LEU A 81 130.179 -3.127 6.317 1.00 0.00 N ATOM 1252 CA LEU A 81 131.577 -2.778 5.936 1.00 0.00 C ATOM 1253 C LEU A 81 132.457 -2.798 7.191 1.00 0.00 C ATOM 1254 O LEU A 81 133.587 -3.240 7.161 1.00 0.00 O ATOM 1255 CB LEU A 81 131.600 -1.376 5.319 1.00 0.00 C ATOM 1256 CG LEU A 81 130.740 -1.350 4.046 1.00 0.00 C ATOM 1257 CD1 LEU A 81 130.578 0.100 3.578 1.00 0.00 C ATOM 1258 CD2 LEU A 81 131.402 -2.182 2.934 1.00 0.00 C ATOM 0 H LEU A 81 129.503 -2.365 6.264 1.00 0.00 H new ATOM 0 HA LEU A 81 131.954 -3.499 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 81 131.224 -0.647 6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 81 132.625 -1.090 5.082 1.00 0.00 H new ATOM 0 HG LEU A 81 129.763 -1.779 4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 81 129.968 0.125 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 81 130.091 0.683 4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 81 131.559 0.526 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 81 130.780 -2.153 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 81 132.385 -1.769 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 81 131.511 -3.214 3.267 1.00 0.00 H new ATOM 1270 N ARG A 82 131.949 -2.308 8.291 1.00 0.00 N ATOM 1271 CA ARG A 82 132.756 -2.284 9.546 1.00 0.00 C ATOM 1272 C ARG A 82 133.118 -3.709 9.981 1.00 0.00 C ATOM 1273 O ARG A 82 134.217 -3.968 10.431 1.00 0.00 O ATOM 1274 CB ARG A 82 131.951 -1.593 10.652 1.00 0.00 C ATOM 1275 CG ARG A 82 132.824 -1.431 11.899 1.00 0.00 C ATOM 1276 CD ARG A 82 132.027 -0.719 12.996 1.00 0.00 C ATOM 1277 NE ARG A 82 132.919 -0.455 14.161 1.00 0.00 N ATOM 1278 CZ ARG A 82 132.552 0.387 15.089 1.00 0.00 C ATOM 1279 NH1 ARG A 82 131.383 0.963 15.026 1.00 0.00 N ATOM 1280 NH2 ARG A 82 133.353 0.650 16.085 1.00 0.00 N ATOM 0 H ARG A 82 131.008 -1.923 8.374 1.00 0.00 H new ATOM 0 HA ARG A 82 133.679 -1.734 9.363 1.00 0.00 H new ATOM 0 HB2 ARG A 82 131.605 -0.618 10.309 1.00 0.00 H new ATOM 0 HB3 ARG A 82 131.064 -2.180 10.891 1.00 0.00 H new ATOM 0 HG2 ARG A 82 133.156 -2.407 12.252 1.00 0.00 H new ATOM 0 HG3 ARG A 82 133.719 -0.859 11.656 1.00 0.00 H new ATOM 0 HD2 ARG A 82 131.620 0.218 12.616 1.00 0.00 H new ATOM 0 HD3 ARG A 82 131.181 -1.333 13.303 1.00 0.00 H new ATOM 0 HE ARG A 82 133.817 -0.933 14.233 1.00 0.00 H new ATOM 0 HH11 ARG A 82 130.754 0.756 14.251 1.00 0.00 H new ATOM 0 HH12 ARG A 82 131.099 1.620 15.752 1.00 0.00 H new ATOM 0 HH21 ARG A 82 134.266 0.198 16.139 1.00 0.00 H new ATOM 0 HH22 ARG A 82 133.066 1.308 16.810 1.00 0.00 H new ATOM 1294 N GLU A 83 132.207 -4.634 9.856 1.00 0.00 N ATOM 1295 CA GLU A 83 132.502 -6.040 10.267 1.00 0.00 C ATOM 1296 C GLU A 83 133.506 -6.698 9.313 1.00 0.00 C ATOM 1297 O GLU A 83 134.374 -7.433 9.741 1.00 0.00 O ATOM 1298 CB GLU A 83 131.207 -6.859 10.304 1.00 0.00 C ATOM 1299 CG GLU A 83 130.370 -6.441 11.518 1.00 0.00 C ATOM 1300 CD GLU A 83 129.010 -7.139 11.466 1.00 0.00 C ATOM 1301 OE1 GLU A 83 128.784 -7.886 10.528 1.00 0.00 O ATOM 1302 OE2 GLU A 83 128.219 -6.922 12.370 1.00 0.00 O ATOM 0 H GLU A 83 131.269 -4.479 9.487 1.00 0.00 H new ATOM 0 HA GLU A 83 132.944 -6.014 11.263 1.00 0.00 H new ATOM 0 HB2 GLU A 83 130.639 -6.703 9.387 1.00 0.00 H new ATOM 0 HB3 GLU A 83 131.439 -7.923 10.358 1.00 0.00 H new ATOM 0 HG2 GLU A 83 130.890 -6.703 12.439 1.00 0.00 H new ATOM 0 HG3 GLU A 83 130.235 -5.359 11.525 1.00 0.00 H new ATOM 1309 N TRP A 84 133.424 -6.444 8.030 1.00 0.00 N ATOM 1310 CA TRP A 84 134.400 -7.064 7.087 1.00 0.00 C ATOM 1311 C TRP A 84 135.812 -6.596 7.446 1.00 0.00 C ATOM 1312 O TRP A 84 136.748 -7.371 7.477 1.00 0.00 O ATOM 1313 CB TRP A 84 134.070 -6.638 5.651 1.00 0.00 C ATOM 1314 CG TRP A 84 134.938 -7.392 4.693 1.00 0.00 C ATOM 1315 CD1 TRP A 84 134.617 -8.581 4.131 1.00 0.00 C ATOM 1316 CD2 TRP A 84 136.256 -7.039 4.178 1.00 0.00 C ATOM 1317 NE1 TRP A 84 135.652 -8.979 3.306 1.00 0.00 N ATOM 1318 CE2 TRP A 84 136.685 -8.064 3.301 1.00 0.00 C ATOM 1319 CE3 TRP A 84 137.112 -5.942 4.383 1.00 0.00 C ATOM 1320 CZ2 TRP A 84 137.918 -8.005 2.652 1.00 0.00 C ATOM 1321 CZ3 TRP A 84 138.356 -5.881 3.730 1.00 0.00 C ATOM 1322 CH2 TRP A 84 138.757 -6.910 2.868 1.00 0.00 C ATOM 0 H TRP A 84 132.727 -5.837 7.599 1.00 0.00 H new ATOM 0 HA TRP A 84 134.342 -8.150 7.163 1.00 0.00 H new ATOM 0 HB2 TRP A 84 133.019 -6.832 5.436 1.00 0.00 H new ATOM 0 HB3 TRP A 84 134.227 -5.566 5.534 1.00 0.00 H new ATOM 0 HD1 TRP A 84 133.702 -9.129 4.300 1.00 0.00 H new ATOM 0 HE1 TRP A 84 135.652 -9.844 2.766 1.00 0.00 H new ATOM 0 HE3 TRP A 84 136.813 -5.143 5.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 138.222 -8.800 1.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 139.007 -5.035 3.894 1.00 0.00 H new ATOM 0 HH2 TRP A 84 139.714 -6.856 2.371 1.00 0.00 H new ATOM 1333 N CYS A 85 135.972 -5.323 7.694 1.00 0.00 N ATOM 1334 CA CYS A 85 137.325 -4.791 8.028 1.00 0.00 C ATOM 1335 C CYS A 85 137.848 -5.443 9.307 1.00 0.00 C ATOM 1336 O CYS A 85 139.011 -5.773 9.416 1.00 0.00 O ATOM 1337 CB CYS A 85 137.245 -3.276 8.230 1.00 0.00 C ATOM 1338 SG CYS A 85 136.999 -2.465 6.632 1.00 0.00 S ATOM 0 H CYS A 85 135.224 -4.629 7.680 1.00 0.00 H new ATOM 0 HA CYS A 85 138.005 -5.019 7.207 1.00 0.00 H new ATOM 0 HB2 CYS A 85 136.424 -3.031 8.904 1.00 0.00 H new ATOM 0 HB3 CYS A 85 138.160 -2.912 8.697 1.00 0.00 H new ATOM 0 HG CYS A 85 136.288 -3.233 5.861 1.00 0.00 H new ATOM 1344 N ASP A 86 137.001 -5.633 10.275 1.00 0.00 N ATOM 1345 CA ASP A 86 137.456 -6.264 11.542 1.00 0.00 C ATOM 1346 C ASP A 86 138.036 -7.647 11.243 1.00 0.00 C ATOM 1347 O ASP A 86 138.900 -8.134 11.945 1.00 0.00 O ATOM 1348 CB ASP A 86 136.269 -6.399 12.501 1.00 0.00 C ATOM 1349 CG ASP A 86 135.902 -5.022 13.058 1.00 0.00 C ATOM 1350 OD1 ASP A 86 136.810 -4.283 13.400 1.00 0.00 O ATOM 1351 OD2 ASP A 86 134.720 -4.729 13.132 1.00 0.00 O ATOM 0 H ASP A 86 136.014 -5.379 10.245 1.00 0.00 H new ATOM 0 HA ASP A 86 138.223 -5.643 12.003 1.00 0.00 H new ATOM 0 HB2 ASP A 86 135.415 -6.832 11.980 1.00 0.00 H new ATOM 0 HB3 ASP A 86 136.522 -7.077 13.316 1.00 0.00 H new ATOM 1356 N ALA A 87 137.554 -8.295 10.213 1.00 0.00 N ATOM 1357 CA ALA A 87 138.065 -9.660 9.879 1.00 0.00 C ATOM 1358 C ALA A 87 139.172 -9.602 8.818 1.00 0.00 C ATOM 1359 O ALA A 87 140.062 -10.429 8.803 1.00 0.00 O ATOM 1360 CB ALA A 87 136.911 -10.507 9.336 1.00 0.00 C ATOM 0 H ALA A 87 136.830 -7.939 9.589 1.00 0.00 H new ATOM 0 HA ALA A 87 138.478 -10.099 10.787 1.00 0.00 H new ATOM 0 HB1 ALA A 87 137.276 -11.504 9.090 1.00 0.00 H new ATOM 0 HB2 ALA A 87 136.129 -10.583 10.091 1.00 0.00 H new ATOM 0 HB3 ALA A 87 136.506 -10.038 8.440 1.00 0.00 H new ATOM 1366 N PHE A 88 139.084 -8.681 7.885 1.00 0.00 N ATOM 1367 CA PHE A 88 140.093 -8.630 6.768 1.00 0.00 C ATOM 1368 C PHE A 88 141.037 -7.420 6.854 1.00 0.00 C ATOM 1369 O PHE A 88 142.012 -7.363 6.130 1.00 0.00 O ATOM 1370 CB PHE A 88 139.336 -8.543 5.444 1.00 0.00 C ATOM 1371 CG PHE A 88 138.620 -9.844 5.165 1.00 0.00 C ATOM 1372 CD1 PHE A 88 139.336 -10.938 4.668 1.00 0.00 C ATOM 1373 CD2 PHE A 88 137.239 -9.951 5.387 1.00 0.00 C ATOM 1374 CE1 PHE A 88 138.675 -12.141 4.394 1.00 0.00 C ATOM 1375 CE2 PHE A 88 136.577 -11.154 5.108 1.00 0.00 C ATOM 1376 CZ PHE A 88 137.296 -12.248 4.612 1.00 0.00 C ATOM 0 H PHE A 88 138.360 -7.963 7.846 1.00 0.00 H new ATOM 0 HA PHE A 88 140.705 -9.529 6.845 1.00 0.00 H new ATOM 0 HB2 PHE A 88 138.617 -7.725 5.481 1.00 0.00 H new ATOM 0 HB3 PHE A 88 140.030 -8.321 4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 88 140.399 -10.854 4.496 1.00 0.00 H new ATOM 0 HD2 PHE A 88 136.687 -9.107 5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 88 139.229 -12.987 4.014 1.00 0.00 H new ATOM 0 HE2 PHE A 88 135.513 -11.237 5.275 1.00 0.00 H new ATOM 0 HZ PHE A 88 136.786 -13.176 4.397 1.00 0.00 H new ATOM 1386 N LEU A 89 140.785 -6.452 7.700 1.00 0.00 N ATOM 1387 CA LEU A 89 141.709 -5.268 7.771 1.00 0.00 C ATOM 1388 C LEU A 89 142.709 -5.469 8.910 1.00 0.00 C ATOM 1389 O LEU A 89 142.282 -5.866 9.981 1.00 0.00 O ATOM 1390 CB LEU A 89 140.895 -3.994 8.019 1.00 0.00 C ATOM 1391 CG LEU A 89 141.785 -2.749 7.847 1.00 0.00 C ATOM 1392 CD1 LEU A 89 142.049 -2.461 6.355 1.00 0.00 C ATOM 1393 CD2 LEU A 89 141.083 -1.542 8.479 1.00 0.00 C ATOM 1394 OXT LEU A 89 143.883 -5.220 8.693 1.00 0.00 O ATOM 0 H LEU A 89 139.991 -6.426 8.339 1.00 0.00 H new ATOM 0 HA LEU A 89 142.248 -5.172 6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 89 140.057 -3.949 7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 89 140.475 -4.013 9.025 1.00 0.00 H new ATOM 0 HG LEU A 89 142.741 -2.932 8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 89 142.680 -1.577 6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 89 142.552 -3.316 5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 89 141.102 -2.287 5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 89 141.707 -0.656 8.362 1.00 0.00 H new ATOM 0 HD22 LEU A 89 140.125 -1.379 7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 89 140.918 -1.731 9.540 1.00 0.00 H new TER 1406 LEU A 89 ATOM 1407 N MET B 1 170.236 -4.839 -4.839 1.00 0.00 N ATOM 1408 CA MET B 1 169.450 -3.939 -3.949 1.00 0.00 C ATOM 1409 C MET B 1 168.424 -4.762 -3.163 1.00 0.00 C ATOM 1410 O MET B 1 167.248 -4.765 -3.467 1.00 0.00 O ATOM 1411 CB MET B 1 168.731 -2.873 -4.790 1.00 0.00 C ATOM 1412 CG MET B 1 168.086 -3.512 -6.027 1.00 0.00 C ATOM 1413 SD MET B 1 167.401 -2.213 -7.089 1.00 0.00 S ATOM 1414 CE MET B 1 165.852 -1.956 -6.187 1.00 0.00 C ATOM 0 H1 MET B 1 170.663 -4.282 -5.607 1.00 0.00 H new ATOM 0 H2 MET B 1 170.987 -5.302 -4.289 1.00 0.00 H new ATOM 0 H3 MET B 1 169.608 -5.562 -5.244 1.00 0.00 H new ATOM 0 HA MET B 1 170.125 -3.444 -3.250 1.00 0.00 H new ATOM 0 HB2 MET B 1 167.968 -2.380 -4.188 1.00 0.00 H new ATOM 0 HB3 MET B 1 169.440 -2.105 -5.098 1.00 0.00 H new ATOM 0 HG2 MET B 1 168.826 -4.094 -6.577 1.00 0.00 H new ATOM 0 HG3 MET B 1 167.299 -4.202 -5.724 1.00 0.00 H new ATOM 0 HE1 MET B 1 165.018 -2.329 -6.782 1.00 0.00 H new ATOM 0 HE2 MET B 1 165.890 -2.493 -5.239 1.00 0.00 H new ATOM 0 HE3 MET B 1 165.714 -0.892 -5.996 1.00 0.00 H new ATOM 1426 N THR B 2 168.861 -5.460 -2.150 1.00 0.00 N ATOM 1427 CA THR B 2 167.911 -6.283 -1.345 1.00 0.00 C ATOM 1428 C THR B 2 166.926 -5.365 -0.616 1.00 0.00 C ATOM 1429 O THR B 2 167.274 -4.287 -0.180 1.00 0.00 O ATOM 1430 CB THR B 2 168.689 -7.113 -0.319 1.00 0.00 C ATOM 1431 OG1 THR B 2 169.632 -7.935 -0.992 1.00 0.00 O ATOM 1432 CG2 THR B 2 167.716 -7.991 0.474 1.00 0.00 C ATOM 0 H THR B 2 169.834 -5.497 -1.845 1.00 0.00 H new ATOM 0 HA THR B 2 167.362 -6.950 -2.009 1.00 0.00 H new ATOM 0 HB THR B 2 169.213 -6.446 0.365 1.00 0.00 H new ATOM 0 HG1 THR B 2 170.131 -8.465 -0.336 1.00 0.00 H new ATOM 0 HG21 THR B 2 168.270 -8.581 1.204 1.00 0.00 H new ATOM 0 HG22 THR B 2 166.994 -7.359 0.991 1.00 0.00 H new ATOM 0 HG23 THR B 2 167.190 -8.659 -0.208 1.00 0.00 H new ATOM 1440 N THR B 3 165.697 -5.786 -0.485 1.00 0.00 N ATOM 1441 CA THR B 3 164.685 -4.940 0.211 1.00 0.00 C ATOM 1442 C THR B 3 164.999 -4.883 1.708 1.00 0.00 C ATOM 1443 O THR B 3 165.697 -5.722 2.241 1.00 0.00 O ATOM 1444 CB THR B 3 163.291 -5.539 0.012 1.00 0.00 C ATOM 1445 OG1 THR B 3 163.257 -6.846 0.565 1.00 0.00 O ATOM 1446 CG2 THR B 3 162.969 -5.605 -1.480 1.00 0.00 C ATOM 0 H THR B 3 165.350 -6.681 -0.830 1.00 0.00 H new ATOM 0 HA THR B 3 164.715 -3.933 -0.206 1.00 0.00 H new ATOM 0 HB THR B 3 162.552 -4.913 0.512 1.00 0.00 H new ATOM 0 HG1 THR B 3 162.364 -7.231 0.440 1.00 0.00 H new ATOM 0 HG21 THR B 3 161.976 -6.032 -1.619 1.00 0.00 H new ATOM 0 HG22 THR B 3 162.995 -4.601 -1.903 1.00 0.00 H new ATOM 0 HG23 THR B 3 163.706 -6.230 -1.984 1.00 0.00 H new ATOM 1454 N SER B 4 164.482 -3.897 2.392 1.00 0.00 N ATOM 1455 CA SER B 4 164.742 -3.783 3.856 1.00 0.00 C ATOM 1456 C SER B 4 163.830 -4.754 4.611 1.00 0.00 C ATOM 1457 O SER B 4 162.915 -5.329 4.056 1.00 0.00 O ATOM 1458 CB SER B 4 164.456 -2.351 4.311 1.00 0.00 C ATOM 1459 OG SER B 4 165.476 -1.491 3.820 1.00 0.00 O ATOM 0 H SER B 4 163.890 -3.165 1.999 1.00 0.00 H new ATOM 0 HA SER B 4 165.783 -4.029 4.064 1.00 0.00 H new ATOM 0 HB2 SER B 4 163.483 -2.027 3.943 1.00 0.00 H new ATOM 0 HB3 SER B 4 164.417 -2.304 5.399 1.00 0.00 H new ATOM 0 HG SER B 4 165.296 -0.572 4.108 1.00 0.00 H new ATOM 1465 N GLN B 5 164.092 -4.948 5.875 1.00 0.00 N ATOM 1466 CA GLN B 5 163.271 -5.892 6.687 1.00 0.00 C ATOM 1467 C GLN B 5 161.844 -5.365 6.826 1.00 0.00 C ATOM 1468 O GLN B 5 160.929 -6.105 7.124 1.00 0.00 O ATOM 1469 CB GLN B 5 163.882 -6.028 8.082 1.00 0.00 C ATOM 1470 CG GLN B 5 165.205 -6.791 7.995 1.00 0.00 C ATOM 1471 CD GLN B 5 165.844 -6.853 9.383 1.00 0.00 C ATOM 1472 OE1 GLN B 5 165.497 -6.085 10.259 1.00 0.00 O ATOM 1473 NE2 GLN B 5 166.771 -7.738 9.621 1.00 0.00 N ATOM 0 H GLN B 5 164.847 -4.489 6.385 1.00 0.00 H new ATOM 0 HA GLN B 5 163.254 -6.860 6.187 1.00 0.00 H new ATOM 0 HB2 GLN B 5 164.048 -5.041 8.514 1.00 0.00 H new ATOM 0 HB3 GLN B 5 163.191 -6.553 8.742 1.00 0.00 H new ATOM 0 HG2 GLN B 5 165.033 -7.798 7.616 1.00 0.00 H new ATOM 0 HG3 GLN B 5 165.878 -6.297 7.294 1.00 0.00 H new ATOM 0 HE21 GLN B 5 167.062 -8.382 8.886 1.00 0.00 H new ATOM 0 HE22 GLN B 5 167.205 -7.786 10.543 1.00 0.00 H new ATOM 1482 N LYS B 6 161.644 -4.093 6.619 1.00 0.00 N ATOM 1483 CA LYS B 6 160.279 -3.518 6.744 1.00 0.00 C ATOM 1484 C LYS B 6 159.362 -4.126 5.686 1.00 0.00 C ATOM 1485 O LYS B 6 158.205 -4.395 5.939 1.00 0.00 O ATOM 1486 CB LYS B 6 160.360 -2.003 6.548 1.00 0.00 C ATOM 1487 CG LYS B 6 161.067 -1.382 7.752 1.00 0.00 C ATOM 1488 CD LYS B 6 161.158 0.133 7.574 1.00 0.00 C ATOM 1489 CE LYS B 6 161.867 0.743 8.785 1.00 0.00 C ATOM 1490 NZ LYS B 6 161.972 2.219 8.611 1.00 0.00 N ATOM 0 H LYS B 6 162.373 -3.425 6.367 1.00 0.00 H new ATOM 0 HA LYS B 6 159.875 -3.742 7.731 1.00 0.00 H new ATOM 0 HB2 LYS B 6 160.903 -1.771 5.632 1.00 0.00 H new ATOM 0 HB3 LYS B 6 159.360 -1.583 6.441 1.00 0.00 H new ATOM 0 HG2 LYS B 6 160.523 -1.618 8.666 1.00 0.00 H new ATOM 0 HG3 LYS B 6 162.066 -1.806 7.857 1.00 0.00 H new ATOM 0 HD2 LYS B 6 161.703 0.371 6.661 1.00 0.00 H new ATOM 0 HD3 LYS B 6 160.160 0.559 7.470 1.00 0.00 H new ATOM 0 HE2 LYS B 6 161.315 0.512 9.696 1.00 0.00 H new ATOM 0 HE3 LYS B 6 162.860 0.308 8.895 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 162.454 2.632 9.435 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 162.516 2.429 7.750 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 161.019 2.627 8.527 1.00 0.00 H new ATOM 1504 N HIS B 7 159.856 -4.328 4.497 1.00 0.00 N ATOM 1505 CA HIS B 7 158.988 -4.898 3.431 1.00 0.00 C ATOM 1506 C HIS B 7 158.466 -6.277 3.841 1.00 0.00 C ATOM 1507 O HIS B 7 157.283 -6.541 3.771 1.00 0.00 O ATOM 1508 CB HIS B 7 159.793 -5.020 2.133 1.00 0.00 C ATOM 1509 CG HIS B 7 158.957 -5.688 1.075 1.00 0.00 C ATOM 1510 ND1 HIS B 7 158.083 -4.983 0.256 1.00 0.00 N ATOM 1511 CD2 HIS B 7 158.857 -7.002 0.687 1.00 0.00 C ATOM 1512 CE1 HIS B 7 157.503 -5.872 -0.574 1.00 0.00 C ATOM 1513 NE2 HIS B 7 157.941 -7.111 -0.352 1.00 0.00 N ATOM 0 H HIS B 7 160.816 -4.125 4.219 1.00 0.00 H new ATOM 0 HA HIS B 7 158.136 -4.235 3.279 1.00 0.00 H new ATOM 0 HB2 HIS B 7 160.104 -4.032 1.793 1.00 0.00 H new ATOM 0 HB3 HIS B 7 160.701 -5.597 2.310 1.00 0.00 H new ATOM 0 HD2 HIS B 7 159.406 -7.824 1.123 1.00 0.00 H new ATOM 0 HE1 HIS B 7 156.773 -5.612 -1.326 1.00 0.00 H new ATOM 0 HE2 HIS B 7 157.662 -7.961 -0.842 1.00 0.00 H new ATOM 1521 N ARG B 8 159.331 -7.162 4.272 1.00 0.00 N ATOM 1522 CA ARG B 8 158.875 -8.516 4.686 1.00 0.00 C ATOM 1523 C ARG B 8 158.079 -8.424 5.986 1.00 0.00 C ATOM 1524 O ARG B 8 157.149 -9.172 6.212 1.00 0.00 O ATOM 1525 CB ARG B 8 160.085 -9.431 4.897 1.00 0.00 C ATOM 1526 CG ARG B 8 160.734 -9.743 3.546 1.00 0.00 C ATOM 1527 CD ARG B 8 161.939 -10.662 3.754 1.00 0.00 C ATOM 1528 NE ARG B 8 162.609 -10.894 2.442 1.00 0.00 N ATOM 1529 CZ ARG B 8 163.788 -11.451 2.397 1.00 0.00 C ATOM 1530 NH1 ARG B 8 164.372 -11.841 3.498 1.00 0.00 N ATOM 1531 NH2 ARG B 8 164.382 -11.626 1.248 1.00 0.00 N ATOM 0 H ARG B 8 160.335 -7.000 4.353 1.00 0.00 H new ATOM 0 HA ARG B 8 158.240 -8.928 3.902 1.00 0.00 H new ATOM 0 HB2 ARG B 8 160.807 -8.950 5.556 1.00 0.00 H new ATOM 0 HB3 ARG B 8 159.774 -10.355 5.385 1.00 0.00 H new ATOM 0 HG2 ARG B 8 160.010 -10.220 2.885 1.00 0.00 H new ATOM 0 HG3 ARG B 8 161.048 -8.819 3.060 1.00 0.00 H new ATOM 0 HD2 ARG B 8 162.638 -10.211 4.459 1.00 0.00 H new ATOM 0 HD3 ARG B 8 161.618 -11.610 4.185 1.00 0.00 H new ATOM 0 HE ARG B 8 162.144 -10.616 1.577 1.00 0.00 H new ATOM 0 HH11 ARG B 8 163.906 -11.710 4.396 1.00 0.00 H new ATOM 0 HH12 ARG B 8 165.294 -12.276 3.460 1.00 0.00 H new ATOM 0 HH21 ARG B 8 163.924 -11.327 0.387 1.00 0.00 H new ATOM 0 HH22 ARG B 8 165.304 -12.061 1.211 1.00 0.00 H new ATOM 1545 N ASP B 9 158.438 -7.511 6.842 1.00 0.00 N ATOM 1546 CA ASP B 9 157.705 -7.368 8.128 1.00 0.00 C ATOM 1547 C ASP B 9 156.314 -6.791 7.875 1.00 0.00 C ATOM 1548 O ASP B 9 155.348 -7.183 8.494 1.00 0.00 O ATOM 1549 CB ASP B 9 158.478 -6.444 9.069 1.00 0.00 C ATOM 1550 CG ASP B 9 159.753 -7.143 9.540 1.00 0.00 C ATOM 1551 OD1 ASP B 9 159.807 -8.358 9.451 1.00 0.00 O ATOM 1552 OD2 ASP B 9 160.655 -6.452 9.987 1.00 0.00 O ATOM 0 H ASP B 9 159.209 -6.857 6.706 1.00 0.00 H new ATOM 0 HA ASP B 9 157.608 -8.351 8.588 1.00 0.00 H new ATOM 0 HB2 ASP B 9 158.728 -5.514 8.558 1.00 0.00 H new ATOM 0 HB3 ASP B 9 157.858 -6.180 9.926 1.00 0.00 H new ATOM 1557 N PHE B 10 156.205 -5.846 6.986 1.00 0.00 N ATOM 1558 CA PHE B 10 154.872 -5.234 6.722 1.00 0.00 C ATOM 1559 C PHE B 10 153.931 -6.257 6.077 1.00 0.00 C ATOM 1560 O PHE B 10 152.777 -6.362 6.439 1.00 0.00 O ATOM 1561 CB PHE B 10 155.034 -4.039 5.781 1.00 0.00 C ATOM 1562 CG PHE B 10 153.725 -3.292 5.694 1.00 0.00 C ATOM 1563 CD1 PHE B 10 152.768 -3.662 4.741 1.00 0.00 C ATOM 1564 CD2 PHE B 10 153.465 -2.233 6.573 1.00 0.00 C ATOM 1565 CE1 PHE B 10 151.552 -2.971 4.666 1.00 0.00 C ATOM 1566 CE2 PHE B 10 152.249 -1.542 6.498 1.00 0.00 C ATOM 1567 CZ PHE B 10 151.293 -1.911 5.545 1.00 0.00 C ATOM 0 H PHE B 10 156.976 -5.471 6.433 1.00 0.00 H new ATOM 0 HA PHE B 10 154.446 -4.906 7.670 1.00 0.00 H new ATOM 0 HB2 PHE B 10 155.820 -3.378 6.146 1.00 0.00 H new ATOM 0 HB3 PHE B 10 155.338 -4.379 4.791 1.00 0.00 H new ATOM 0 HD1 PHE B 10 152.967 -4.480 4.064 1.00 0.00 H new ATOM 0 HD2 PHE B 10 154.203 -1.949 7.309 1.00 0.00 H new ATOM 0 HE1 PHE B 10 150.814 -3.255 3.931 1.00 0.00 H new ATOM 0 HE2 PHE B 10 152.049 -0.725 7.175 1.00 0.00 H new ATOM 0 HZ PHE B 10 150.355 -1.379 5.487 1.00 0.00 H new ATOM 1577 N VAL B 11 154.404 -7.002 5.113 1.00 0.00 N ATOM 1578 CA VAL B 11 153.522 -8.004 4.438 1.00 0.00 C ATOM 1579 C VAL B 11 153.508 -9.318 5.228 1.00 0.00 C ATOM 1580 O VAL B 11 153.067 -10.338 4.734 1.00 0.00 O ATOM 1581 CB VAL B 11 154.047 -8.262 3.021 1.00 0.00 C ATOM 1582 CG1 VAL B 11 154.190 -6.929 2.278 1.00 0.00 C ATOM 1583 CG2 VAL B 11 155.409 -8.954 3.102 1.00 0.00 C ATOM 0 H VAL B 11 155.361 -6.961 4.763 1.00 0.00 H new ATOM 0 HA VAL B 11 152.506 -7.613 4.392 1.00 0.00 H new ATOM 0 HB VAL B 11 153.347 -8.901 2.483 1.00 0.00 H new ATOM 0 HG11 VAL B 11 154.563 -7.112 1.270 1.00 0.00 H new ATOM 0 HG12 VAL B 11 153.219 -6.438 2.221 1.00 0.00 H new ATOM 0 HG13 VAL B 11 154.890 -6.287 2.813 1.00 0.00 H new ATOM 0 HG21 VAL B 11 155.784 -9.138 2.095 1.00 0.00 H new ATOM 0 HG22 VAL B 11 156.110 -8.315 3.639 1.00 0.00 H new ATOM 0 HG23 VAL B 11 155.305 -9.902 3.629 1.00 0.00 H new ATOM 1593 N ALA B 12 153.987 -9.302 6.450 1.00 0.00 N ATOM 1594 CA ALA B 12 154.008 -10.549 7.287 1.00 0.00 C ATOM 1595 C ALA B 12 153.011 -10.435 8.446 1.00 0.00 C ATOM 1596 O ALA B 12 152.728 -11.403 9.124 1.00 0.00 O ATOM 1597 CB ALA B 12 155.416 -10.747 7.849 1.00 0.00 C ATOM 0 H ALA B 12 154.367 -8.474 6.908 1.00 0.00 H new ATOM 0 HA ALA B 12 153.727 -11.399 6.666 1.00 0.00 H new ATOM 0 HB1 ALA B 12 155.441 -11.650 8.458 1.00 0.00 H new ATOM 0 HB2 ALA B 12 156.125 -10.844 7.027 1.00 0.00 H new ATOM 0 HB3 ALA B 12 155.687 -9.888 8.463 1.00 0.00 H new ATOM 1603 N GLU B 13 152.468 -9.270 8.679 1.00 0.00 N ATOM 1604 CA GLU B 13 151.482 -9.113 9.794 1.00 0.00 C ATOM 1605 C GLU B 13 150.543 -7.938 9.474 1.00 0.00 C ATOM 1606 O GLU B 13 150.931 -7.012 8.793 1.00 0.00 O ATOM 1607 CB GLU B 13 152.232 -8.831 11.100 1.00 0.00 C ATOM 1608 CG GLU B 13 153.204 -7.670 10.892 1.00 0.00 C ATOM 1609 CD GLU B 13 153.871 -7.311 12.222 1.00 0.00 C ATOM 1610 OE1 GLU B 13 153.475 -7.869 13.231 1.00 0.00 O ATOM 1611 OE2 GLU B 13 154.767 -6.483 12.206 1.00 0.00 O ATOM 0 H GLU B 13 152.662 -8.421 8.148 1.00 0.00 H new ATOM 0 HA GLU B 13 150.899 -10.027 9.903 1.00 0.00 H new ATOM 0 HB2 GLU B 13 151.524 -8.588 11.893 1.00 0.00 H new ATOM 0 HB3 GLU B 13 152.775 -9.721 11.419 1.00 0.00 H new ATOM 0 HG2 GLU B 13 153.961 -7.944 10.157 1.00 0.00 H new ATOM 0 HG3 GLU B 13 152.673 -6.805 10.495 1.00 0.00 H new ATOM 1618 N PRO B 14 149.324 -7.952 9.970 1.00 0.00 N ATOM 1619 CA PRO B 14 148.358 -6.842 9.726 1.00 0.00 C ATOM 1620 C PRO B 14 149.031 -5.465 9.797 1.00 0.00 C ATOM 1621 O PRO B 14 150.100 -5.317 10.355 1.00 0.00 O ATOM 1622 CB PRO B 14 147.340 -7.012 10.854 1.00 0.00 C ATOM 1623 CG PRO B 14 147.307 -8.485 11.113 1.00 0.00 C ATOM 1624 CD PRO B 14 148.720 -9.011 10.808 1.00 0.00 C ATOM 0 HA PRO B 14 147.916 -6.886 8.730 1.00 0.00 H new ATOM 0 HB2 PRO B 14 147.639 -6.459 11.745 1.00 0.00 H new ATOM 0 HB3 PRO B 14 146.358 -6.639 10.562 1.00 0.00 H new ATOM 0 HG2 PRO B 14 147.030 -8.691 12.147 1.00 0.00 H new ATOM 0 HG3 PRO B 14 146.566 -8.974 10.481 1.00 0.00 H new ATOM 0 HD2 PRO B 14 149.292 -9.171 11.722 1.00 0.00 H new ATOM 0 HD3 PRO B 14 148.686 -9.965 10.282 1.00 0.00 H new ATOM 1632 N MET B 15 148.420 -4.457 9.231 1.00 0.00 N ATOM 1633 CA MET B 15 149.035 -3.096 9.265 1.00 0.00 C ATOM 1634 C MET B 15 148.584 -2.359 10.529 1.00 0.00 C ATOM 1635 O MET B 15 149.217 -1.421 10.973 1.00 0.00 O ATOM 1636 CB MET B 15 148.594 -2.305 8.028 1.00 0.00 C ATOM 1637 CG MET B 15 147.089 -2.489 7.806 1.00 0.00 C ATOM 1638 SD MET B 15 146.465 -1.144 6.763 1.00 0.00 S ATOM 1639 CE MET B 15 146.906 -1.853 5.157 1.00 0.00 C ATOM 0 H MET B 15 147.524 -4.517 8.748 1.00 0.00 H new ATOM 0 HA MET B 15 150.121 -3.190 9.269 1.00 0.00 H new ATOM 0 HB2 MET B 15 148.825 -1.248 8.159 1.00 0.00 H new ATOM 0 HB3 MET B 15 149.145 -2.646 7.151 1.00 0.00 H new ATOM 0 HG2 MET B 15 146.895 -3.451 7.332 1.00 0.00 H new ATOM 0 HG3 MET B 15 146.567 -2.494 8.763 1.00 0.00 H new ATOM 0 HE1 MET B 15 147.131 -1.051 4.455 1.00 0.00 H new ATOM 0 HE2 MET B 15 147.781 -2.493 5.270 1.00 0.00 H new ATOM 0 HE3 MET B 15 146.071 -2.443 4.778 1.00 0.00 H new ATOM 1649 N GLY B 16 147.496 -2.780 11.114 1.00 0.00 N ATOM 1650 CA GLY B 16 147.005 -2.111 12.354 1.00 0.00 C ATOM 1651 C GLY B 16 146.973 -0.595 12.151 1.00 0.00 C ATOM 1652 O GLY B 16 146.583 -0.108 11.109 1.00 0.00 O ATOM 0 H GLY B 16 146.925 -3.559 10.787 1.00 0.00 H new ATOM 0 HA2 GLY B 16 146.008 -2.474 12.603 1.00 0.00 H new ATOM 0 HA3 GLY B 16 147.654 -2.360 13.193 1.00 0.00 H new ATOM 1656 N GLU B 17 147.358 0.155 13.155 1.00 0.00 N ATOM 1657 CA GLU B 17 147.329 1.650 13.053 1.00 0.00 C ATOM 1658 C GLU B 17 148.746 2.202 12.884 1.00 0.00 C ATOM 1659 O GLU B 17 149.041 3.304 13.303 1.00 0.00 O ATOM 1660 CB GLU B 17 146.710 2.225 14.330 1.00 0.00 C ATOM 1661 CG GLU B 17 145.215 1.894 14.361 1.00 0.00 C ATOM 1662 CD GLU B 17 144.586 2.465 15.634 1.00 0.00 C ATOM 1663 OE1 GLU B 17 145.329 2.930 16.483 1.00 0.00 O ATOM 1664 OE2 GLU B 17 143.372 2.422 15.740 1.00 0.00 O ATOM 0 H GLU B 17 147.694 -0.206 14.048 1.00 0.00 H new ATOM 0 HA GLU B 17 146.735 1.936 12.185 1.00 0.00 H new ATOM 0 HB2 GLU B 17 147.205 1.808 15.207 1.00 0.00 H new ATOM 0 HB3 GLU B 17 146.856 3.305 14.364 1.00 0.00 H new ATOM 0 HG2 GLU B 17 144.722 2.310 13.482 1.00 0.00 H new ATOM 0 HG3 GLU B 17 145.071 0.814 14.326 1.00 0.00 H new ATOM 1671 N LYS B 18 149.630 1.458 12.274 1.00 0.00 N ATOM 1672 CA LYS B 18 151.021 1.963 12.087 1.00 0.00 C ATOM 1673 C LYS B 18 150.969 3.248 11.241 1.00 0.00 C ATOM 1674 O LYS B 18 150.084 3.415 10.425 1.00 0.00 O ATOM 1675 CB LYS B 18 151.850 0.901 11.355 1.00 0.00 C ATOM 1676 CG LYS B 18 152.113 -0.288 12.284 1.00 0.00 C ATOM 1677 CD LYS B 18 153.154 -1.211 11.643 1.00 0.00 C ATOM 1678 CE LYS B 18 153.257 -2.508 12.449 1.00 0.00 C ATOM 1679 NZ LYS B 18 153.587 -2.188 13.866 1.00 0.00 N ATOM 0 H LYS B 18 149.450 0.527 11.899 1.00 0.00 H new ATOM 0 HA LYS B 18 151.478 2.174 13.054 1.00 0.00 H new ATOM 0 HB2 LYS B 18 151.321 0.566 10.463 1.00 0.00 H new ATOM 0 HB3 LYS B 18 152.795 1.330 11.023 1.00 0.00 H new ATOM 0 HG2 LYS B 18 152.469 0.064 13.252 1.00 0.00 H new ATOM 0 HG3 LYS B 18 151.188 -0.835 12.465 1.00 0.00 H new ATOM 0 HD2 LYS B 18 152.873 -1.432 10.613 1.00 0.00 H new ATOM 0 HD3 LYS B 18 154.124 -0.714 11.609 1.00 0.00 H new ATOM 0 HE2 LYS B 18 152.316 -3.056 12.398 1.00 0.00 H new ATOM 0 HE3 LYS B 18 154.025 -3.154 12.023 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 153.953 -3.039 14.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 154.309 -1.440 13.894 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 152.730 -1.861 14.357 1.00 0.00 H new ATOM 1693 N PRO B 19 151.896 4.161 11.439 1.00 0.00 N ATOM 1694 CA PRO B 19 151.925 5.456 10.685 1.00 0.00 C ATOM 1695 C PRO B 19 152.189 5.270 9.184 1.00 0.00 C ATOM 1696 O PRO B 19 152.735 4.275 8.753 1.00 0.00 O ATOM 1697 CB PRO B 19 153.067 6.246 11.355 1.00 0.00 C ATOM 1698 CG PRO B 19 153.946 5.204 11.968 1.00 0.00 C ATOM 1699 CD PRO B 19 153.015 4.070 12.396 1.00 0.00 C ATOM 0 HA PRO B 19 150.962 5.965 10.728 1.00 0.00 H new ATOM 0 HB2 PRO B 19 153.613 6.845 10.627 1.00 0.00 H new ATOM 0 HB3 PRO B 19 152.683 6.933 12.109 1.00 0.00 H new ATOM 0 HG2 PRO B 19 154.689 4.850 11.254 1.00 0.00 H new ATOM 0 HG3 PRO B 19 154.491 5.606 12.822 1.00 0.00 H new ATOM 0 HD2 PRO B 19 153.512 3.101 12.341 1.00 0.00 H new ATOM 0 HD3 PRO B 19 152.675 4.197 13.424 1.00 0.00 H new ATOM 1707 N VAL B 20 151.783 6.228 8.391 1.00 0.00 N ATOM 1708 CA VAL B 20 151.980 6.133 6.915 1.00 0.00 C ATOM 1709 C VAL B 20 153.458 5.903 6.581 1.00 0.00 C ATOM 1710 O VAL B 20 153.794 5.142 5.696 1.00 0.00 O ATOM 1711 CB VAL B 20 151.491 7.430 6.248 1.00 0.00 C ATOM 1712 CG1 VAL B 20 152.120 8.643 6.943 1.00 0.00 C ATOM 1713 CG2 VAL B 20 151.885 7.433 4.764 1.00 0.00 C ATOM 0 H VAL B 20 151.319 7.080 8.707 1.00 0.00 H new ATOM 0 HA VAL B 20 151.405 5.287 6.538 1.00 0.00 H new ATOM 0 HB VAL B 20 150.406 7.485 6.336 1.00 0.00 H new ATOM 0 HG11 VAL B 20 151.769 9.558 6.466 1.00 0.00 H new ATOM 0 HG12 VAL B 20 151.833 8.649 7.994 1.00 0.00 H new ATOM 0 HG13 VAL B 20 153.206 8.585 6.864 1.00 0.00 H new ATOM 0 HG21 VAL B 20 151.536 8.354 4.297 1.00 0.00 H new ATOM 0 HG22 VAL B 20 152.970 7.369 4.675 1.00 0.00 H new ATOM 0 HG23 VAL B 20 151.429 6.578 4.265 1.00 0.00 H new ATOM 1723 N GLY B 21 154.342 6.577 7.272 1.00 0.00 N ATOM 1724 CA GLY B 21 155.797 6.426 6.988 1.00 0.00 C ATOM 1725 C GLY B 21 156.234 4.977 7.209 1.00 0.00 C ATOM 1726 O GLY B 21 157.376 4.627 6.985 1.00 0.00 O ATOM 0 H GLY B 21 154.115 7.228 8.024 1.00 0.00 H new ATOM 0 HA2 GLY B 21 156.007 6.723 5.961 1.00 0.00 H new ATOM 0 HA3 GLY B 21 156.371 7.089 7.635 1.00 0.00 H new ATOM 1730 N SER B 22 155.344 4.122 7.637 1.00 0.00 N ATOM 1731 CA SER B 22 155.732 2.699 7.854 1.00 0.00 C ATOM 1732 C SER B 22 155.708 1.968 6.513 1.00 0.00 C ATOM 1733 O SER B 22 156.331 0.940 6.342 1.00 0.00 O ATOM 1734 CB SER B 22 154.742 2.034 8.811 1.00 0.00 C ATOM 1735 OG SER B 22 154.860 2.628 10.097 1.00 0.00 O ATOM 0 H SER B 22 154.371 4.346 7.845 1.00 0.00 H new ATOM 0 HA SER B 22 156.732 2.655 8.285 1.00 0.00 H new ATOM 0 HB2 SER B 22 153.725 2.148 8.437 1.00 0.00 H new ATOM 0 HB3 SER B 22 154.941 0.964 8.872 1.00 0.00 H new ATOM 0 HG SER B 22 154.952 1.926 10.774 1.00 0.00 H new ATOM 1741 N LEU B 23 154.989 2.492 5.557 1.00 0.00 N ATOM 1742 CA LEU B 23 154.923 1.827 4.227 1.00 0.00 C ATOM 1743 C LEU B 23 156.298 1.862 3.564 1.00 0.00 C ATOM 1744 O LEU B 23 157.014 2.841 3.626 1.00 0.00 O ATOM 1745 CB LEU B 23 153.910 2.551 3.340 1.00 0.00 C ATOM 1746 CG LEU B 23 152.516 2.492 3.980 1.00 0.00 C ATOM 1747 CD1 LEU B 23 151.541 3.310 3.127 1.00 0.00 C ATOM 1748 CD2 LEU B 23 152.033 1.030 4.066 1.00 0.00 C ATOM 0 H LEU B 23 154.446 3.351 5.641 1.00 0.00 H new ATOM 0 HA LEU B 23 154.613 0.791 4.360 1.00 0.00 H new ATOM 0 HB2 LEU B 23 154.212 3.589 3.201 1.00 0.00 H new ATOM 0 HB3 LEU B 23 153.885 2.091 2.352 1.00 0.00 H new ATOM 0 HG LEU B 23 152.562 2.905 4.988 1.00 0.00 H new ATOM 0 HD11 LEU B 23 150.548 3.274 3.574 1.00 0.00 H new ATOM 0 HD12 LEU B 23 151.880 4.345 3.079 1.00 0.00 H new ATOM 0 HD13 LEU B 23 151.501 2.894 2.120 1.00 0.00 H new ATOM 0 HD21 LEU B 23 151.043 1.000 4.522 1.00 0.00 H new ATOM 0 HD22 LEU B 23 151.984 0.603 3.064 1.00 0.00 H new ATOM 0 HD23 LEU B 23 152.730 0.452 4.673 1.00 0.00 H new ATOM 1760 N ALA B 24 156.660 0.791 2.928 1.00 0.00 N ATOM 1761 CA ALA B 24 157.983 0.741 2.251 1.00 0.00 C ATOM 1762 C ALA B 24 158.021 1.759 1.106 1.00 0.00 C ATOM 1763 O ALA B 24 157.087 1.893 0.341 1.00 0.00 O ATOM 1764 CB ALA B 24 158.213 -0.662 1.691 1.00 0.00 C ATOM 0 H ALA B 24 156.097 -0.056 2.846 1.00 0.00 H new ATOM 0 HA ALA B 24 158.765 0.982 2.971 1.00 0.00 H new ATOM 0 HB1 ALA B 24 159.182 -0.701 1.194 1.00 0.00 H new ATOM 0 HB2 ALA B 24 158.193 -1.386 2.505 1.00 0.00 H new ATOM 0 HB3 ALA B 24 157.428 -0.901 0.974 1.00 0.00 H new ATOM 1770 N GLY B 25 159.107 2.476 0.995 1.00 0.00 N ATOM 1771 CA GLY B 25 159.241 3.498 -0.092 1.00 0.00 C ATOM 1772 C GLY B 25 158.942 4.889 0.469 1.00 0.00 C ATOM 1773 O GLY B 25 159.334 5.890 -0.095 1.00 0.00 O ATOM 0 H GLY B 25 159.914 2.399 1.613 1.00 0.00 H new ATOM 0 HA2 GLY B 25 160.249 3.472 -0.507 1.00 0.00 H new ATOM 0 HA3 GLY B 25 158.554 3.269 -0.907 1.00 0.00 H new ATOM 1777 N ILE B 26 158.260 4.962 1.584 1.00 0.00 N ATOM 1778 CA ILE B 26 157.945 6.293 2.190 1.00 0.00 C ATOM 1779 C ILE B 26 158.965 6.568 3.293 1.00 0.00 C ATOM 1780 O ILE B 26 159.032 5.850 4.271 1.00 0.00 O ATOM 1781 CB ILE B 26 156.539 6.260 2.799 1.00 0.00 C ATOM 1782 CG1 ILE B 26 155.520 5.795 1.748 1.00 0.00 C ATOM 1783 CG2 ILE B 26 156.163 7.658 3.288 1.00 0.00 C ATOM 1784 CD1 ILE B 26 155.650 6.630 0.468 1.00 0.00 C ATOM 0 H ILE B 26 157.907 4.157 2.102 1.00 0.00 H new ATOM 0 HA ILE B 26 157.987 7.072 1.429 1.00 0.00 H new ATOM 0 HB ILE B 26 156.530 5.563 3.637 1.00 0.00 H new ATOM 0 HG12 ILE B 26 155.679 4.741 1.520 1.00 0.00 H new ATOM 0 HG13 ILE B 26 154.510 5.885 2.147 1.00 0.00 H new ATOM 0 HG21 ILE B 26 155.163 7.635 3.721 1.00 0.00 H new ATOM 0 HG22 ILE B 26 156.878 7.984 4.043 1.00 0.00 H new ATOM 0 HG23 ILE B 26 156.179 8.354 2.449 1.00 0.00 H new ATOM 0 HD11 ILE B 26 154.921 6.287 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE B 26 155.467 7.680 0.698 1.00 0.00 H new ATOM 0 HD13 ILE B 26 156.655 6.518 0.061 1.00 0.00 H new ATOM 1796 N GLY B 27 159.765 7.596 3.163 1.00 0.00 N ATOM 1797 CA GLY B 27 160.771 7.897 4.223 1.00 0.00 C ATOM 1798 C GLY B 27 160.179 8.895 5.222 1.00 0.00 C ATOM 1799 O GLY B 27 159.059 9.346 5.077 1.00 0.00 O ATOM 0 H GLY B 27 159.764 8.238 2.370 1.00 0.00 H new ATOM 0 HA2 GLY B 27 161.059 6.980 4.737 1.00 0.00 H new ATOM 0 HA3 GLY B 27 161.675 8.308 3.774 1.00 0.00 H new ATOM 1803 N GLU B 28 160.916 9.220 6.246 1.00 0.00 N ATOM 1804 CA GLU B 28 160.391 10.166 7.273 1.00 0.00 C ATOM 1805 C GLU B 28 160.014 11.500 6.622 1.00 0.00 C ATOM 1806 O GLU B 28 159.017 12.105 6.967 1.00 0.00 O ATOM 1807 CB GLU B 28 161.467 10.414 8.331 1.00 0.00 C ATOM 1808 CG GLU B 28 161.703 9.134 9.135 1.00 0.00 C ATOM 1809 CD GLU B 28 160.478 8.836 10.001 1.00 0.00 C ATOM 1810 OE1 GLU B 28 159.693 9.743 10.217 1.00 0.00 O ATOM 1811 OE2 GLU B 28 160.348 7.703 10.437 1.00 0.00 O ATOM 0 H GLU B 28 161.859 8.872 6.418 1.00 0.00 H new ATOM 0 HA GLU B 28 159.505 9.729 7.734 1.00 0.00 H new ATOM 0 HB2 GLU B 28 162.394 10.731 7.854 1.00 0.00 H new ATOM 0 HB3 GLU B 28 161.158 11.221 8.996 1.00 0.00 H new ATOM 0 HG2 GLU B 28 161.895 8.300 8.460 1.00 0.00 H new ATOM 0 HG3 GLU B 28 162.586 9.246 9.764 1.00 0.00 H new ATOM 1818 N VAL B 29 160.799 11.974 5.695 1.00 0.00 N ATOM 1819 CA VAL B 29 160.471 13.276 5.046 1.00 0.00 C ATOM 1820 C VAL B 29 159.210 13.119 4.196 1.00 0.00 C ATOM 1821 O VAL B 29 158.328 13.957 4.208 1.00 0.00 O ATOM 1822 CB VAL B 29 161.646 13.713 4.162 1.00 0.00 C ATOM 1823 CG1 VAL B 29 161.245 14.930 3.320 1.00 0.00 C ATOM 1824 CG2 VAL B 29 162.846 14.070 5.047 1.00 0.00 C ATOM 0 H VAL B 29 161.649 11.520 5.360 1.00 0.00 H new ATOM 0 HA VAL B 29 160.294 14.033 5.810 1.00 0.00 H new ATOM 0 HB VAL B 29 161.916 12.894 3.495 1.00 0.00 H new ATOM 0 HG11 VAL B 29 162.085 15.233 2.696 1.00 0.00 H new ATOM 0 HG12 VAL B 29 160.397 14.670 2.686 1.00 0.00 H new ATOM 0 HG13 VAL B 29 160.967 15.753 3.979 1.00 0.00 H new ATOM 0 HG21 VAL B 29 163.681 14.381 4.419 1.00 0.00 H new ATOM 0 HG22 VAL B 29 162.574 14.885 5.718 1.00 0.00 H new ATOM 0 HG23 VAL B 29 163.137 13.199 5.634 1.00 0.00 H new ATOM 1834 N LEU B 30 159.121 12.051 3.452 1.00 0.00 N ATOM 1835 CA LEU B 30 157.926 11.827 2.589 1.00 0.00 C ATOM 1836 C LEU B 30 156.699 11.577 3.466 1.00 0.00 C ATOM 1837 O LEU B 30 155.612 12.035 3.177 1.00 0.00 O ATOM 1838 CB LEU B 30 158.158 10.605 1.697 1.00 0.00 C ATOM 1839 CG LEU B 30 159.383 10.825 0.799 1.00 0.00 C ATOM 1840 CD1 LEU B 30 159.642 9.549 -0.015 1.00 0.00 C ATOM 1841 CD2 LEU B 30 159.135 12.007 -0.156 1.00 0.00 C ATOM 0 H LEU B 30 159.830 11.319 3.404 1.00 0.00 H new ATOM 0 HA LEU B 30 157.762 12.709 1.970 1.00 0.00 H new ATOM 0 HB2 LEU B 30 158.306 9.719 2.314 1.00 0.00 H new ATOM 0 HB3 LEU B 30 157.276 10.422 1.083 1.00 0.00 H new ATOM 0 HG LEU B 30 160.250 11.052 1.419 1.00 0.00 H new ATOM 0 HD11 LEU B 30 160.511 9.697 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU B 30 159.829 8.716 0.663 1.00 0.00 H new ATOM 0 HD13 LEU B 30 158.770 9.327 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU B 30 160.011 12.154 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU B 30 158.268 11.794 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU B 30 158.951 12.911 0.424 1.00 0.00 H new ATOM 1853 N GLY B 31 156.869 10.846 4.529 1.00 0.00 N ATOM 1854 CA GLY B 31 155.713 10.556 5.422 1.00 0.00 C ATOM 1855 C GLY B 31 155.131 11.869 5.945 1.00 0.00 C ATOM 1856 O GLY B 31 153.936 12.010 6.107 1.00 0.00 O ATOM 0 H GLY B 31 157.757 10.436 4.819 1.00 0.00 H new ATOM 0 HA2 GLY B 31 154.950 9.999 4.878 1.00 0.00 H new ATOM 0 HA3 GLY B 31 156.032 9.930 6.255 1.00 0.00 H new ATOM 1860 N LYS B 32 155.972 12.827 6.219 1.00 0.00 N ATOM 1861 CA LYS B 32 155.481 14.133 6.744 1.00 0.00 C ATOM 1862 C LYS B 32 154.626 14.853 5.691 1.00 0.00 C ATOM 1863 O LYS B 32 153.629 15.467 6.016 1.00 0.00 O ATOM 1864 CB LYS B 32 156.682 15.007 7.113 1.00 0.00 C ATOM 1865 CG LYS B 32 156.202 16.275 7.818 1.00 0.00 C ATOM 1866 CD LYS B 32 157.413 17.137 8.180 1.00 0.00 C ATOM 1867 CE LYS B 32 156.942 18.432 8.844 1.00 0.00 C ATOM 1868 NZ LYS B 32 158.124 19.188 9.347 1.00 0.00 N ATOM 0 H LYS B 32 156.983 12.762 6.102 1.00 0.00 H new ATOM 0 HA LYS B 32 154.865 13.952 7.625 1.00 0.00 H new ATOM 0 HB2 LYS B 32 157.360 14.454 7.762 1.00 0.00 H new ATOM 0 HB3 LYS B 32 157.242 15.269 6.215 1.00 0.00 H new ATOM 0 HG2 LYS B 32 155.525 16.832 7.170 1.00 0.00 H new ATOM 0 HG3 LYS B 32 155.643 16.016 8.717 1.00 0.00 H new ATOM 0 HD2 LYS B 32 158.073 16.590 8.854 1.00 0.00 H new ATOM 0 HD3 LYS B 32 157.990 17.365 7.284 1.00 0.00 H new ATOM 0 HE2 LYS B 32 156.386 19.039 8.130 1.00 0.00 H new ATOM 0 HE3 LYS B 32 156.264 18.206 9.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 157.806 20.069 9.799 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 158.637 18.608 10.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 158.755 19.415 8.552 1.00 0.00 H new ATOM 1882 N LYS B 33 155.009 14.809 4.442 1.00 0.00 N ATOM 1883 CA LYS B 33 154.208 15.525 3.402 1.00 0.00 C ATOM 1884 C LYS B 33 152.835 14.866 3.246 1.00 0.00 C ATOM 1885 O LYS B 33 151.818 15.532 3.238 1.00 0.00 O ATOM 1886 CB LYS B 33 154.953 15.466 2.068 1.00 0.00 C ATOM 1887 CG LYS B 33 156.200 16.347 2.146 1.00 0.00 C ATOM 1888 CD LYS B 33 156.950 16.293 0.814 1.00 0.00 C ATOM 1889 CE LYS B 33 158.196 17.176 0.897 1.00 0.00 C ATOM 1890 NZ LYS B 33 157.797 18.572 1.235 1.00 0.00 N ATOM 0 H LYS B 33 155.832 14.315 4.098 1.00 0.00 H new ATOM 0 HA LYS B 33 154.070 16.562 3.707 1.00 0.00 H new ATOM 0 HB2 LYS B 33 155.234 14.438 1.840 1.00 0.00 H new ATOM 0 HB3 LYS B 33 154.304 15.805 1.261 1.00 0.00 H new ATOM 0 HG2 LYS B 33 155.918 17.375 2.375 1.00 0.00 H new ATOM 0 HG3 LYS B 33 156.848 16.007 2.954 1.00 0.00 H new ATOM 0 HD2 LYS B 33 157.233 15.266 0.585 1.00 0.00 H new ATOM 0 HD3 LYS B 33 156.303 16.633 0.006 1.00 0.00 H new ATOM 0 HE2 LYS B 33 158.879 16.789 1.653 1.00 0.00 H new ATOM 0 HE3 LYS B 33 158.730 17.159 -0.053 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 158.573 19.222 0.997 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 156.949 18.832 0.692 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 157.590 18.637 2.252 1.00 0.00 H new ATOM 1904 N LEU B 34 152.787 13.568 3.141 1.00 0.00 N ATOM 1905 CA LEU B 34 151.468 12.886 3.011 1.00 0.00 C ATOM 1906 C LEU B 34 150.634 13.211 4.254 1.00 0.00 C ATOM 1907 O LEU B 34 149.443 13.443 4.184 1.00 0.00 O ATOM 1908 CB LEU B 34 151.681 11.371 2.897 1.00 0.00 C ATOM 1909 CG LEU B 34 152.321 11.023 1.543 1.00 0.00 C ATOM 1910 CD1 LEU B 34 152.930 9.619 1.618 1.00 0.00 C ATOM 1911 CD2 LEU B 34 151.262 11.048 0.422 1.00 0.00 C ATOM 0 H LEU B 34 153.599 12.951 3.139 1.00 0.00 H new ATOM 0 HA LEU B 34 150.948 13.231 2.117 1.00 0.00 H new ATOM 0 HB2 LEU B 34 152.320 11.025 3.709 1.00 0.00 H new ATOM 0 HB3 LEU B 34 150.727 10.854 3.000 1.00 0.00 H new ATOM 0 HG LEU B 34 153.093 11.760 1.321 1.00 0.00 H new ATOM 0 HD11 LEU B 34 153.385 9.368 0.660 1.00 0.00 H new ATOM 0 HD12 LEU B 34 153.690 9.593 2.399 1.00 0.00 H new ATOM 0 HD13 LEU B 34 152.148 8.895 1.849 1.00 0.00 H new ATOM 0 HD21 LEU B 34 151.733 10.799 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU B 34 150.482 10.319 0.642 1.00 0.00 H new ATOM 0 HD23 LEU B 34 150.822 12.043 0.360 1.00 0.00 H new ATOM 1923 N GLU B 35 151.271 13.227 5.389 1.00 0.00 N ATOM 1924 CA GLU B 35 150.539 13.534 6.653 1.00 0.00 C ATOM 1925 C GLU B 35 149.915 14.931 6.571 1.00 0.00 C ATOM 1926 O GLU B 35 148.797 15.144 6.992 1.00 0.00 O ATOM 1927 CB GLU B 35 151.515 13.460 7.832 1.00 0.00 C ATOM 1928 CG GLU B 35 150.785 13.772 9.140 1.00 0.00 C ATOM 1929 CD GLU B 35 151.759 13.627 10.311 1.00 0.00 C ATOM 1930 OE1 GLU B 35 152.850 13.128 10.089 1.00 0.00 O ATOM 1931 OE2 GLU B 35 151.397 14.017 11.409 1.00 0.00 O ATOM 0 H GLU B 35 152.268 13.041 5.499 1.00 0.00 H new ATOM 0 HA GLU B 35 149.741 12.805 6.798 1.00 0.00 H new ATOM 0 HB2 GLU B 35 151.961 12.467 7.883 1.00 0.00 H new ATOM 0 HB3 GLU B 35 152.331 14.168 7.684 1.00 0.00 H new ATOM 0 HG2 GLU B 35 150.381 14.784 9.112 1.00 0.00 H new ATOM 0 HG3 GLU B 35 149.941 13.095 9.269 1.00 0.00 H new ATOM 1938 N GLU B 36 150.622 15.883 6.026 1.00 0.00 N ATOM 1939 CA GLU B 36 150.056 17.258 5.914 1.00 0.00 C ATOM 1940 C GLU B 36 148.901 17.238 4.912 1.00 0.00 C ATOM 1941 O GLU B 36 148.073 18.126 4.879 1.00 0.00 O ATOM 1942 CB GLU B 36 151.134 18.228 5.424 1.00 0.00 C ATOM 1943 CG GLU B 36 152.180 18.437 6.522 1.00 0.00 C ATOM 1944 CD GLU B 36 153.254 19.407 6.024 1.00 0.00 C ATOM 1945 OE1 GLU B 36 153.231 19.733 4.849 1.00 0.00 O ATOM 1946 OE2 GLU B 36 154.083 19.807 6.827 1.00 0.00 O ATOM 0 H GLU B 36 151.565 15.769 5.654 1.00 0.00 H new ATOM 0 HA GLU B 36 149.700 17.585 6.891 1.00 0.00 H new ATOM 0 HB2 GLU B 36 151.610 17.834 4.526 1.00 0.00 H new ATOM 0 HB3 GLU B 36 150.682 19.182 5.153 1.00 0.00 H new ATOM 0 HG2 GLU B 36 151.706 18.832 7.420 1.00 0.00 H new ATOM 0 HG3 GLU B 36 152.633 17.484 6.794 1.00 0.00 H new ATOM 1953 N ARG B 37 148.859 16.237 4.077 1.00 0.00 N ATOM 1954 CA ARG B 37 147.777 16.165 3.050 1.00 0.00 C ATOM 1955 C ARG B 37 146.561 15.405 3.599 1.00 0.00 C ATOM 1956 O ARG B 37 145.570 15.253 2.914 1.00 0.00 O ATOM 1957 CB ARG B 37 148.305 15.454 1.802 1.00 0.00 C ATOM 1958 CG ARG B 37 149.365 16.330 1.112 1.00 0.00 C ATOM 1959 CD ARG B 37 148.724 17.616 0.550 1.00 0.00 C ATOM 1960 NE ARG B 37 149.423 18.015 -0.714 1.00 0.00 N ATOM 1961 CZ ARG B 37 150.727 18.091 -0.776 1.00 0.00 C ATOM 1962 NH1 ARG B 37 151.448 18.002 0.307 1.00 0.00 N ATOM 1963 NH2 ARG B 37 151.308 18.315 -1.925 1.00 0.00 N ATOM 0 H ARG B 37 149.526 15.465 4.060 1.00 0.00 H new ATOM 0 HA ARG B 37 147.468 17.179 2.795 1.00 0.00 H new ATOM 0 HB2 ARG B 37 148.738 14.492 2.076 1.00 0.00 H new ATOM 0 HB3 ARG B 37 147.485 15.250 1.114 1.00 0.00 H new ATOM 0 HG2 ARG B 37 150.150 16.589 1.823 1.00 0.00 H new ATOM 0 HG3 ARG B 37 149.838 15.770 0.305 1.00 0.00 H new ATOM 0 HD2 ARG B 37 147.664 17.451 0.355 1.00 0.00 H new ATOM 0 HD3 ARG B 37 148.792 18.419 1.284 1.00 0.00 H new ATOM 0 HE ARG B 37 148.870 18.232 -1.543 1.00 0.00 H new ATOM 0 HH11 ARG B 37 150.995 17.872 1.212 1.00 0.00 H new ATOM 0 HH12 ARG B 37 152.465 18.062 0.249 1.00 0.00 H new ATOM 0 HH21 ARG B 37 150.745 18.430 -2.768 1.00 0.00 H new ATOM 0 HH22 ARG B 37 152.325 18.375 -1.979 1.00 0.00 H new ATOM 1977 N GLY B 38 146.604 14.963 4.837 1.00 0.00 N ATOM 1978 CA GLY B 38 145.415 14.257 5.431 1.00 0.00 C ATOM 1979 C GLY B 38 145.643 12.745 5.532 1.00 0.00 C ATOM 1980 O GLY B 38 144.752 12.012 5.915 1.00 0.00 O ATOM 0 H GLY B 38 147.406 15.059 5.460 1.00 0.00 H new ATOM 0 HA2 GLY B 38 145.211 14.661 6.423 1.00 0.00 H new ATOM 0 HA3 GLY B 38 144.534 14.452 4.820 1.00 0.00 H new ATOM 1984 N PHE B 39 146.814 12.263 5.211 1.00 0.00 N ATOM 1985 CA PHE B 39 147.081 10.790 5.313 1.00 0.00 C ATOM 1986 C PHE B 39 147.927 10.534 6.562 1.00 0.00 C ATOM 1987 O PHE B 39 149.110 10.272 6.480 1.00 0.00 O ATOM 1988 CB PHE B 39 147.865 10.339 4.085 1.00 0.00 C ATOM 1989 CG PHE B 39 147.007 10.482 2.855 1.00 0.00 C ATOM 1990 CD1 PHE B 39 146.196 9.424 2.440 1.00 0.00 C ATOM 1991 CD2 PHE B 39 147.023 11.678 2.137 1.00 0.00 C ATOM 1992 CE1 PHE B 39 145.395 9.563 1.300 1.00 0.00 C ATOM 1993 CE2 PHE B 39 146.221 11.821 0.999 1.00 0.00 C ATOM 1994 CZ PHE B 39 145.406 10.763 0.579 1.00 0.00 C ATOM 0 H PHE B 39 147.601 12.823 4.882 1.00 0.00 H new ATOM 0 HA PHE B 39 146.141 10.242 5.373 1.00 0.00 H new ATOM 0 HB2 PHE B 39 148.771 10.936 3.980 1.00 0.00 H new ATOM 0 HB3 PHE B 39 148.179 9.302 4.203 1.00 0.00 H new ATOM 0 HD1 PHE B 39 146.186 8.499 2.998 1.00 0.00 H new ATOM 0 HD2 PHE B 39 147.654 12.493 2.459 1.00 0.00 H new ATOM 0 HE1 PHE B 39 144.769 8.745 0.977 1.00 0.00 H new ATOM 0 HE2 PHE B 39 146.231 12.748 0.445 1.00 0.00 H new ATOM 0 HZ PHE B 39 144.787 10.872 -0.299 1.00 0.00 H new ATOM 2004 N ASP B 40 147.329 10.629 7.719 1.00 0.00 N ATOM 2005 CA ASP B 40 148.104 10.416 8.977 1.00 0.00 C ATOM 2006 C ASP B 40 148.226 8.921 9.290 1.00 0.00 C ATOM 2007 O ASP B 40 148.995 8.530 10.145 1.00 0.00 O ATOM 2008 CB ASP B 40 147.393 11.121 10.134 1.00 0.00 C ATOM 2009 CG ASP B 40 145.989 10.538 10.305 1.00 0.00 C ATOM 2010 OD1 ASP B 40 145.457 10.030 9.332 1.00 0.00 O ATOM 2011 OD2 ASP B 40 145.472 10.605 11.408 1.00 0.00 O ATOM 0 H ASP B 40 146.340 10.844 7.848 1.00 0.00 H new ATOM 0 HA ASP B 40 149.105 10.828 8.847 1.00 0.00 H new ATOM 0 HB2 ASP B 40 147.964 10.997 11.054 1.00 0.00 H new ATOM 0 HB3 ASP B 40 147.332 12.192 9.938 1.00 0.00 H new ATOM 2016 N LYS B 41 147.468 8.081 8.622 1.00 0.00 N ATOM 2017 CA LYS B 41 147.542 6.608 8.901 1.00 0.00 C ATOM 2018 C LYS B 41 147.710 5.844 7.586 1.00 0.00 C ATOM 2019 O LYS B 41 147.288 6.285 6.536 1.00 0.00 O ATOM 2020 CB LYS B 41 146.251 6.151 9.584 1.00 0.00 C ATOM 2021 CG LYS B 41 146.048 6.901 10.909 1.00 0.00 C ATOM 2022 CD LYS B 41 146.995 6.362 11.988 1.00 0.00 C ATOM 2023 CE LYS B 41 146.598 6.949 13.344 1.00 0.00 C ATOM 2024 NZ LYS B 41 146.783 8.427 13.317 1.00 0.00 N ATOM 0 H LYS B 41 146.803 8.351 7.897 1.00 0.00 H new ATOM 0 HA LYS B 41 148.393 6.409 9.552 1.00 0.00 H new ATOM 0 HB2 LYS B 41 145.401 6.329 8.925 1.00 0.00 H new ATOM 0 HB3 LYS B 41 146.291 5.078 9.769 1.00 0.00 H new ATOM 0 HG2 LYS B 41 146.226 7.966 10.761 1.00 0.00 H new ATOM 0 HG3 LYS B 41 145.015 6.794 11.239 1.00 0.00 H new ATOM 0 HD2 LYS B 41 146.946 5.274 12.021 1.00 0.00 H new ATOM 0 HD3 LYS B 41 148.025 6.628 11.751 1.00 0.00 H new ATOM 0 HE2 LYS B 41 145.559 6.706 13.568 1.00 0.00 H new ATOM 0 HE3 LYS B 41 147.206 6.510 14.135 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 146.712 8.803 14.284 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 147.720 8.653 12.926 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 146.047 8.858 12.723 1.00 0.00 H new ATOM 2038 N ALA B 42 148.344 4.705 7.644 1.00 0.00 N ATOM 2039 CA ALA B 42 148.573 3.899 6.407 1.00 0.00 C ATOM 2040 C ALA B 42 147.251 3.397 5.806 1.00 0.00 C ATOM 2041 O ALA B 42 147.094 3.365 4.601 1.00 0.00 O ATOM 2042 CB ALA B 42 149.453 2.696 6.750 1.00 0.00 C ATOM 0 H ALA B 42 148.716 4.294 8.500 1.00 0.00 H new ATOM 0 HA ALA B 42 149.061 4.538 5.671 1.00 0.00 H new ATOM 0 HB1 ALA B 42 149.625 2.103 5.852 1.00 0.00 H new ATOM 0 HB2 ALA B 42 150.408 3.044 7.143 1.00 0.00 H new ATOM 0 HB3 ALA B 42 148.954 2.082 7.500 1.00 0.00 H new ATOM 2048 N TYR B 43 146.310 2.973 6.612 1.00 0.00 N ATOM 2049 CA TYR B 43 145.034 2.439 6.042 1.00 0.00 C ATOM 2050 C TYR B 43 144.322 3.504 5.199 1.00 0.00 C ATOM 2051 O TYR B 43 143.508 3.182 4.355 1.00 0.00 O ATOM 2052 CB TYR B 43 144.112 1.920 7.155 1.00 0.00 C ATOM 2053 CG TYR B 43 143.720 3.026 8.107 1.00 0.00 C ATOM 2054 CD1 TYR B 43 142.716 3.933 7.750 1.00 0.00 C ATOM 2055 CD2 TYR B 43 144.335 3.123 9.361 1.00 0.00 C ATOM 2056 CE1 TYR B 43 142.330 4.937 8.644 1.00 0.00 C ATOM 2057 CE2 TYR B 43 143.951 4.129 10.254 1.00 0.00 C ATOM 2058 CZ TYR B 43 142.948 5.036 9.896 1.00 0.00 C ATOM 2059 OH TYR B 43 142.565 6.024 10.779 1.00 0.00 O ATOM 0 H TYR B 43 146.368 2.973 7.630 1.00 0.00 H new ATOM 0 HA TYR B 43 145.282 1.602 5.390 1.00 0.00 H new ATOM 0 HB2 TYR B 43 143.216 1.484 6.713 1.00 0.00 H new ATOM 0 HB3 TYR B 43 144.616 1.125 7.706 1.00 0.00 H new ATOM 0 HD1 TYR B 43 142.239 3.858 6.784 1.00 0.00 H new ATOM 0 HD2 TYR B 43 145.107 2.420 9.639 1.00 0.00 H new ATOM 0 HE1 TYR B 43 141.555 5.636 8.368 1.00 0.00 H new ATOM 0 HE2 TYR B 43 144.429 4.205 11.220 1.00 0.00 H new ATOM 0 HH TYR B 43 142.907 5.814 11.673 1.00 0.00 H new ATOM 2069 N VAL B 44 144.633 4.760 5.379 1.00 0.00 N ATOM 2070 CA VAL B 44 143.978 5.804 4.533 1.00 0.00 C ATOM 2071 C VAL B 44 144.684 5.803 3.171 1.00 0.00 C ATOM 2072 O VAL B 44 144.098 6.059 2.134 1.00 0.00 O ATOM 2073 CB VAL B 44 144.113 7.187 5.189 1.00 0.00 C ATOM 2074 CG1 VAL B 44 143.467 8.257 4.301 1.00 0.00 C ATOM 2075 CG2 VAL B 44 143.403 7.184 6.544 1.00 0.00 C ATOM 0 H VAL B 44 145.303 5.107 6.065 1.00 0.00 H new ATOM 0 HA VAL B 44 142.916 5.588 4.420 1.00 0.00 H new ATOM 0 HB VAL B 44 145.172 7.409 5.320 1.00 0.00 H new ATOM 0 HG11 VAL B 44 143.568 9.233 4.775 1.00 0.00 H new ATOM 0 HG12 VAL B 44 143.963 8.272 3.330 1.00 0.00 H new ATOM 0 HG13 VAL B 44 142.410 8.028 4.165 1.00 0.00 H new ATOM 0 HG21 VAL B 44 143.500 8.166 7.008 1.00 0.00 H new ATOM 0 HG22 VAL B 44 142.347 6.953 6.401 1.00 0.00 H new ATOM 0 HG23 VAL B 44 143.855 6.431 7.190 1.00 0.00 H new ATOM 2085 N VAL B 45 145.956 5.503 3.193 1.00 0.00 N ATOM 2086 CA VAL B 45 146.755 5.466 1.937 1.00 0.00 C ATOM 2087 C VAL B 45 146.399 4.197 1.169 1.00 0.00 C ATOM 2088 O VAL B 45 146.258 4.208 -0.037 1.00 0.00 O ATOM 2089 CB VAL B 45 148.245 5.455 2.274 1.00 0.00 C ATOM 2090 CG1 VAL B 45 149.061 5.321 0.986 1.00 0.00 C ATOM 2091 CG2 VAL B 45 148.615 6.757 2.985 1.00 0.00 C ATOM 0 H VAL B 45 146.480 5.280 4.039 1.00 0.00 H new ATOM 0 HA VAL B 45 146.533 6.345 1.332 1.00 0.00 H new ATOM 0 HB VAL B 45 148.464 4.611 2.928 1.00 0.00 H new ATOM 0 HG11 VAL B 45 150.124 5.313 1.228 1.00 0.00 H new ATOM 0 HG12 VAL B 45 148.797 4.391 0.483 1.00 0.00 H new ATOM 0 HG13 VAL B 45 148.845 6.163 0.329 1.00 0.00 H new ATOM 0 HG21 VAL B 45 149.678 6.751 3.226 1.00 0.00 H new ATOM 0 HG22 VAL B 45 148.396 7.603 2.333 1.00 0.00 H new ATOM 0 HG23 VAL B 45 148.035 6.847 3.904 1.00 0.00 H new ATOM 2101 N LEU B 46 146.219 3.106 1.859 1.00 0.00 N ATOM 2102 CA LEU B 46 145.837 1.852 1.162 1.00 0.00 C ATOM 2103 C LEU B 46 144.511 2.106 0.452 1.00 0.00 C ATOM 2104 O LEU B 46 144.281 1.652 -0.652 1.00 0.00 O ATOM 2105 CB LEU B 46 145.669 0.716 2.182 1.00 0.00 C ATOM 2106 CG LEU B 46 145.272 -0.588 1.461 1.00 0.00 C ATOM 2107 CD1 LEU B 46 146.398 -1.027 0.507 1.00 0.00 C ATOM 2108 CD2 LEU B 46 144.981 -1.700 2.491 1.00 0.00 C ATOM 0 H LEU B 46 146.320 3.030 2.871 1.00 0.00 H new ATOM 0 HA LEU B 46 146.608 1.562 0.448 1.00 0.00 H new ATOM 0 HB2 LEU B 46 146.599 0.569 2.731 1.00 0.00 H new ATOM 0 HB3 LEU B 46 144.906 0.983 2.913 1.00 0.00 H new ATOM 0 HG LEU B 46 144.368 -0.407 0.879 1.00 0.00 H new ATOM 0 HD11 LEU B 46 146.109 -1.949 0.002 1.00 0.00 H new ATOM 0 HD12 LEU B 46 146.572 -0.247 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU B 46 147.312 -1.197 1.076 1.00 0.00 H new ATOM 0 HD21 LEU B 46 144.702 -2.615 1.969 1.00 0.00 H new ATOM 0 HD22 LEU B 46 145.872 -1.882 3.091 1.00 0.00 H new ATOM 0 HD23 LEU B 46 144.163 -1.389 3.141 1.00 0.00 H new ATOM 2120 N GLY B 47 143.640 2.837 1.087 1.00 0.00 N ATOM 2121 CA GLY B 47 142.324 3.138 0.470 1.00 0.00 C ATOM 2122 C GLY B 47 142.543 3.758 -0.911 1.00 0.00 C ATOM 2123 O GLY B 47 141.882 3.409 -1.866 1.00 0.00 O ATOM 0 H GLY B 47 143.786 3.240 2.012 1.00 0.00 H new ATOM 0 HA2 GLY B 47 141.733 2.226 0.382 1.00 0.00 H new ATOM 0 HA3 GLY B 47 141.761 3.823 1.104 1.00 0.00 H new ATOM 2127 N GLN B 48 143.471 4.672 -1.030 1.00 0.00 N ATOM 2128 CA GLN B 48 143.729 5.298 -2.359 1.00 0.00 C ATOM 2129 C GLN B 48 144.144 4.215 -3.363 1.00 0.00 C ATOM 2130 O GLN B 48 143.700 4.199 -4.494 1.00 0.00 O ATOM 2131 CB GLN B 48 144.852 6.331 -2.223 1.00 0.00 C ATOM 2132 CG GLN B 48 144.955 7.151 -3.512 1.00 0.00 C ATOM 2133 CD GLN B 48 143.762 8.103 -3.611 1.00 0.00 C ATOM 2134 OE1 GLN B 48 143.330 8.705 -2.536 1.00 0.00 O flip ATOM 2135 NE2 GLN B 48 143.217 8.303 -4.679 1.00 0.00 N flip ATOM 0 H GLN B 48 144.058 5.010 -0.268 1.00 0.00 H new ATOM 0 HA GLN B 48 142.823 5.790 -2.714 1.00 0.00 H new ATOM 0 HB2 GLN B 48 144.654 6.989 -1.377 1.00 0.00 H new ATOM 0 HB3 GLN B 48 145.799 5.829 -2.023 1.00 0.00 H new ATOM 0 HG2 GLN B 48 145.887 7.717 -3.522 1.00 0.00 H new ATOM 0 HG3 GLN B 48 144.976 6.487 -4.376 1.00 0.00 H new ATOM 0 HE21 GLN B 48 143.554 7.833 -5.519 1.00 0.00 H new ATOM 0 HE22 GLN B 48 142.423 8.941 -4.735 1.00 0.00 H new ATOM 2144 N PHE B 49 144.989 3.304 -2.955 1.00 0.00 N ATOM 2145 CA PHE B 49 145.430 2.213 -3.875 1.00 0.00 C ATOM 2146 C PHE B 49 144.201 1.412 -4.317 1.00 0.00 C ATOM 2147 O PHE B 49 144.074 1.019 -5.460 1.00 0.00 O ATOM 2148 CB PHE B 49 146.419 1.310 -3.130 1.00 0.00 C ATOM 2149 CG PHE B 49 146.890 0.191 -4.029 1.00 0.00 C ATOM 2150 CD1 PHE B 49 147.973 0.395 -4.893 1.00 0.00 C ATOM 2151 CD2 PHE B 49 146.257 -1.056 -3.980 1.00 0.00 C ATOM 2152 CE1 PHE B 49 148.422 -0.649 -5.711 1.00 0.00 C ATOM 2153 CE2 PHE B 49 146.704 -2.099 -4.801 1.00 0.00 C ATOM 2154 CZ PHE B 49 147.787 -1.896 -5.665 1.00 0.00 C ATOM 0 H PHE B 49 145.395 3.269 -2.020 1.00 0.00 H new ATOM 0 HA PHE B 49 145.920 2.627 -4.757 1.00 0.00 H new ATOM 0 HB2 PHE B 49 147.273 1.897 -2.791 1.00 0.00 H new ATOM 0 HB3 PHE B 49 145.944 0.895 -2.241 1.00 0.00 H new ATOM 0 HD1 PHE B 49 148.462 1.357 -4.928 1.00 0.00 H new ATOM 0 HD2 PHE B 49 145.425 -1.214 -3.310 1.00 0.00 H new ATOM 0 HE1 PHE B 49 149.258 -0.492 -6.377 1.00 0.00 H new ATOM 0 HE2 PHE B 49 146.213 -3.060 -4.768 1.00 0.00 H new ATOM 0 HZ PHE B 49 148.133 -2.701 -6.296 1.00 0.00 H new ATOM 2164 N LEU B 50 143.300 1.178 -3.416 1.00 0.00 N ATOM 2165 CA LEU B 50 142.076 0.405 -3.781 1.00 0.00 C ATOM 2166 C LEU B 50 141.230 1.250 -4.744 1.00 0.00 C ATOM 2167 O LEU B 50 140.626 0.739 -5.665 1.00 0.00 O ATOM 2168 CB LEU B 50 141.263 0.082 -2.520 1.00 0.00 C ATOM 2169 CG LEU B 50 142.071 -0.834 -1.581 1.00 0.00 C ATOM 2170 CD1 LEU B 50 141.325 -0.977 -0.250 1.00 0.00 C ATOM 2171 CD2 LEU B 50 142.253 -2.227 -2.213 1.00 0.00 C ATOM 0 H LEU B 50 143.351 1.484 -2.444 1.00 0.00 H new ATOM 0 HA LEU B 50 142.361 -0.532 -4.260 1.00 0.00 H new ATOM 0 HB2 LEU B 50 141.001 1.005 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU B 50 140.328 -0.404 -2.797 1.00 0.00 H new ATOM 0 HG LEU B 50 143.053 -0.391 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU B 50 141.893 -1.625 0.418 1.00 0.00 H new ATOM 0 HD12 LEU B 50 141.208 0.005 0.209 1.00 0.00 H new ATOM 0 HD13 LEU B 50 140.342 -1.413 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU B 50 142.826 -2.861 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU B 50 141.276 -2.676 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU B 50 142.786 -2.131 -3.159 1.00 0.00 H new ATOM 2183 N VAL B 51 141.174 2.537 -4.529 1.00 0.00 N ATOM 2184 CA VAL B 51 140.358 3.420 -5.421 1.00 0.00 C ATOM 2185 C VAL B 51 140.960 3.481 -6.834 1.00 0.00 C ATOM 2186 O VAL B 51 140.268 3.747 -7.797 1.00 0.00 O ATOM 2187 CB VAL B 51 140.301 4.838 -4.841 1.00 0.00 C ATOM 2188 CG1 VAL B 51 139.602 5.772 -5.837 1.00 0.00 C ATOM 2189 CG2 VAL B 51 139.515 4.823 -3.529 1.00 0.00 C ATOM 0 H VAL B 51 141.659 3.019 -3.772 1.00 0.00 H new ATOM 0 HA VAL B 51 139.353 3.001 -5.482 1.00 0.00 H new ATOM 0 HB VAL B 51 141.315 5.192 -4.656 1.00 0.00 H new ATOM 0 HG11 VAL B 51 139.562 6.780 -5.424 1.00 0.00 H new ATOM 0 HG12 VAL B 51 140.158 5.786 -6.774 1.00 0.00 H new ATOM 0 HG13 VAL B 51 138.589 5.415 -6.021 1.00 0.00 H new ATOM 0 HG21 VAL B 51 139.475 5.831 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL B 51 138.502 4.467 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL B 51 140.007 4.160 -2.818 1.00 0.00 H new ATOM 2199 N LEU B 52 142.241 3.278 -6.964 1.00 0.00 N ATOM 2200 CA LEU B 52 142.882 3.374 -8.314 1.00 0.00 C ATOM 2201 C LEU B 52 142.810 2.038 -9.054 1.00 0.00 C ATOM 2202 O LEU B 52 143.456 1.860 -10.068 1.00 0.00 O ATOM 2203 CB LEU B 52 144.346 3.767 -8.149 1.00 0.00 C ATOM 2204 CG LEU B 52 144.449 5.184 -7.571 1.00 0.00 C ATOM 2205 CD1 LEU B 52 145.913 5.472 -7.241 1.00 0.00 C ATOM 2206 CD2 LEU B 52 143.930 6.222 -8.589 1.00 0.00 C ATOM 0 H LEU B 52 142.875 3.050 -6.198 1.00 0.00 H new ATOM 0 HA LEU B 52 142.346 4.125 -8.895 1.00 0.00 H new ATOM 0 HB2 LEU B 52 144.849 3.059 -7.490 1.00 0.00 H new ATOM 0 HB3 LEU B 52 144.854 3.721 -9.112 1.00 0.00 H new ATOM 0 HG LEU B 52 143.840 5.253 -6.670 1.00 0.00 H new ATOM 0 HD11 LEU B 52 146.002 6.477 -6.829 1.00 0.00 H new ATOM 0 HD12 LEU B 52 146.271 4.747 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU B 52 146.512 5.398 -8.149 1.00 0.00 H new ATOM 0 HD21 LEU B 52 144.010 7.222 -8.162 1.00 0.00 H new ATOM 0 HD22 LEU B 52 144.526 6.167 -9.500 1.00 0.00 H new ATOM 0 HD23 LEU B 52 142.887 6.011 -8.824 1.00 0.00 H new ATOM 2218 N LYS B 53 142.034 1.105 -8.592 1.00 0.00 N ATOM 2219 CA LYS B 53 141.939 -0.196 -9.313 1.00 0.00 C ATOM 2220 C LYS B 53 143.342 -0.716 -9.644 1.00 0.00 C ATOM 2221 O LYS B 53 143.567 -1.270 -10.700 1.00 0.00 O ATOM 2222 CB LYS B 53 141.157 0.002 -10.613 1.00 0.00 C ATOM 2223 CG LYS B 53 139.709 0.380 -10.284 1.00 0.00 C ATOM 2224 CD LYS B 53 138.888 0.512 -11.576 1.00 0.00 C ATOM 2225 CE LYS B 53 139.144 1.871 -12.234 1.00 0.00 C ATOM 2226 NZ LYS B 53 138.243 2.023 -13.413 1.00 0.00 N ATOM 0 H LYS B 53 141.462 1.182 -7.751 1.00 0.00 H new ATOM 0 HA LYS B 53 141.428 -0.920 -8.678 1.00 0.00 H new ATOM 0 HB2 LYS B 53 141.621 0.784 -11.214 1.00 0.00 H new ATOM 0 HB3 LYS B 53 141.180 -0.912 -11.207 1.00 0.00 H new ATOM 0 HG2 LYS B 53 139.265 -0.378 -9.639 1.00 0.00 H new ATOM 0 HG3 LYS B 53 139.687 1.320 -9.733 1.00 0.00 H new ATOM 0 HD2 LYS B 53 139.153 -0.289 -12.266 1.00 0.00 H new ATOM 0 HD3 LYS B 53 137.827 0.403 -11.353 1.00 0.00 H new ATOM 0 HE2 LYS B 53 138.965 2.674 -11.519 1.00 0.00 H new ATOM 0 HE3 LYS B 53 140.186 1.947 -12.545 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 138.413 2.945 -13.863 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 138.435 1.263 -14.097 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 137.252 1.967 -13.102 1.00 0.00 H new ATOM 2240 N LYS B 54 144.279 -0.546 -8.742 1.00 0.00 N ATOM 2241 CA LYS B 54 145.676 -1.033 -8.963 1.00 0.00 C ATOM 2242 C LYS B 54 146.290 -0.371 -10.206 1.00 0.00 C ATOM 2243 O LYS B 54 147.259 -0.860 -10.751 1.00 0.00 O ATOM 2244 CB LYS B 54 145.661 -2.556 -9.144 1.00 0.00 C ATOM 2245 CG LYS B 54 145.057 -3.198 -7.896 1.00 0.00 C ATOM 2246 CD LYS B 54 145.033 -4.717 -8.057 1.00 0.00 C ATOM 2247 CE LYS B 54 144.425 -5.348 -6.803 1.00 0.00 C ATOM 2248 NZ LYS B 54 144.140 -6.787 -7.062 1.00 0.00 N ATOM 0 H LYS B 54 144.131 -0.082 -7.846 1.00 0.00 H new ATOM 0 HA LYS B 54 146.281 -0.770 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS B 54 145.079 -2.825 -10.025 1.00 0.00 H new ATOM 0 HB3 LYS B 54 146.673 -2.926 -9.306 1.00 0.00 H new ATOM 0 HG2 LYS B 54 145.640 -2.925 -7.017 1.00 0.00 H new ATOM 0 HG3 LYS B 54 144.046 -2.824 -7.736 1.00 0.00 H new ATOM 0 HD2 LYS B 54 144.450 -4.992 -8.936 1.00 0.00 H new ATOM 0 HD3 LYS B 54 146.044 -5.094 -8.214 1.00 0.00 H new ATOM 0 HE2 LYS B 54 145.112 -5.247 -5.962 1.00 0.00 H new ATOM 0 HE3 LYS B 54 143.507 -4.828 -6.529 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 143.727 -7.218 -6.210 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 143.470 -6.871 -7.853 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 145.024 -7.278 -7.304 1.00 0.00 H new ATOM 2262 N ASP B 55 145.767 0.740 -10.650 1.00 0.00 N ATOM 2263 CA ASP B 55 146.377 1.409 -11.841 1.00 0.00 C ATOM 2264 C ASP B 55 147.774 1.914 -11.446 1.00 0.00 C ATOM 2265 O ASP B 55 147.914 2.854 -10.689 1.00 0.00 O ATOM 2266 CB ASP B 55 145.498 2.586 -12.272 1.00 0.00 C ATOM 2267 CG ASP B 55 144.254 2.057 -12.990 1.00 0.00 C ATOM 2268 OD1 ASP B 55 144.375 1.068 -13.693 1.00 0.00 O ATOM 2269 OD2 ASP B 55 143.200 2.650 -12.821 1.00 0.00 O ATOM 0 H ASP B 55 144.956 1.210 -10.248 1.00 0.00 H new ATOM 0 HA ASP B 55 146.456 0.708 -12.672 1.00 0.00 H new ATOM 0 HB2 ASP B 55 145.206 3.174 -11.402 1.00 0.00 H new ATOM 0 HB3 ASP B 55 146.057 3.249 -12.932 1.00 0.00 H new ATOM 2274 N GLU B 56 148.806 1.266 -11.924 1.00 0.00 N ATOM 2275 CA GLU B 56 150.202 1.667 -11.554 1.00 0.00 C ATOM 2276 C GLU B 56 150.572 3.068 -12.066 1.00 0.00 C ATOM 2277 O GLU B 56 151.211 3.831 -11.376 1.00 0.00 O ATOM 2278 CB GLU B 56 151.181 0.643 -12.139 1.00 0.00 C ATOM 2279 CG GLU B 56 152.615 0.996 -11.730 1.00 0.00 C ATOM 2280 CD GLU B 56 153.572 -0.081 -12.241 1.00 0.00 C ATOM 2281 OE1 GLU B 56 153.092 -1.080 -12.749 1.00 0.00 O ATOM 2282 OE2 GLU B 56 154.771 0.111 -12.113 1.00 0.00 O ATOM 0 H GLU B 56 148.743 0.470 -12.559 1.00 0.00 H new ATOM 0 HA GLU B 56 150.261 1.694 -10.466 1.00 0.00 H new ATOM 0 HB2 GLU B 56 150.929 -0.357 -11.785 1.00 0.00 H new ATOM 0 HB3 GLU B 56 151.097 0.627 -13.226 1.00 0.00 H new ATOM 0 HG2 GLU B 56 152.892 1.967 -12.139 1.00 0.00 H new ATOM 0 HG3 GLU B 56 152.686 1.075 -10.645 1.00 0.00 H new ATOM 2289 N ASP B 57 150.191 3.420 -13.259 1.00 0.00 N ATOM 2290 CA ASP B 57 150.556 4.775 -13.781 1.00 0.00 C ATOM 2291 C ASP B 57 149.806 5.845 -12.994 1.00 0.00 C ATOM 2292 O ASP B 57 150.344 6.887 -12.673 1.00 0.00 O ATOM 2293 CB ASP B 57 150.188 4.871 -15.263 1.00 0.00 C ATOM 2294 CG ASP B 57 151.126 3.981 -16.081 1.00 0.00 C ATOM 2295 OD1 ASP B 57 152.274 3.849 -15.690 1.00 0.00 O ATOM 2296 OD2 ASP B 57 150.679 3.443 -17.080 1.00 0.00 O ATOM 0 H ASP B 57 149.647 2.838 -13.896 1.00 0.00 H new ATOM 0 HA ASP B 57 151.629 4.930 -13.667 1.00 0.00 H new ATOM 0 HB2 ASP B 57 149.154 4.561 -15.412 1.00 0.00 H new ATOM 0 HB3 ASP B 57 150.263 5.904 -15.601 1.00 0.00 H new ATOM 2301 N LEU B 58 148.583 5.591 -12.672 1.00 0.00 N ATOM 2302 CA LEU B 58 147.815 6.596 -11.892 1.00 0.00 C ATOM 2303 C LEU B 58 148.378 6.660 -10.471 1.00 0.00 C ATOM 2304 O LEU B 58 148.521 7.722 -9.899 1.00 0.00 O ATOM 2305 CB LEU B 58 146.332 6.212 -11.844 1.00 0.00 C ATOM 2306 CG LEU B 58 145.737 6.180 -13.260 1.00 0.00 C ATOM 2307 CD1 LEU B 58 144.258 5.790 -13.168 1.00 0.00 C ATOM 2308 CD2 LEU B 58 145.866 7.565 -13.926 1.00 0.00 C ATOM 0 H LEU B 58 148.077 4.738 -12.910 1.00 0.00 H new ATOM 0 HA LEU B 58 147.906 7.571 -12.371 1.00 0.00 H new ATOM 0 HB2 LEU B 58 146.218 5.235 -11.374 1.00 0.00 H new ATOM 0 HB3 LEU B 58 145.785 6.927 -11.230 1.00 0.00 H new ATOM 0 HG LEU B 58 146.279 5.451 -13.863 1.00 0.00 H new ATOM 0 HD11 LEU B 58 143.826 5.764 -14.168 1.00 0.00 H new ATOM 0 HD12 LEU B 58 144.169 4.805 -12.709 1.00 0.00 H new ATOM 0 HD13 LEU B 58 143.726 6.523 -12.561 1.00 0.00 H new ATOM 0 HD21 LEU B 58 145.440 7.528 -14.929 1.00 0.00 H new ATOM 0 HD22 LEU B 58 145.331 8.306 -13.332 1.00 0.00 H new ATOM 0 HD23 LEU B 58 146.918 7.842 -13.989 1.00 0.00 H new ATOM 2320 N PHE B 59 148.723 5.537 -9.903 1.00 0.00 N ATOM 2321 CA PHE B 59 149.306 5.545 -8.529 1.00 0.00 C ATOM 2322 C PHE B 59 150.652 6.274 -8.543 1.00 0.00 C ATOM 2323 O PHE B 59 150.920 7.123 -7.716 1.00 0.00 O ATOM 2324 CB PHE B 59 149.497 4.110 -8.037 1.00 0.00 C ATOM 2325 CG PHE B 59 150.178 4.129 -6.686 1.00 0.00 C ATOM 2326 CD1 PHE B 59 149.434 4.396 -5.530 1.00 0.00 C ATOM 2327 CD2 PHE B 59 151.552 3.875 -6.590 1.00 0.00 C ATOM 2328 CE1 PHE B 59 150.063 4.413 -4.278 1.00 0.00 C ATOM 2329 CE2 PHE B 59 152.182 3.891 -5.338 1.00 0.00 C ATOM 2330 CZ PHE B 59 151.437 4.160 -4.183 1.00 0.00 C ATOM 0 H PHE B 59 148.627 4.615 -10.329 1.00 0.00 H new ATOM 0 HA PHE B 59 148.625 6.064 -7.854 1.00 0.00 H new ATOM 0 HB2 PHE B 59 148.533 3.608 -7.963 1.00 0.00 H new ATOM 0 HB3 PHE B 59 150.097 3.546 -8.751 1.00 0.00 H new ATOM 0 HD1 PHE B 59 148.374 4.589 -5.604 1.00 0.00 H new ATOM 0 HD2 PHE B 59 152.126 3.667 -7.481 1.00 0.00 H new ATOM 0 HE1 PHE B 59 149.489 4.621 -3.387 1.00 0.00 H new ATOM 0 HE2 PHE B 59 153.242 3.696 -5.264 1.00 0.00 H new ATOM 0 HZ PHE B 59 151.923 4.172 -3.218 1.00 0.00 H new ATOM 2340 N ARG B 60 151.510 5.930 -9.467 1.00 0.00 N ATOM 2341 CA ARG B 60 152.849 6.581 -9.524 1.00 0.00 C ATOM 2342 C ARG B 60 152.701 8.087 -9.725 1.00 0.00 C ATOM 2343 O ARG B 60 153.325 8.877 -9.045 1.00 0.00 O ATOM 2344 CB ARG B 60 153.642 6.011 -10.702 1.00 0.00 C ATOM 2345 CG ARG B 60 154.044 4.560 -10.425 1.00 0.00 C ATOM 2346 CD ARG B 60 154.750 3.995 -11.658 1.00 0.00 C ATOM 2347 NE ARG B 60 155.990 4.783 -11.911 1.00 0.00 N ATOM 2348 CZ ARG B 60 156.884 4.350 -12.756 1.00 0.00 C ATOM 2349 NH1 ARG B 60 156.680 3.242 -13.415 1.00 0.00 N ATOM 2350 NH2 ARG B 60 157.981 5.030 -12.947 1.00 0.00 N ATOM 0 H ARG B 60 151.340 5.226 -10.185 1.00 0.00 H new ATOM 0 HA ARG B 60 153.368 6.388 -8.585 1.00 0.00 H new ATOM 0 HB2 ARG B 60 153.042 6.061 -11.610 1.00 0.00 H new ATOM 0 HB3 ARG B 60 154.533 6.615 -10.875 1.00 0.00 H new ATOM 0 HG2 ARG B 60 154.703 4.511 -9.558 1.00 0.00 H new ATOM 0 HG3 ARG B 60 153.163 3.964 -10.189 1.00 0.00 H new ATOM 0 HD2 ARG B 60 154.997 2.945 -11.502 1.00 0.00 H new ATOM 0 HD3 ARG B 60 154.090 4.043 -12.524 1.00 0.00 H new ATOM 0 HE ARG B 60 156.140 5.665 -11.421 1.00 0.00 H new ATOM 0 HH11 ARG B 60 155.820 2.713 -13.270 1.00 0.00 H new ATOM 0 HH12 ARG B 60 157.380 2.905 -14.075 1.00 0.00 H new ATOM 0 HH21 ARG B 60 158.138 5.899 -12.436 1.00 0.00 H new ATOM 0 HH22 ARG B 60 158.681 4.693 -13.607 1.00 0.00 H new ATOM 2364 N GLU B 61 151.884 8.495 -10.656 1.00 0.00 N ATOM 2365 CA GLU B 61 151.701 9.948 -10.905 1.00 0.00 C ATOM 2366 C GLU B 61 151.085 10.603 -9.666 1.00 0.00 C ATOM 2367 O GLU B 61 151.411 11.719 -9.314 1.00 0.00 O ATOM 2368 CB GLU B 61 150.770 10.127 -12.108 1.00 0.00 C ATOM 2369 CG GLU B 61 150.566 11.614 -12.401 1.00 0.00 C ATOM 2370 CD GLU B 61 149.677 11.767 -13.636 1.00 0.00 C ATOM 2371 OE1 GLU B 61 149.359 10.757 -14.241 1.00 0.00 O ATOM 2372 OE2 GLU B 61 149.332 12.892 -13.958 1.00 0.00 O ATOM 0 H GLU B 61 151.334 7.880 -11.256 1.00 0.00 H new ATOM 0 HA GLU B 61 152.662 10.418 -11.113 1.00 0.00 H new ATOM 0 HB2 GLU B 61 151.193 9.631 -12.982 1.00 0.00 H new ATOM 0 HB3 GLU B 61 149.809 9.653 -11.907 1.00 0.00 H new ATOM 0 HG2 GLU B 61 150.106 12.106 -11.544 1.00 0.00 H new ATOM 0 HG3 GLU B 61 151.528 12.099 -12.568 1.00 0.00 H new ATOM 2379 N TRP B 62 150.190 9.921 -9.012 1.00 0.00 N ATOM 2380 CA TRP B 62 149.544 10.507 -7.801 1.00 0.00 C ATOM 2381 C TRP B 62 150.566 10.746 -6.681 1.00 0.00 C ATOM 2382 O TRP B 62 150.589 11.791 -6.066 1.00 0.00 O ATOM 2383 CB TRP B 62 148.456 9.552 -7.285 1.00 0.00 C ATOM 2384 CG TRP B 62 147.978 10.018 -5.940 1.00 0.00 C ATOM 2385 CD1 TRP B 62 147.045 10.975 -5.730 1.00 0.00 C ATOM 2386 CD2 TRP B 62 148.423 9.582 -4.621 1.00 0.00 C ATOM 2387 NE1 TRP B 62 146.884 11.150 -4.365 1.00 0.00 N ATOM 2388 CE2 TRP B 62 147.712 10.313 -3.639 1.00 0.00 C ATOM 2389 CE3 TRP B 62 149.363 8.629 -4.186 1.00 0.00 C ATOM 2390 CZ2 TRP B 62 147.929 10.106 -2.274 1.00 0.00 C ATOM 2391 CZ3 TRP B 62 149.581 8.420 -2.815 1.00 0.00 C ATOM 2392 CH2 TRP B 62 148.866 9.156 -1.862 1.00 0.00 C ATOM 0 H TRP B 62 149.876 8.983 -9.261 1.00 0.00 H new ATOM 0 HA TRP B 62 149.108 11.465 -8.084 1.00 0.00 H new ATOM 0 HB2 TRP B 62 147.623 9.519 -7.987 1.00 0.00 H new ATOM 0 HB3 TRP B 62 148.851 8.539 -7.211 1.00 0.00 H new ATOM 0 HD1 TRP B 62 146.513 11.514 -6.500 1.00 0.00 H new ATOM 0 HE1 TRP B 62 146.234 11.815 -3.946 1.00 0.00 H new ATOM 0 HE3 TRP B 62 149.920 8.055 -4.912 1.00 0.00 H new ATOM 0 HZ2 TRP B 62 147.376 10.677 -1.543 1.00 0.00 H new ATOM 0 HZ3 TRP B 62 150.305 7.686 -2.493 1.00 0.00 H new ATOM 0 HH2 TRP B 62 149.039 8.989 -0.809 1.00 0.00 H new ATOM 2403 N LEU B 63 151.390 9.781 -6.394 1.00 0.00 N ATOM 2404 CA LEU B 63 152.380 9.952 -5.292 1.00 0.00 C ATOM 2405 C LEU B 63 153.447 10.981 -5.677 1.00 0.00 C ATOM 2406 O LEU B 63 153.788 11.849 -4.900 1.00 0.00 O ATOM 2407 CB LEU B 63 153.038 8.594 -5.005 1.00 0.00 C ATOM 2408 CG LEU B 63 154.073 8.710 -3.873 1.00 0.00 C ATOM 2409 CD1 LEU B 63 153.383 9.081 -2.552 1.00 0.00 C ATOM 2410 CD2 LEU B 63 154.791 7.366 -3.716 1.00 0.00 C ATOM 0 H LEU B 63 151.423 8.881 -6.873 1.00 0.00 H new ATOM 0 HA LEU B 63 151.868 10.315 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU B 63 152.274 7.867 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU B 63 153.522 8.222 -5.908 1.00 0.00 H new ATOM 0 HG LEU B 63 154.791 9.491 -4.122 1.00 0.00 H new ATOM 0 HD11 LEU B 63 154.129 9.159 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU B 63 152.872 10.037 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU B 63 152.658 8.310 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU B 63 155.527 7.438 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU B 63 154.064 6.591 -3.472 1.00 0.00 H new ATOM 0 HD23 LEU B 63 155.293 7.111 -4.649 1.00 0.00 H new ATOM 2422 N LYS B 64 153.988 10.887 -6.856 1.00 0.00 N ATOM 2423 CA LYS B 64 155.043 11.855 -7.268 1.00 0.00 C ATOM 2424 C LYS B 64 154.483 13.278 -7.274 1.00 0.00 C ATOM 2425 O LYS B 64 155.080 14.195 -6.743 1.00 0.00 O ATOM 2426 CB LYS B 64 155.570 11.500 -8.658 1.00 0.00 C ATOM 2427 CG LYS B 64 156.737 12.429 -8.997 1.00 0.00 C ATOM 2428 CD LYS B 64 157.370 12.000 -10.320 1.00 0.00 C ATOM 2429 CE LYS B 64 158.527 12.943 -10.654 1.00 0.00 C ATOM 2430 NZ LYS B 64 158.002 14.329 -10.811 1.00 0.00 N ATOM 0 H LYS B 64 153.747 10.183 -7.554 1.00 0.00 H new ATOM 0 HA LYS B 64 155.863 11.800 -6.552 1.00 0.00 H new ATOM 0 HB2 LYS B 64 155.896 10.460 -8.683 1.00 0.00 H new ATOM 0 HB3 LYS B 64 154.778 11.604 -9.399 1.00 0.00 H new ATOM 0 HG2 LYS B 64 156.386 13.459 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS B 64 157.481 12.400 -8.201 1.00 0.00 H new ATOM 0 HD2 LYS B 64 157.731 10.974 -10.248 1.00 0.00 H new ATOM 0 HD3 LYS B 64 156.626 12.022 -11.116 1.00 0.00 H new ATOM 0 HE2 LYS B 64 159.276 12.913 -9.863 1.00 0.00 H new ATOM 0 HE3 LYS B 64 159.020 12.622 -11.572 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 158.658 14.884 -11.397 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 157.070 14.297 -11.271 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 157.912 14.774 -9.875 1.00 0.00 H new ATOM 2444 N ASP B 65 153.340 13.470 -7.871 1.00 0.00 N ATOM 2445 CA ASP B 65 152.739 14.833 -7.916 1.00 0.00 C ATOM 2446 C ASP B 65 152.269 15.237 -6.518 1.00 0.00 C ATOM 2447 O ASP B 65 152.176 16.406 -6.200 1.00 0.00 O ATOM 2448 CB ASP B 65 151.548 14.837 -8.877 1.00 0.00 C ATOM 2449 CG ASP B 65 152.055 14.768 -10.318 1.00 0.00 C ATOM 2450 OD1 ASP B 65 153.045 15.421 -10.608 1.00 0.00 O ATOM 2451 OD2 ASP B 65 151.446 14.064 -11.107 1.00 0.00 O ATOM 0 H ASP B 65 152.795 12.741 -8.331 1.00 0.00 H new ATOM 0 HA ASP B 65 153.488 15.544 -8.263 1.00 0.00 H new ATOM 0 HB2 ASP B 65 150.896 13.989 -8.669 1.00 0.00 H new ATOM 0 HB3 ASP B 65 150.953 15.739 -8.732 1.00 0.00 H new ATOM 2456 N THR B 66 151.944 14.282 -5.690 1.00 0.00 N ATOM 2457 CA THR B 66 151.448 14.614 -4.325 1.00 0.00 C ATOM 2458 C THR B 66 152.606 14.943 -3.378 1.00 0.00 C ATOM 2459 O THR B 66 152.443 15.745 -2.481 1.00 0.00 O ATOM 2460 CB THR B 66 150.650 13.430 -3.770 1.00 0.00 C ATOM 2461 OG1 THR B 66 149.490 13.232 -4.567 1.00 0.00 O ATOM 2462 CG2 THR B 66 150.232 13.721 -2.329 1.00 0.00 C ATOM 0 H THR B 66 152.001 13.286 -5.900 1.00 0.00 H new ATOM 0 HA THR B 66 150.808 15.494 -4.397 1.00 0.00 H new ATOM 0 HB THR B 66 151.269 12.533 -3.792 1.00 0.00 H new ATOM 0 HG1 THR B 66 149.743 12.806 -5.413 1.00 0.00 H new ATOM 0 HG21 THR B 66 149.665 12.877 -1.937 1.00 0.00 H new ATOM 0 HG22 THR B 66 151.120 13.877 -1.717 1.00 0.00 H new ATOM 0 HG23 THR B 66 149.613 14.618 -2.304 1.00 0.00 H new ATOM 2470 N CYS B 67 153.762 14.327 -3.524 1.00 0.00 N ATOM 2471 CA CYS B 67 154.893 14.616 -2.576 1.00 0.00 C ATOM 2472 C CYS B 67 156.207 14.877 -3.318 1.00 0.00 C ATOM 2473 O CYS B 67 157.077 15.563 -2.821 1.00 0.00 O ATOM 2474 CB CYS B 67 155.087 13.417 -1.646 1.00 0.00 C ATOM 2475 SG CYS B 67 155.247 11.908 -2.631 1.00 0.00 S ATOM 0 H CYS B 67 153.969 13.643 -4.252 1.00 0.00 H new ATOM 0 HA CYS B 67 154.634 15.512 -2.012 1.00 0.00 H new ATOM 0 HB2 CYS B 67 155.977 13.559 -1.033 1.00 0.00 H new ATOM 0 HB3 CYS B 67 154.240 13.331 -0.965 1.00 0.00 H new ATOM 0 HG CYS B 67 154.323 11.886 -3.545 1.00 0.00 H new ATOM 2481 N GLY B 68 156.373 14.320 -4.494 1.00 0.00 N ATOM 2482 CA GLY B 68 157.647 14.521 -5.257 1.00 0.00 C ATOM 2483 C GLY B 68 158.497 13.253 -5.146 1.00 0.00 C ATOM 2484 O GLY B 68 159.669 13.251 -5.470 1.00 0.00 O ATOM 0 H GLY B 68 155.680 13.734 -4.960 1.00 0.00 H new ATOM 0 HA2 GLY B 68 157.430 14.739 -6.303 1.00 0.00 H new ATOM 0 HA3 GLY B 68 158.193 15.377 -4.860 1.00 0.00 H new ATOM 2488 N ALA B 69 157.918 12.169 -4.697 1.00 0.00 N ATOM 2489 CA ALA B 69 158.698 10.903 -4.577 1.00 0.00 C ATOM 2490 C ALA B 69 159.408 10.628 -5.902 1.00 0.00 C ATOM 2491 O ALA B 69 158.977 11.070 -6.949 1.00 0.00 O ATOM 2492 CB ALA B 69 157.749 9.744 -4.253 1.00 0.00 C ATOM 0 H ALA B 69 156.941 12.107 -4.409 1.00 0.00 H new ATOM 0 HA ALA B 69 159.433 10.998 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA B 69 158.320 8.820 -4.166 1.00 0.00 H new ATOM 0 HB2 ALA B 69 157.237 9.945 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA B 69 157.014 9.642 -5.051 1.00 0.00 H new ATOM 2498 N ASN B 70 160.505 9.917 -5.872 1.00 0.00 N ATOM 2499 CA ASN B 70 161.251 9.639 -7.136 1.00 0.00 C ATOM 2500 C ASN B 70 160.739 8.341 -7.768 1.00 0.00 C ATOM 2501 O ASN B 70 159.951 7.620 -7.188 1.00 0.00 O ATOM 2502 CB ASN B 70 162.740 9.489 -6.821 1.00 0.00 C ATOM 2503 CG ASN B 70 163.260 10.776 -6.178 1.00 0.00 C ATOM 2504 OD1 ASN B 70 163.012 11.859 -6.669 1.00 0.00 O ATOM 2505 ND2 ASN B 70 163.980 10.701 -5.091 1.00 0.00 N ATOM 0 H ASN B 70 160.916 9.517 -5.029 1.00 0.00 H new ATOM 0 HA ASN B 70 161.099 10.465 -7.831 1.00 0.00 H new ATOM 0 HB2 ASN B 70 162.897 8.645 -6.149 1.00 0.00 H new ATOM 0 HB3 ASN B 70 163.296 9.276 -7.734 1.00 0.00 H new ATOM 0 HD21 ASN B 70 164.334 11.552 -4.654 1.00 0.00 H new ATOM 0 HD22 ASN B 70 164.188 9.791 -4.679 1.00 0.00 H new ATOM 2512 N ALA B 71 161.178 8.052 -8.961 1.00 0.00 N ATOM 2513 CA ALA B 71 160.722 6.815 -9.658 1.00 0.00 C ATOM 2514 C ALA B 71 161.130 5.566 -8.868 1.00 0.00 C ATOM 2515 O ALA B 71 160.430 4.574 -8.868 1.00 0.00 O ATOM 2516 CB ALA B 71 161.354 6.757 -11.050 1.00 0.00 C ATOM 0 H ALA B 71 161.838 8.624 -9.488 1.00 0.00 H new ATOM 0 HA ALA B 71 159.635 6.840 -9.738 1.00 0.00 H new ATOM 0 HB1 ALA B 71 161.023 5.854 -11.563 1.00 0.00 H new ATOM 0 HB2 ALA B 71 161.050 7.632 -11.624 1.00 0.00 H new ATOM 0 HB3 ALA B 71 162.440 6.744 -10.956 1.00 0.00 H new ATOM 2522 N LYS B 72 162.256 5.592 -8.209 1.00 0.00 N ATOM 2523 CA LYS B 72 162.683 4.383 -7.444 1.00 0.00 C ATOM 2524 C LYS B 72 161.798 4.218 -6.209 1.00 0.00 C ATOM 2525 O LYS B 72 161.416 3.123 -5.840 1.00 0.00 O ATOM 2526 CB LYS B 72 164.141 4.543 -7.013 1.00 0.00 C ATOM 2527 CG LYS B 72 165.041 4.465 -8.246 1.00 0.00 C ATOM 2528 CD LYS B 72 166.503 4.622 -7.828 1.00 0.00 C ATOM 2529 CE LYS B 72 167.398 4.542 -9.065 1.00 0.00 C ATOM 2530 NZ LYS B 72 168.788 4.934 -8.700 1.00 0.00 N ATOM 0 H LYS B 72 162.893 6.387 -8.166 1.00 0.00 H new ATOM 0 HA LYS B 72 162.586 3.500 -8.076 1.00 0.00 H new ATOM 0 HB2 LYS B 72 164.280 5.498 -6.506 1.00 0.00 H new ATOM 0 HB3 LYS B 72 164.410 3.762 -6.302 1.00 0.00 H new ATOM 0 HG2 LYS B 72 164.898 3.510 -8.753 1.00 0.00 H new ATOM 0 HG3 LYS B 72 164.770 5.246 -8.956 1.00 0.00 H new ATOM 0 HD2 LYS B 72 166.647 5.577 -7.323 1.00 0.00 H new ATOM 0 HD3 LYS B 72 166.775 3.841 -7.118 1.00 0.00 H new ATOM 0 HE2 LYS B 72 167.389 3.530 -9.469 1.00 0.00 H new ATOM 0 HE3 LYS B 72 167.017 5.200 -9.846 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 169.396 4.879 -9.542 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 168.789 5.908 -8.334 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 169.150 4.289 -7.969 1.00 0.00 H new ATOM 2544 N GLN B 73 161.479 5.304 -5.561 1.00 0.00 N ATOM 2545 CA GLN B 73 160.633 5.235 -4.339 1.00 0.00 C ATOM 2546 C GLN B 73 159.239 4.743 -4.704 1.00 0.00 C ATOM 2547 O GLN B 73 158.628 3.976 -3.986 1.00 0.00 O ATOM 2548 CB GLN B 73 160.532 6.630 -3.718 1.00 0.00 C ATOM 2549 CG GLN B 73 161.884 7.027 -3.123 1.00 0.00 C ATOM 2550 CD GLN B 73 161.795 8.444 -2.553 1.00 0.00 C ATOM 2551 OE1 GLN B 73 161.170 9.308 -3.137 1.00 0.00 O ATOM 2552 NE2 GLN B 73 162.402 8.724 -1.432 1.00 0.00 N ATOM 0 H GLN B 73 161.771 6.244 -5.829 1.00 0.00 H new ATOM 0 HA GLN B 73 161.082 4.544 -3.626 1.00 0.00 H new ATOM 0 HB2 GLN B 73 160.229 7.354 -4.474 1.00 0.00 H new ATOM 0 HB3 GLN B 73 159.766 6.639 -2.943 1.00 0.00 H new ATOM 0 HG2 GLN B 73 162.168 6.325 -2.339 1.00 0.00 H new ATOM 0 HG3 GLN B 73 162.658 6.980 -3.889 1.00 0.00 H new ATOM 0 HE21 GLN B 73 162.927 8.000 -0.941 1.00 0.00 H new ATOM 0 HE22 GLN B 73 162.352 9.667 -1.047 1.00 0.00 H new ATOM 2561 N SER B 74 158.728 5.193 -5.812 1.00 0.00 N ATOM 2562 CA SER B 74 157.371 4.776 -6.236 1.00 0.00 C ATOM 2563 C SER B 74 157.331 3.265 -6.493 1.00 0.00 C ATOM 2564 O SER B 74 156.367 2.603 -6.164 1.00 0.00 O ATOM 2565 CB SER B 74 156.995 5.528 -7.509 1.00 0.00 C ATOM 2566 OG SER B 74 157.012 6.927 -7.248 1.00 0.00 O ATOM 0 H SER B 74 159.199 5.838 -6.447 1.00 0.00 H new ATOM 0 HA SER B 74 156.659 5.010 -5.444 1.00 0.00 H new ATOM 0 HB2 SER B 74 157.695 5.287 -8.309 1.00 0.00 H new ATOM 0 HB3 SER B 74 156.006 5.221 -7.848 1.00 0.00 H new ATOM 0 HG SER B 74 157.939 7.241 -7.209 1.00 0.00 H new ATOM 2572 N ARG B 75 158.356 2.708 -7.091 1.00 0.00 N ATOM 2573 CA ARG B 75 158.345 1.242 -7.372 1.00 0.00 C ATOM 2574 C ARG B 75 158.230 0.454 -6.066 1.00 0.00 C ATOM 2575 O ARG B 75 157.572 -0.566 -6.016 1.00 0.00 O ATOM 2576 CB ARG B 75 159.623 0.832 -8.110 1.00 0.00 C ATOM 2577 CG ARG B 75 159.590 1.396 -9.533 1.00 0.00 C ATOM 2578 CD ARG B 75 160.849 0.973 -10.292 1.00 0.00 C ATOM 2579 NE ARG B 75 160.863 1.649 -11.620 1.00 0.00 N ATOM 2580 CZ ARG B 75 161.936 1.628 -12.360 1.00 0.00 C ATOM 2581 NH1 ARG B 75 162.982 0.947 -11.979 1.00 0.00 N ATOM 2582 NH2 ARG B 75 161.956 2.276 -13.493 1.00 0.00 N ATOM 0 H ARG B 75 159.194 3.203 -7.394 1.00 0.00 H new ATOM 0 HA ARG B 75 157.484 1.018 -8.001 1.00 0.00 H new ATOM 0 HB2 ARG B 75 160.499 1.205 -7.579 1.00 0.00 H new ATOM 0 HB3 ARG B 75 159.707 -0.254 -8.139 1.00 0.00 H new ATOM 0 HG2 ARG B 75 158.703 1.037 -10.055 1.00 0.00 H new ATOM 0 HG3 ARG B 75 159.523 2.483 -9.501 1.00 0.00 H new ATOM 0 HD2 ARG B 75 161.740 1.241 -9.723 1.00 0.00 H new ATOM 0 HD3 ARG B 75 160.866 -0.109 -10.420 1.00 0.00 H new ATOM 0 HE ARG B 75 160.028 2.131 -11.952 1.00 0.00 H new ATOM 0 HH11 ARG B 75 162.961 0.429 -11.100 1.00 0.00 H new ATOM 0 HH12 ARG B 75 163.820 0.932 -12.560 1.00 0.00 H new ATOM 0 HH21 ARG B 75 161.134 2.797 -13.797 1.00 0.00 H new ATOM 0 HH22 ARG B 75 162.794 2.261 -14.074 1.00 0.00 H new ATOM 2596 N ASP B 76 158.870 0.882 -5.011 1.00 0.00 N ATOM 2597 CA ASP B 76 158.799 0.120 -3.733 1.00 0.00 C ATOM 2598 C ASP B 76 157.393 0.182 -3.140 1.00 0.00 C ATOM 2599 O ASP B 76 156.893 -0.795 -2.621 1.00 0.00 O ATOM 2600 CB ASP B 76 159.801 0.705 -2.734 1.00 0.00 C ATOM 2601 CG ASP B 76 161.226 0.383 -3.191 1.00 0.00 C ATOM 2602 OD1 ASP B 76 161.382 -0.542 -3.971 1.00 0.00 O ATOM 2603 OD2 ASP B 76 162.135 1.066 -2.753 1.00 0.00 O ATOM 0 H ASP B 76 159.439 1.728 -4.980 1.00 0.00 H new ATOM 0 HA ASP B 76 159.043 -0.923 -3.937 1.00 0.00 H new ATOM 0 HB2 ASP B 76 159.667 1.784 -2.658 1.00 0.00 H new ATOM 0 HB3 ASP B 76 159.624 0.292 -1.741 1.00 0.00 H new ATOM 2608 N CYS B 77 156.741 1.309 -3.207 1.00 0.00 N ATOM 2609 CA CYS B 77 155.369 1.397 -2.637 1.00 0.00 C ATOM 2610 C CYS B 77 154.395 0.553 -3.468 1.00 0.00 C ATOM 2611 O CYS B 77 153.515 -0.088 -2.931 1.00 0.00 O ATOM 2612 CB CYS B 77 154.910 2.856 -2.648 1.00 0.00 C ATOM 2613 SG CYS B 77 155.857 3.798 -1.426 1.00 0.00 S ATOM 0 H CYS B 77 157.096 2.167 -3.629 1.00 0.00 H new ATOM 0 HA CYS B 77 155.384 1.019 -1.615 1.00 0.00 H new ATOM 0 HB2 CYS B 77 155.050 3.284 -3.640 1.00 0.00 H new ATOM 0 HB3 CYS B 77 153.845 2.915 -2.422 1.00 0.00 H new ATOM 0 HG CYS B 77 156.329 2.988 -0.525 1.00 0.00 H new ATOM 2619 N PHE B 78 154.515 0.560 -4.768 1.00 0.00 N ATOM 2620 CA PHE B 78 153.554 -0.232 -5.587 1.00 0.00 C ATOM 2621 C PHE B 78 153.621 -1.712 -5.208 1.00 0.00 C ATOM 2622 O PHE B 78 152.644 -2.300 -4.789 1.00 0.00 O ATOM 2623 CB PHE B 78 153.899 -0.059 -7.067 1.00 0.00 C ATOM 2624 CG PHE B 78 152.967 -0.897 -7.909 1.00 0.00 C ATOM 2625 CD1 PHE B 78 151.732 -0.377 -8.318 1.00 0.00 C ATOM 2626 CD2 PHE B 78 153.343 -2.190 -8.287 1.00 0.00 C ATOM 2627 CE1 PHE B 78 150.873 -1.154 -9.106 1.00 0.00 C ATOM 2628 CE2 PHE B 78 152.483 -2.966 -9.075 1.00 0.00 C ATOM 2629 CZ PHE B 78 151.249 -2.448 -9.484 1.00 0.00 C ATOM 0 H PHE B 78 155.225 1.071 -5.292 1.00 0.00 H new ATOM 0 HA PHE B 78 152.542 0.126 -5.398 1.00 0.00 H new ATOM 0 HB2 PHE B 78 153.815 0.990 -7.349 1.00 0.00 H new ATOM 0 HB3 PHE B 78 154.932 -0.356 -7.246 1.00 0.00 H new ATOM 0 HD1 PHE B 78 151.443 0.622 -8.026 1.00 0.00 H new ATOM 0 HD2 PHE B 78 154.295 -2.590 -7.972 1.00 0.00 H new ATOM 0 HE1 PHE B 78 149.921 -0.754 -9.422 1.00 0.00 H new ATOM 0 HE2 PHE B 78 152.773 -3.965 -9.367 1.00 0.00 H new ATOM 0 HZ PHE B 78 150.587 -3.047 -10.091 1.00 0.00 H new ATOM 2639 N GLY B 79 154.762 -2.324 -5.364 1.00 0.00 N ATOM 2640 CA GLY B 79 154.891 -3.772 -5.026 1.00 0.00 C ATOM 2641 C GLY B 79 154.583 -4.005 -3.544 1.00 0.00 C ATOM 2642 O GLY B 79 154.073 -5.038 -3.161 1.00 0.00 O ATOM 0 H GLY B 79 155.614 -1.884 -5.712 1.00 0.00 H new ATOM 0 HA2 GLY B 79 154.209 -4.358 -5.642 1.00 0.00 H new ATOM 0 HA3 GLY B 79 155.900 -4.116 -5.253 1.00 0.00 H new ATOM 2646 N CYS B 80 154.888 -3.057 -2.708 1.00 0.00 N ATOM 2647 CA CYS B 80 154.608 -3.237 -1.255 1.00 0.00 C ATOM 2648 C CYS B 80 153.099 -3.192 -1.001 1.00 0.00 C ATOM 2649 O CYS B 80 152.552 -4.041 -0.327 1.00 0.00 O ATOM 2650 CB CYS B 80 155.297 -2.125 -0.466 1.00 0.00 C ATOM 2651 SG CYS B 80 154.932 -2.318 1.296 1.00 0.00 S ATOM 0 H CYS B 80 155.317 -2.168 -2.963 1.00 0.00 H new ATOM 0 HA CYS B 80 154.991 -4.205 -0.933 1.00 0.00 H new ATOM 0 HB2 CYS B 80 156.374 -2.161 -0.631 1.00 0.00 H new ATOM 0 HB3 CYS B 80 154.954 -1.151 -0.815 1.00 0.00 H new ATOM 0 HG CYS B 80 154.725 -1.150 1.827 1.00 0.00 H new ATOM 2657 N LEU B 81 152.418 -2.225 -1.545 1.00 0.00 N ATOM 2658 CA LEU B 81 150.943 -2.169 -1.331 1.00 0.00 C ATOM 2659 C LEU B 81 150.281 -3.320 -2.096 1.00 0.00 C ATOM 2660 O LEU B 81 149.349 -3.939 -1.621 1.00 0.00 O ATOM 2661 CB LEU B 81 150.403 -0.834 -1.850 1.00 0.00 C ATOM 2662 CG LEU B 81 151.041 0.327 -1.074 1.00 0.00 C ATOM 2663 CD1 LEU B 81 150.677 1.648 -1.757 1.00 0.00 C ATOM 2664 CD2 LEU B 81 150.539 0.341 0.381 1.00 0.00 C ATOM 0 H LEU B 81 152.809 -1.480 -2.121 1.00 0.00 H new ATOM 0 HA LEU B 81 150.722 -2.259 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU B 81 150.619 -0.734 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU B 81 149.319 -0.803 -1.741 1.00 0.00 H new ATOM 0 HG LEU B 81 152.123 0.199 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU B 81 151.127 2.476 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU B 81 151.051 1.643 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU B 81 149.593 1.766 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU B 81 151.001 1.170 0.917 1.00 0.00 H new ATOM 0 HD22 LEU B 81 149.456 0.461 0.391 1.00 0.00 H new ATOM 0 HD23 LEU B 81 150.805 -0.598 0.867 1.00 0.00 H new ATOM 2676 N ARG B 82 150.747 -3.600 -3.282 1.00 0.00 N ATOM 2677 CA ARG B 82 150.140 -4.699 -4.088 1.00 0.00 C ATOM 2678 C ARG B 82 150.300 -6.043 -3.370 1.00 0.00 C ATOM 2679 O ARG B 82 149.405 -6.865 -3.366 1.00 0.00 O ATOM 2680 CB ARG B 82 150.822 -4.755 -5.459 1.00 0.00 C ATOM 2681 CG ARG B 82 150.110 -5.778 -6.347 1.00 0.00 C ATOM 2682 CD ARG B 82 150.776 -5.820 -7.725 1.00 0.00 C ATOM 2683 NE ARG B 82 149.998 -6.723 -8.619 1.00 0.00 N ATOM 2684 CZ ARG B 82 150.197 -6.701 -9.909 1.00 0.00 C ATOM 2685 NH1 ARG B 82 151.106 -5.914 -10.417 1.00 0.00 N ATOM 2686 NH2 ARG B 82 149.491 -7.470 -10.691 1.00 0.00 N ATOM 0 H ARG B 82 151.524 -3.114 -3.730 1.00 0.00 H new ATOM 0 HA ARG B 82 149.076 -4.502 -4.215 1.00 0.00 H new ATOM 0 HB2 ARG B 82 150.798 -3.772 -5.929 1.00 0.00 H new ATOM 0 HB3 ARG B 82 151.871 -5.027 -5.343 1.00 0.00 H new ATOM 0 HG2 ARG B 82 150.148 -6.764 -5.884 1.00 0.00 H new ATOM 0 HG3 ARG B 82 149.057 -5.514 -6.449 1.00 0.00 H new ATOM 0 HD2 ARG B 82 150.821 -4.818 -8.151 1.00 0.00 H new ATOM 0 HD3 ARG B 82 151.803 -6.174 -7.635 1.00 0.00 H new ATOM 0 HE ARG B 82 149.308 -7.360 -8.222 1.00 0.00 H new ATOM 0 HH11 ARG B 82 151.662 -5.315 -9.806 1.00 0.00 H new ATOM 0 HH12 ARG B 82 151.261 -5.898 -11.425 1.00 0.00 H new ATOM 0 HH21 ARG B 82 148.783 -8.089 -10.295 1.00 0.00 H new ATOM 0 HH22 ARG B 82 149.646 -7.453 -11.699 1.00 0.00 H new ATOM 2700 N GLU B 83 151.432 -6.279 -2.765 1.00 0.00 N ATOM 2701 CA GLU B 83 151.649 -7.573 -2.052 1.00 0.00 C ATOM 2702 C GLU B 83 150.789 -7.660 -0.785 1.00 0.00 C ATOM 2703 O GLU B 83 150.259 -8.707 -0.470 1.00 0.00 O ATOM 2704 CB GLU B 83 153.130 -7.727 -1.687 1.00 0.00 C ATOM 2705 CG GLU B 83 153.939 -8.034 -2.951 1.00 0.00 C ATOM 2706 CD GLU B 83 155.433 -8.030 -2.618 1.00 0.00 C ATOM 2707 OE1 GLU B 83 155.761 -7.799 -1.467 1.00 0.00 O ATOM 2708 OE2 GLU B 83 156.221 -8.262 -3.519 1.00 0.00 O ATOM 0 H GLU B 83 152.219 -5.631 -2.733 1.00 0.00 H new ATOM 0 HA GLU B 83 151.353 -8.381 -2.721 1.00 0.00 H new ATOM 0 HB2 GLU B 83 153.497 -6.813 -1.220 1.00 0.00 H new ATOM 0 HB3 GLU B 83 153.255 -8.529 -0.959 1.00 0.00 H new ATOM 0 HG2 GLU B 83 153.649 -9.004 -3.354 1.00 0.00 H new ATOM 0 HG3 GLU B 83 153.726 -7.292 -3.721 1.00 0.00 H new ATOM 2715 N TRP B 84 150.624 -6.585 -0.055 1.00 0.00 N ATOM 2716 CA TRP B 84 149.780 -6.645 1.174 1.00 0.00 C ATOM 2717 C TRP B 84 148.349 -7.026 0.784 1.00 0.00 C ATOM 2718 O TRP B 84 147.716 -7.847 1.418 1.00 0.00 O ATOM 2719 CB TRP B 84 149.775 -5.275 1.861 1.00 0.00 C ATOM 2720 CG TRP B 84 149.072 -5.378 3.179 1.00 0.00 C ATOM 2721 CD1 TRP B 84 149.675 -5.670 4.355 1.00 0.00 C ATOM 2722 CD2 TRP B 84 147.656 -5.202 3.479 1.00 0.00 C ATOM 2723 NE1 TRP B 84 148.721 -5.684 5.357 1.00 0.00 N ATOM 2724 CE2 TRP B 84 147.461 -5.403 4.867 1.00 0.00 C ATOM 2725 CE3 TRP B 84 146.533 -4.892 2.692 1.00 0.00 C ATOM 2726 CZ2 TRP B 84 146.199 -5.302 5.452 1.00 0.00 C ATOM 2727 CZ3 TRP B 84 145.260 -4.789 3.279 1.00 0.00 C ATOM 2728 CH2 TRP B 84 145.094 -4.994 4.656 1.00 0.00 C ATOM 0 H TRP B 84 151.036 -5.674 -0.257 1.00 0.00 H new ATOM 0 HA TRP B 84 150.185 -7.390 1.859 1.00 0.00 H new ATOM 0 HB2 TRP B 84 150.797 -4.927 2.009 1.00 0.00 H new ATOM 0 HB3 TRP B 84 149.277 -4.541 1.228 1.00 0.00 H new ATOM 0 HD1 TRP B 84 150.729 -5.861 4.489 1.00 0.00 H new ATOM 0 HE1 TRP B 84 148.924 -5.878 6.338 1.00 0.00 H new ATOM 0 HE3 TRP B 84 146.649 -4.732 1.630 1.00 0.00 H new ATOM 0 HZ2 TRP B 84 146.077 -5.461 6.513 1.00 0.00 H new ATOM 0 HZ3 TRP B 84 144.404 -4.550 2.665 1.00 0.00 H new ATOM 0 HH2 TRP B 84 144.113 -4.914 5.100 1.00 0.00 H new ATOM 2739 N CYS B 85 147.832 -6.413 -0.247 1.00 0.00 N ATOM 2740 CA CYS B 85 146.435 -6.716 -0.672 1.00 0.00 C ATOM 2741 C CYS B 85 146.311 -8.187 -1.070 1.00 0.00 C ATOM 2742 O CYS B 85 145.335 -8.842 -0.767 1.00 0.00 O ATOM 2743 CB CYS B 85 146.064 -5.837 -1.869 1.00 0.00 C ATOM 2744 SG CYS B 85 145.838 -4.129 -1.318 1.00 0.00 S ATOM 0 H CYS B 85 148.316 -5.716 -0.813 1.00 0.00 H new ATOM 0 HA CYS B 85 145.761 -6.513 0.160 1.00 0.00 H new ATOM 0 HB2 CYS B 85 146.847 -5.885 -2.626 1.00 0.00 H new ATOM 0 HB3 CYS B 85 145.149 -6.204 -2.333 1.00 0.00 H new ATOM 0 HG CYS B 85 145.525 -3.383 -2.335 1.00 0.00 H new ATOM 2750 N ASP B 86 147.292 -8.715 -1.741 1.00 0.00 N ATOM 2751 CA ASP B 86 147.223 -10.142 -2.153 1.00 0.00 C ATOM 2752 C ASP B 86 147.075 -11.023 -0.912 1.00 0.00 C ATOM 2753 O ASP B 86 146.505 -12.095 -0.964 1.00 0.00 O ATOM 2754 CB ASP B 86 148.504 -10.521 -2.902 1.00 0.00 C ATOM 2755 CG ASP B 86 148.491 -9.890 -4.295 1.00 0.00 C ATOM 2756 OD1 ASP B 86 147.449 -9.924 -4.929 1.00 0.00 O ATOM 2757 OD2 ASP B 86 149.521 -9.380 -4.704 1.00 0.00 O ATOM 0 H ASP B 86 148.139 -8.221 -2.022 1.00 0.00 H new ATOM 0 HA ASP B 86 146.364 -10.291 -2.808 1.00 0.00 H new ATOM 0 HB2 ASP B 86 149.377 -10.180 -2.346 1.00 0.00 H new ATOM 0 HB3 ASP B 86 148.582 -11.605 -2.984 1.00 0.00 H new ATOM 2762 N ALA B 87 147.599 -10.587 0.205 1.00 0.00 N ATOM 2763 CA ALA B 87 147.504 -11.411 1.451 1.00 0.00 C ATOM 2764 C ALA B 87 146.308 -10.988 2.314 1.00 0.00 C ATOM 2765 O ALA B 87 145.729 -11.799 3.009 1.00 0.00 O ATOM 2766 CB ALA B 87 148.785 -11.234 2.267 1.00 0.00 C ATOM 0 H ALA B 87 148.088 -9.698 0.310 1.00 0.00 H new ATOM 0 HA ALA B 87 147.369 -12.453 1.159 1.00 0.00 H new ATOM 0 HB1 ALA B 87 148.723 -11.832 3.176 1.00 0.00 H new ATOM 0 HB2 ALA B 87 149.641 -11.561 1.676 1.00 0.00 H new ATOM 0 HB3 ALA B 87 148.906 -10.183 2.531 1.00 0.00 H new ATOM 2772 N PHE B 88 145.983 -9.714 2.338 1.00 0.00 N ATOM 2773 CA PHE B 88 144.875 -9.226 3.233 1.00 0.00 C ATOM 2774 C PHE B 88 143.618 -8.788 2.464 1.00 0.00 C ATOM 2775 O PHE B 88 142.589 -8.559 3.071 1.00 0.00 O ATOM 2776 CB PHE B 88 145.392 -8.022 4.019 1.00 0.00 C ATOM 2777 CG PHE B 88 146.437 -8.460 5.017 1.00 0.00 C ATOM 2778 CD1 PHE B 88 146.044 -9.057 6.220 1.00 0.00 C ATOM 2779 CD2 PHE B 88 147.798 -8.252 4.748 1.00 0.00 C ATOM 2780 CE1 PHE B 88 147.009 -9.450 7.154 1.00 0.00 C ATOM 2781 CE2 PHE B 88 148.763 -8.642 5.686 1.00 0.00 C ATOM 2782 CZ PHE B 88 148.367 -9.241 6.888 1.00 0.00 C ATOM 0 H PHE B 88 146.435 -8.991 1.778 1.00 0.00 H new ATOM 0 HA PHE B 88 144.590 -10.058 3.877 1.00 0.00 H new ATOM 0 HB2 PHE B 88 145.817 -7.287 3.335 1.00 0.00 H new ATOM 0 HB3 PHE B 88 144.566 -7.535 4.537 1.00 0.00 H new ATOM 0 HD1 PHE B 88 144.996 -9.214 6.428 1.00 0.00 H new ATOM 0 HD2 PHE B 88 148.102 -7.792 3.819 1.00 0.00 H new ATOM 0 HE1 PHE B 88 146.706 -9.915 8.080 1.00 0.00 H new ATOM 0 HE2 PHE B 88 149.811 -8.481 5.482 1.00 0.00 H new ATOM 0 HZ PHE B 88 149.111 -9.542 7.611 1.00 0.00 H new ATOM 2792 N LEU B 89 143.660 -8.656 1.161 1.00 0.00 N ATOM 2793 CA LEU B 89 142.428 -8.219 0.418 1.00 0.00 C ATOM 2794 C LEU B 89 141.699 -9.448 -0.126 1.00 0.00 C ATOM 2795 O LEU B 89 142.363 -10.311 -0.676 1.00 0.00 O ATOM 2796 CB LEU B 89 142.825 -7.301 -0.742 1.00 0.00 C ATOM 2797 CG LEU B 89 141.573 -6.647 -1.358 1.00 0.00 C ATOM 2798 CD1 LEU B 89 141.044 -5.512 -0.457 1.00 0.00 C ATOM 2799 CD2 LEU B 89 141.935 -6.077 -2.735 1.00 0.00 C ATOM 2800 OXT LEU B 89 140.488 -9.506 0.015 1.00 0.00 O ATOM 0 H LEU B 89 144.482 -8.829 0.582 1.00 0.00 H new ATOM 0 HA LEU B 89 141.769 -7.677 1.096 1.00 0.00 H new ATOM 0 HB2 LEU B 89 143.509 -6.530 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU B 89 143.356 -7.873 -1.502 1.00 0.00 H new ATOM 0 HG LEU B 89 140.793 -7.402 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU B 89 140.160 -5.067 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU B 89 140.782 -5.916 0.521 1.00 0.00 H new ATOM 0 HD13 LEU B 89 141.815 -4.750 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU B 89 141.055 -5.612 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU B 89 142.723 -5.332 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU B 89 142.285 -6.882 -3.381 1.00 0.00 H new TER 2812 LEU B 89