USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 894 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 -155:sc= -0.199 (180deg=-1.29) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.135) USER MOD Single : A 7 SER OG : rot 180:sc=-0.00665 USER MOD Single : A 8 THR OG1 : rot -159:sc= -0.243 USER MOD Single : A 19 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.2) USER MOD Single : A 21 THR OG1 : rot -80:sc= 0.507 USER MOD Single : A 22 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.48) USER MOD Single : A 23 ASN : amide:sc= -0.255 X(o=-0.25,f=0) USER MOD Single : A 24 GLN : amide:sc= -8.3! C(o=-8.3!,f=-12!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0222 K(o=-0.022,f=-1.9!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -141:sc=-0.00257 (180deg=-0.414) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.041) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -152:sc= -0.198 (180deg=-1.6) USER MOD Single : A 44 TYR OH : rot 180:sc=-0.00118 USER MOD Single : A 50 SER OG : rot -120:sc= -0.414 USER MOD Single : A 53 ASN : amide:sc= -1.25 K(o=-1.2,f=-2.2!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 162:sc=-0.00886 (180deg=-0.181) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -6.65! K(o=-6.7!,f=-2.9) USER MOD Single : A 66 MET CE :methyl -178:sc= -0.493 (180deg=-0.519) USER MOD Single : A 68 SER OG : rot 81:sc= 0.331 USER MOD Single : A 73 HIS : no HD1:sc= -0.487 K(o=-0.49,f=-5.4!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0567 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -41:sc= 0.21 USER MOD Single : A 84 HIS : no HD1:sc= -2.85! X(o=-2.8!,f=-3) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 97 LYS NZ :NH3+ -121:sc= 0.157 (180deg=-0.228) USER MOD Single : A 102 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-1.7) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 160:sc= -0.0774 (180deg=-0.739) USER MOD Single : A 113 ASN : amide:sc= -0.225 K(o=-0.23,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.648 7.066 13.407 1.00 0.00 N ATOM 2 CA MET A 1 23.267 6.633 12.033 1.00 0.00 C ATOM 3 C MET A 1 22.064 7.451 11.555 1.00 0.00 C ATOM 4 O MET A 1 21.088 7.612 12.261 1.00 0.00 O ATOM 5 CB MET A 1 22.907 5.146 12.049 1.00 0.00 C ATOM 6 CG MET A 1 24.175 4.322 12.280 1.00 0.00 C ATOM 7 SD MET A 1 23.794 2.560 12.108 1.00 0.00 S ATOM 8 CE MET A 1 22.648 2.435 13.503 1.00 0.00 C ATOM 0 H1 MET A 1 24.567 6.651 13.659 1.00 0.00 H new ATOM 0 H2 MET A 1 23.717 8.103 13.438 1.00 0.00 H new ATOM 0 H3 MET A 1 22.926 6.747 14.084 1.00 0.00 H new ATOM 0 HA MET A 1 24.104 6.794 11.354 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.180 4.944 12.836 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.442 4.862 11.105 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.944 4.610 11.563 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.575 4.523 13.274 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.627 1.407 13.866 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.977 3.096 14.305 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.649 2.726 13.180 1.00 0.00 H new ATOM 20 N GLY A 2 22.132 7.974 10.361 1.00 0.00 N ATOM 21 CA GLY A 2 21.002 8.790 9.829 1.00 0.00 C ATOM 22 C GLY A 2 19.818 7.880 9.471 1.00 0.00 C ATOM 23 O GLY A 2 19.961 6.677 9.382 1.00 0.00 O ATOM 0 H GLY A 2 22.925 7.871 9.728 1.00 0.00 H new ATOM 0 HA2 GLY A 2 20.694 9.526 10.571 1.00 0.00 H new ATOM 0 HA3 GLY A 2 21.326 9.343 8.947 1.00 0.00 H new ATOM 27 N PRO A 3 18.652 8.452 9.263 1.00 0.00 N ATOM 28 CA PRO A 3 17.447 7.651 8.907 1.00 0.00 C ATOM 29 C PRO A 3 17.729 6.677 7.752 1.00 0.00 C ATOM 30 O PRO A 3 18.791 6.693 7.163 1.00 0.00 O ATOM 31 CB PRO A 3 16.429 8.742 8.496 1.00 0.00 C ATOM 32 CG PRO A 3 17.088 10.127 8.689 1.00 0.00 C ATOM 33 CD PRO A 3 18.457 9.925 9.360 1.00 0.00 C ATOM 0 HA PRO A 3 17.098 7.015 9.720 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.128 8.607 7.457 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.526 8.665 9.102 1.00 0.00 H new ATOM 0 HG2 PRO A 3 17.207 10.627 7.728 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.455 10.766 9.305 1.00 0.00 H new ATOM 0 HD2 PRO A 3 19.246 10.473 8.845 1.00 0.00 H new ATOM 0 HD3 PRO A 3 18.455 10.266 10.395 1.00 0.00 H new ATOM 41 N VAL A 4 16.785 5.837 7.418 1.00 0.00 N ATOM 42 CA VAL A 4 17.009 4.883 6.301 1.00 0.00 C ATOM 43 C VAL A 4 16.795 5.641 4.969 1.00 0.00 C ATOM 44 O VAL A 4 15.774 6.275 4.797 1.00 0.00 O ATOM 45 CB VAL A 4 15.996 3.736 6.412 1.00 0.00 C ATOM 46 CG1 VAL A 4 16.225 2.976 7.722 1.00 0.00 C ATOM 47 CG2 VAL A 4 14.568 4.295 6.391 1.00 0.00 C ATOM 0 H VAL A 4 15.873 5.773 7.870 1.00 0.00 H new ATOM 0 HA VAL A 4 18.019 4.474 6.340 1.00 0.00 H new ATOM 0 HB VAL A 4 16.129 3.060 5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 4 15.505 2.161 7.801 1.00 0.00 H new ATOM 0 HG12 VAL A 4 17.236 2.569 7.735 1.00 0.00 H new ATOM 0 HG13 VAL A 4 16.097 3.656 8.564 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.855 3.474 6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.432 4.977 7.231 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.401 4.832 5.457 1.00 0.00 H new ATOM 57 N PRO A 5 17.727 5.609 4.026 1.00 0.00 N ATOM 58 CA PRO A 5 17.520 6.353 2.750 1.00 0.00 C ATOM 59 C PRO A 5 16.191 5.964 2.068 1.00 0.00 C ATOM 60 O PRO A 5 15.550 5.012 2.466 1.00 0.00 O ATOM 61 CB PRO A 5 18.744 5.938 1.905 1.00 0.00 C ATOM 62 CG PRO A 5 19.690 5.097 2.788 1.00 0.00 C ATOM 63 CD PRO A 5 19.013 4.861 4.152 1.00 0.00 C ATOM 0 HA PRO A 5 17.445 7.431 2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.426 5.362 1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.262 6.821 1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.910 4.145 2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.640 5.614 2.922 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.846 3.801 4.341 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.620 5.239 4.974 1.00 0.00 H new ATOM 71 N PRO A 6 15.777 6.692 1.054 1.00 0.00 N ATOM 72 CA PRO A 6 14.500 6.375 0.349 1.00 0.00 C ATOM 73 C PRO A 6 14.581 5.062 -0.442 1.00 0.00 C ATOM 74 O PRO A 6 13.728 4.204 -0.332 1.00 0.00 O ATOM 75 CB PRO A 6 14.336 7.584 -0.591 1.00 0.00 C ATOM 76 CG PRO A 6 15.689 8.314 -0.665 1.00 0.00 C ATOM 77 CD PRO A 6 16.537 7.871 0.540 1.00 0.00 C ATOM 0 HA PRO A 6 13.663 6.227 1.031 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.025 7.256 -1.583 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.561 8.254 -0.219 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.200 8.076 -1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.540 9.394 -0.650 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.552 7.603 0.246 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.620 8.658 1.289 1.00 0.00 H new ATOM 85 N SER A 7 15.595 4.908 -1.244 1.00 0.00 N ATOM 86 CA SER A 7 15.729 3.662 -2.048 1.00 0.00 C ATOM 87 C SER A 7 15.831 2.457 -1.114 1.00 0.00 C ATOM 88 O SER A 7 15.312 1.396 -1.398 1.00 0.00 O ATOM 89 CB SER A 7 16.987 3.745 -2.914 1.00 0.00 C ATOM 90 OG SER A 7 18.127 3.878 -2.075 1.00 0.00 O ATOM 0 H SER A 7 16.339 5.593 -1.378 1.00 0.00 H new ATOM 0 HA SER A 7 14.854 3.550 -2.688 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.077 2.851 -3.531 1.00 0.00 H new ATOM 0 HB3 SER A 7 16.920 4.595 -3.593 1.00 0.00 H new ATOM 0 HG SER A 7 18.935 3.930 -2.627 1.00 0.00 H new ATOM 96 N THR A 8 16.497 2.608 -0.004 1.00 0.00 N ATOM 97 CA THR A 8 16.630 1.464 0.940 1.00 0.00 C ATOM 98 C THR A 8 15.261 1.155 1.551 1.00 0.00 C ATOM 99 O THR A 8 14.890 0.012 1.720 1.00 0.00 O ATOM 100 CB THR A 8 17.617 1.835 2.051 1.00 0.00 C ATOM 101 OG1 THR A 8 18.880 2.136 1.474 1.00 0.00 O ATOM 102 CG2 THR A 8 17.773 0.661 3.020 1.00 0.00 C ATOM 0 H THR A 8 16.954 3.471 0.290 1.00 0.00 H new ATOM 0 HA THR A 8 16.998 0.587 0.408 1.00 0.00 H new ATOM 0 HB THR A 8 17.240 2.702 2.593 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.580 2.047 2.154 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.476 0.931 3.808 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.806 0.423 3.463 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.149 -0.209 2.481 1.00 0.00 H new ATOM 110 N ALA A 9 14.505 2.168 1.876 1.00 0.00 N ATOM 111 CA ALA A 9 13.159 1.931 2.469 1.00 0.00 C ATOM 112 C ALA A 9 12.280 1.183 1.462 1.00 0.00 C ATOM 113 O ALA A 9 11.535 0.291 1.818 1.00 0.00 O ATOM 114 CB ALA A 9 12.512 3.276 2.816 1.00 0.00 C ATOM 0 H ALA A 9 14.761 3.148 1.757 1.00 0.00 H new ATOM 0 HA ALA A 9 13.260 1.332 3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.527 3.105 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.138 3.806 3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.411 3.875 1.911 1.00 0.00 H new ATOM 120 N LEU A 10 12.354 1.544 0.209 1.00 0.00 N ATOM 121 CA LEU A 10 11.514 0.855 -0.810 1.00 0.00 C ATOM 122 C LEU A 10 11.904 -0.624 -0.865 1.00 0.00 C ATOM 123 O LEU A 10 11.059 -1.498 -0.842 1.00 0.00 O ATOM 124 CB LEU A 10 11.739 1.497 -2.185 1.00 0.00 C ATOM 125 CG LEU A 10 10.772 0.890 -3.222 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.348 1.433 -3.014 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.250 1.248 -4.632 1.00 0.00 C ATOM 0 H LEU A 10 12.958 2.283 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 10 10.462 0.948 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.585 2.574 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.770 1.340 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 10 10.757 -0.193 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.679 0.994 -3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.002 1.173 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.352 2.517 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.568 0.820 -5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.271 2.332 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.251 0.847 -4.789 1.00 0.00 H new ATOM 139 N ARG A 11 13.175 -0.916 -0.938 1.00 0.00 N ATOM 140 CA ARG A 11 13.601 -2.342 -0.993 1.00 0.00 C ATOM 141 C ARG A 11 13.114 -3.046 0.270 1.00 0.00 C ATOM 142 O ARG A 11 12.610 -4.150 0.225 1.00 0.00 O ATOM 143 CB ARG A 11 15.128 -2.414 -1.069 1.00 0.00 C ATOM 144 CG ARG A 11 15.593 -1.913 -2.438 1.00 0.00 C ATOM 145 CD ARG A 11 17.121 -1.872 -2.475 1.00 0.00 C ATOM 146 NE ARG A 11 17.663 -3.215 -2.128 1.00 0.00 N ATOM 147 CZ ARG A 11 18.912 -3.498 -2.377 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.681 -2.611 -2.947 1.00 0.00 N ATOM 149 NH2 ARG A 11 19.391 -4.669 -2.059 1.00 0.00 N ATOM 0 H ARG A 11 13.932 -0.233 -0.962 1.00 0.00 H new ATOM 0 HA ARG A 11 13.177 -2.827 -1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.571 -1.809 -0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.463 -3.439 -0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.217 -2.569 -3.224 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.187 -0.920 -2.630 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.463 -1.575 -3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.492 -1.126 -1.773 1.00 0.00 H new ATOM 0 HE ARG A 11 17.058 -3.913 -1.696 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.306 -1.696 -3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.657 -2.832 -3.142 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.789 -5.363 -1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.367 -4.891 -2.254 1.00 0.00 H new ATOM 163 N GLU A 12 13.236 -2.401 1.395 1.00 0.00 N ATOM 164 CA GLU A 12 12.754 -3.015 2.659 1.00 0.00 C ATOM 165 C GLU A 12 11.240 -3.207 2.570 1.00 0.00 C ATOM 166 O GLU A 12 10.702 -4.203 3.010 1.00 0.00 O ATOM 167 CB GLU A 12 13.099 -2.104 3.840 1.00 0.00 C ATOM 168 CG GLU A 12 14.610 -2.137 4.081 1.00 0.00 C ATOM 169 CD GLU A 12 14.961 -1.229 5.260 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.090 -0.497 5.699 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.096 -1.281 5.705 1.00 0.00 O ATOM 0 H GLU A 12 13.650 -1.474 1.493 1.00 0.00 H new ATOM 0 HA GLU A 12 13.236 -3.981 2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.774 -1.084 3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.569 -2.433 4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.934 -3.157 4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.139 -1.809 3.186 1.00 0.00 H new ATOM 178 N LEU A 13 10.549 -2.254 2.004 1.00 0.00 N ATOM 179 CA LEU A 13 9.069 -2.374 1.886 1.00 0.00 C ATOM 180 C LEU A 13 8.719 -3.475 0.880 1.00 0.00 C ATOM 181 O LEU A 13 7.871 -4.308 1.131 1.00 0.00 O ATOM 182 CB LEU A 13 8.499 -1.031 1.404 1.00 0.00 C ATOM 183 CG LEU A 13 6.972 -1.111 1.255 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.323 -1.428 2.611 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.452 0.235 0.739 1.00 0.00 C ATOM 0 H LEU A 13 10.947 -1.398 1.618 1.00 0.00 H new ATOM 0 HA LEU A 13 8.640 -2.630 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.759 -0.245 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.949 -0.761 0.449 1.00 0.00 H new ATOM 0 HG LEU A 13 6.718 -1.904 0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.241 -1.482 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.696 -2.384 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.571 -0.643 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.368 0.189 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.712 1.021 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.905 0.454 -0.228 1.00 0.00 H new ATOM 197 N ILE A 14 9.360 -3.487 -0.257 1.00 0.00 N ATOM 198 CA ILE A 14 9.050 -4.536 -1.270 1.00 0.00 C ATOM 199 C ILE A 14 9.332 -5.930 -0.693 1.00 0.00 C ATOM 200 O ILE A 14 8.516 -6.825 -0.786 1.00 0.00 O ATOM 201 CB ILE A 14 9.906 -4.311 -2.527 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.453 -3.021 -3.223 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.733 -5.493 -3.490 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.423 -2.674 -4.355 1.00 0.00 C ATOM 0 H ILE A 14 10.082 -2.819 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 14 7.995 -4.471 -1.535 1.00 0.00 H new ATOM 0 HB ILE A 14 10.954 -4.229 -2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.446 -3.146 -3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.413 -2.204 -2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.341 -5.330 -4.380 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.050 -6.413 -2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.685 -5.578 -3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.096 -1.757 -4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.423 -2.530 -3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.441 -3.487 -5.081 1.00 0.00 H new ATOM 216 N GLU A 15 10.491 -6.130 -0.120 1.00 0.00 N ATOM 217 CA GLU A 15 10.833 -7.476 0.434 1.00 0.00 C ATOM 218 C GLU A 15 9.842 -7.899 1.522 1.00 0.00 C ATOM 219 O GLU A 15 9.445 -9.045 1.591 1.00 0.00 O ATOM 220 CB GLU A 15 12.242 -7.447 1.027 1.00 0.00 C ATOM 221 CG GLU A 15 13.270 -7.326 -0.098 1.00 0.00 C ATOM 222 CD GLU A 15 14.679 -7.322 0.497 1.00 0.00 C ATOM 223 OE1 GLU A 15 15.209 -8.399 0.719 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.205 -6.245 0.719 1.00 0.00 O ATOM 0 H GLU A 15 11.216 -5.420 -0.011 1.00 0.00 H new ATOM 0 HA GLU A 15 10.782 -8.197 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.341 -6.607 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.424 -8.354 1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.161 -8.156 -0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.100 -6.410 -0.664 1.00 0.00 H new ATOM 231 N GLU A 16 9.452 -7.005 2.386 1.00 0.00 N ATOM 232 CA GLU A 16 8.506 -7.402 3.468 1.00 0.00 C ATOM 233 C GLU A 16 7.125 -7.687 2.876 1.00 0.00 C ATOM 234 O GLU A 16 6.479 -8.647 3.241 1.00 0.00 O ATOM 235 CB GLU A 16 8.397 -6.270 4.491 1.00 0.00 C ATOM 236 CG GLU A 16 7.611 -6.744 5.717 1.00 0.00 C ATOM 237 CD GLU A 16 8.419 -7.802 6.471 1.00 0.00 C ATOM 238 OE1 GLU A 16 9.621 -7.855 6.270 1.00 0.00 O ATOM 239 OE2 GLU A 16 7.822 -8.543 7.235 1.00 0.00 O ATOM 0 H GLU A 16 9.742 -6.027 2.392 1.00 0.00 H new ATOM 0 HA GLU A 16 8.879 -8.303 3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.393 -5.943 4.791 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.901 -5.409 4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.398 -5.900 6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.651 -7.158 5.408 1.00 0.00 H new ATOM 246 N LEU A 17 6.664 -6.867 1.969 1.00 0.00 N ATOM 247 CA LEU A 17 5.319 -7.108 1.369 1.00 0.00 C ATOM 248 C LEU A 17 5.317 -8.442 0.617 1.00 0.00 C ATOM 249 O LEU A 17 4.366 -9.195 0.672 1.00 0.00 O ATOM 250 CB LEU A 17 4.976 -5.981 0.388 1.00 0.00 C ATOM 251 CG LEU A 17 4.716 -4.673 1.149 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.554 -3.532 0.138 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.439 -4.791 2.010 1.00 0.00 C ATOM 0 H LEU A 17 7.157 -6.045 1.619 1.00 0.00 H new ATOM 0 HA LEU A 17 4.578 -7.136 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.795 -5.842 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.095 -6.252 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 17 5.559 -4.470 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.369 -2.599 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.465 -3.438 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.713 -3.747 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.271 -3.855 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.585 -5.001 1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.559 -5.601 2.730 1.00 0.00 H new ATOM 265 N VAL A 18 6.371 -8.734 -0.094 1.00 0.00 N ATOM 266 CA VAL A 18 6.425 -10.013 -0.858 1.00 0.00 C ATOM 267 C VAL A 18 6.461 -11.196 0.115 1.00 0.00 C ATOM 268 O VAL A 18 5.840 -12.216 -0.105 1.00 0.00 O ATOM 269 CB VAL A 18 7.691 -10.025 -1.727 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.884 -11.407 -2.358 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.560 -8.978 -2.835 1.00 0.00 C ATOM 0 H VAL A 18 7.198 -8.142 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 18 5.542 -10.098 -1.491 1.00 0.00 H new ATOM 0 HB VAL A 18 8.552 -9.794 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.785 -11.404 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.983 -12.155 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.022 -11.647 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.459 -8.987 -3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.693 -9.210 -3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.435 -7.991 -2.390 1.00 0.00 H new ATOM 281 N ASN A 19 7.203 -11.071 1.177 1.00 0.00 N ATOM 282 CA ASN A 19 7.314 -12.186 2.160 1.00 0.00 C ATOM 283 C ASN A 19 5.948 -12.556 2.761 1.00 0.00 C ATOM 284 O ASN A 19 5.654 -13.717 2.969 1.00 0.00 O ATOM 285 CB ASN A 19 8.265 -11.755 3.283 1.00 0.00 C ATOM 286 CG ASN A 19 9.708 -11.771 2.771 1.00 0.00 C ATOM 287 OD1 ASN A 19 10.490 -10.901 3.098 1.00 0.00 O ATOM 288 ND2 ASN A 19 10.098 -12.732 1.977 1.00 0.00 N ATOM 0 H ASN A 19 7.743 -10.237 1.410 1.00 0.00 H new ATOM 0 HA ASN A 19 7.696 -13.066 1.643 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.003 -10.756 3.631 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.164 -12.426 4.136 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.058 -12.751 1.633 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.443 -13.463 1.701 1.00 0.00 H new ATOM 295 N ILE A 20 5.126 -11.591 3.077 1.00 0.00 N ATOM 296 CA ILE A 20 3.802 -11.912 3.703 1.00 0.00 C ATOM 297 C ILE A 20 2.756 -12.357 2.666 1.00 0.00 C ATOM 298 O ILE A 20 1.777 -12.982 3.018 1.00 0.00 O ATOM 299 CB ILE A 20 3.293 -10.693 4.475 1.00 0.00 C ATOM 300 CG1 ILE A 20 3.228 -9.483 3.541 1.00 0.00 C ATOM 301 CG2 ILE A 20 4.246 -10.401 5.636 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.531 -8.314 4.247 1.00 0.00 C ATOM 0 H ILE A 20 5.309 -10.598 2.931 1.00 0.00 H new ATOM 0 HA ILE A 20 3.952 -12.750 4.384 1.00 0.00 H new ATOM 0 HB ILE A 20 2.295 -10.895 4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.234 -9.190 3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.687 -9.744 2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.889 -9.533 6.190 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.286 -11.264 6.300 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.243 -10.197 5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.489 -7.456 3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.519 -8.608 4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.089 -8.045 5.144 1.00 0.00 H new ATOM 314 N THR A 21 2.931 -12.048 1.401 1.00 0.00 N ATOM 315 CA THR A 21 1.906 -12.470 0.380 1.00 0.00 C ATOM 316 C THR A 21 2.356 -13.760 -0.315 1.00 0.00 C ATOM 317 O THR A 21 1.554 -14.490 -0.859 1.00 0.00 O ATOM 318 CB THR A 21 1.738 -11.369 -0.678 1.00 0.00 C ATOM 319 OG1 THR A 21 3.007 -11.049 -1.230 1.00 0.00 O ATOM 320 CG2 THR A 21 1.126 -10.118 -0.046 1.00 0.00 C ATOM 0 H THR A 21 3.727 -11.529 1.031 1.00 0.00 H new ATOM 0 HA THR A 21 0.958 -12.640 0.890 1.00 0.00 H new ATOM 0 HB THR A 21 1.074 -11.729 -1.464 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.487 -10.451 -0.620 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.012 -9.345 -0.806 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.150 -10.362 0.372 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.780 -9.754 0.747 1.00 0.00 H new ATOM 328 N GLN A 22 3.626 -14.052 -0.301 1.00 0.00 N ATOM 329 CA GLN A 22 4.106 -15.302 -0.962 1.00 0.00 C ATOM 330 C GLN A 22 3.758 -16.521 -0.104 1.00 0.00 C ATOM 331 O GLN A 22 3.471 -17.586 -0.614 1.00 0.00 O ATOM 332 CB GLN A 22 5.622 -15.231 -1.161 1.00 0.00 C ATOM 333 CG GLN A 22 5.943 -14.249 -2.290 1.00 0.00 C ATOM 334 CD GLN A 22 5.520 -14.858 -3.629 1.00 0.00 C ATOM 335 OE1 GLN A 22 5.877 -15.978 -3.939 1.00 0.00 O ATOM 336 NE2 GLN A 22 4.770 -14.166 -4.442 1.00 0.00 N ATOM 0 H GLN A 22 4.351 -13.484 0.137 1.00 0.00 H new ATOM 0 HA GLN A 22 3.616 -15.399 -1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 22 6.106 -14.911 -0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.015 -16.219 -1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.422 -13.306 -2.126 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.010 -14.026 -2.300 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.470 -13.226 -4.183 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.484 -14.565 -5.336 1.00 0.00 H new ATOM 345 N ASN A 23 3.798 -16.382 1.195 1.00 0.00 N ATOM 346 CA ASN A 23 3.487 -17.539 2.092 1.00 0.00 C ATOM 347 C ASN A 23 2.033 -17.475 2.564 1.00 0.00 C ATOM 348 O ASN A 23 1.634 -18.197 3.456 1.00 0.00 O ATOM 349 CB ASN A 23 4.410 -17.493 3.311 1.00 0.00 C ATOM 350 CG ASN A 23 5.864 -17.611 2.854 1.00 0.00 C ATOM 351 OD1 ASN A 23 6.708 -16.841 3.268 1.00 0.00 O ATOM 352 ND2 ASN A 23 6.195 -18.550 2.010 1.00 0.00 N ATOM 0 H ASN A 23 4.033 -15.514 1.677 1.00 0.00 H new ATOM 0 HA ASN A 23 3.639 -18.465 1.537 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.264 -16.561 3.856 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.166 -18.305 3.996 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.162 -18.637 1.698 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.487 -19.196 1.663 1.00 0.00 H new ATOM 359 N GLN A 24 1.233 -16.615 1.991 1.00 0.00 N ATOM 360 CA GLN A 24 -0.189 -16.520 2.438 1.00 0.00 C ATOM 361 C GLN A 24 -1.035 -17.600 1.750 1.00 0.00 C ATOM 362 O GLN A 24 -1.102 -17.683 0.541 1.00 0.00 O ATOM 363 CB GLN A 24 -0.734 -15.117 2.112 1.00 0.00 C ATOM 364 CG GLN A 24 -1.053 -14.981 0.610 1.00 0.00 C ATOM 365 CD GLN A 24 -2.468 -15.495 0.320 1.00 0.00 C ATOM 366 OE1 GLN A 24 -3.403 -15.158 1.018 1.00 0.00 O ATOM 367 NE2 GLN A 24 -2.664 -16.300 -0.688 1.00 0.00 N ATOM 0 H GLN A 24 1.499 -15.979 1.239 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.242 -16.681 3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.634 -14.928 2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.002 -14.363 2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.968 -13.938 0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.327 -15.544 0.024 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.879 -16.583 -1.275 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.602 -16.646 -0.889 1.00 0.00 H new ATOM 376 N LYS A 25 -1.685 -18.430 2.520 1.00 0.00 N ATOM 377 CA LYS A 25 -2.537 -19.494 1.918 1.00 0.00 C ATOM 378 C LYS A 25 -3.886 -18.881 1.536 1.00 0.00 C ATOM 379 O LYS A 25 -4.494 -19.245 0.550 1.00 0.00 O ATOM 380 CB LYS A 25 -2.754 -20.619 2.933 1.00 0.00 C ATOM 381 CG LYS A 25 -3.557 -21.747 2.275 1.00 0.00 C ATOM 382 CD LYS A 25 -3.649 -22.956 3.219 1.00 0.00 C ATOM 383 CE LYS A 25 -4.743 -22.727 4.268 1.00 0.00 C ATOM 384 NZ LYS A 25 -4.895 -23.956 5.098 1.00 0.00 N ATOM 0 H LYS A 25 -1.663 -18.417 3.540 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.049 -19.905 1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.794 -20.997 3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.286 -20.240 3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.558 -21.393 2.027 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.082 -22.043 1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.867 -23.858 2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.690 -23.115 3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.485 -21.877 4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.687 -22.485 3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.637 -23.804 5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.160 -24.756 4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.995 -24.167 5.574 1.00 0.00 H new ATOM 398 N ALA A 26 -4.352 -17.946 2.324 1.00 0.00 N ATOM 399 CA ALA A 26 -5.660 -17.281 2.044 1.00 0.00 C ATOM 400 C ALA A 26 -5.531 -15.792 2.410 1.00 0.00 C ATOM 401 O ALA A 26 -4.614 -15.407 3.108 1.00 0.00 O ATOM 402 CB ALA A 26 -6.755 -17.964 2.897 1.00 0.00 C ATOM 0 H ALA A 26 -3.875 -17.611 3.161 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.931 -17.368 0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.717 -17.489 2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.813 -19.021 2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.508 -17.865 3.954 1.00 0.00 H new ATOM 408 N PRO A 27 -6.433 -14.956 1.949 1.00 0.00 N ATOM 409 CA PRO A 27 -6.362 -13.506 2.267 1.00 0.00 C ATOM 410 C PRO A 27 -5.985 -13.261 3.735 1.00 0.00 C ATOM 411 O PRO A 27 -6.506 -13.891 4.634 1.00 0.00 O ATOM 412 CB PRO A 27 -7.793 -13.041 1.947 1.00 0.00 C ATOM 413 CG PRO A 27 -8.450 -14.114 1.051 1.00 0.00 C ATOM 414 CD PRO A 27 -7.576 -15.385 1.096 1.00 0.00 C ATOM 0 HA PRO A 27 -5.596 -12.969 1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.365 -12.908 2.865 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.777 -12.077 1.439 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.459 -14.334 1.400 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.539 -13.751 0.027 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.111 -16.231 1.528 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.249 -15.689 0.102 1.00 0.00 H new ATOM 422 N LEU A 28 -5.071 -12.363 3.980 1.00 0.00 N ATOM 423 CA LEU A 28 -4.649 -12.095 5.384 1.00 0.00 C ATOM 424 C LEU A 28 -5.845 -11.585 6.189 1.00 0.00 C ATOM 425 O LEU A 28 -6.082 -12.008 7.304 1.00 0.00 O ATOM 426 CB LEU A 28 -3.549 -11.030 5.384 1.00 0.00 C ATOM 427 CG LEU A 28 -2.340 -11.521 4.574 1.00 0.00 C ATOM 428 CD1 LEU A 28 -1.356 -10.362 4.389 1.00 0.00 C ATOM 429 CD2 LEU A 28 -1.639 -12.679 5.307 1.00 0.00 C ATOM 0 H LEU A 28 -4.599 -11.804 3.270 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.274 -13.014 5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.930 -10.102 4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.246 -10.809 6.407 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.682 -11.878 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.495 -10.704 3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.848 -9.549 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.024 -10.008 5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.784 -13.016 4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.297 -12.337 6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.339 -13.505 5.436 1.00 0.00 H new ATOM 441 N CYS A 29 -6.602 -10.683 5.632 1.00 0.00 N ATOM 442 CA CYS A 29 -7.788 -10.146 6.359 1.00 0.00 C ATOM 443 C CYS A 29 -8.978 -11.084 6.157 1.00 0.00 C ATOM 444 O CYS A 29 -8.929 -12.004 5.365 1.00 0.00 O ATOM 445 CB CYS A 29 -8.136 -8.761 5.812 1.00 0.00 C ATOM 446 SG CYS A 29 -6.877 -7.571 6.334 1.00 0.00 S ATOM 0 H CYS A 29 -6.451 -10.292 4.702 1.00 0.00 H new ATOM 0 HA CYS A 29 -7.559 -10.072 7.422 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.193 -8.792 4.724 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.116 -8.451 6.174 1.00 0.00 H new ATOM 451 N ASN A 30 -10.051 -10.853 6.862 1.00 0.00 N ATOM 452 CA ASN A 30 -11.252 -11.721 6.706 1.00 0.00 C ATOM 453 C ASN A 30 -11.851 -11.507 5.314 1.00 0.00 C ATOM 454 O ASN A 30 -13.044 -11.333 5.162 1.00 0.00 O ATOM 455 CB ASN A 30 -12.284 -11.356 7.774 1.00 0.00 C ATOM 456 CG ASN A 30 -11.770 -11.802 9.143 1.00 0.00 C ATOM 457 OD1 ASN A 30 -10.916 -12.662 9.232 1.00 0.00 O ATOM 458 ND2 ASN A 30 -12.254 -11.250 10.221 1.00 0.00 N ATOM 0 H ASN A 30 -10.148 -10.098 7.541 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.969 -12.767 6.822 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.462 -10.281 7.772 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.237 -11.838 7.555 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.916 -11.540 11.138 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.971 -10.528 10.147 1.00 0.00 H new ATOM 465 N GLY A 31 -11.032 -11.512 4.298 1.00 0.00 N ATOM 466 CA GLY A 31 -11.555 -11.301 2.921 1.00 0.00 C ATOM 467 C GLY A 31 -11.937 -9.831 2.750 1.00 0.00 C ATOM 468 O GLY A 31 -12.727 -9.479 1.897 1.00 0.00 O ATOM 0 H GLY A 31 -10.024 -11.653 4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.801 -11.581 2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.423 -11.938 2.747 1.00 0.00 H new ATOM 472 N SER A 32 -11.383 -8.969 3.560 1.00 0.00 N ATOM 473 CA SER A 32 -11.718 -7.524 3.447 1.00 0.00 C ATOM 474 C SER A 32 -11.293 -7.010 2.071 1.00 0.00 C ATOM 475 O SER A 32 -10.230 -7.342 1.575 1.00 0.00 O ATOM 476 CB SER A 32 -10.980 -6.742 4.535 1.00 0.00 C ATOM 477 OG SER A 32 -11.493 -7.112 5.809 1.00 0.00 O ATOM 0 H SER A 32 -10.714 -9.205 4.293 1.00 0.00 H new ATOM 0 HA SER A 32 -12.793 -7.389 3.570 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.911 -6.949 4.486 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.105 -5.671 4.377 1.00 0.00 H new ATOM 0 HG SER A 32 -11.021 -6.614 6.509 1.00 0.00 H new ATOM 483 N MET A 33 -12.113 -6.195 1.453 1.00 0.00 N ATOM 484 CA MET A 33 -11.771 -5.639 0.109 1.00 0.00 C ATOM 485 C MET A 33 -11.537 -4.134 0.253 1.00 0.00 C ATOM 486 O MET A 33 -12.043 -3.509 1.164 1.00 0.00 O ATOM 487 CB MET A 33 -12.928 -5.910 -0.862 1.00 0.00 C ATOM 488 CG MET A 33 -13.262 -7.415 -0.865 1.00 0.00 C ATOM 489 SD MET A 33 -13.909 -7.896 -2.486 1.00 0.00 S ATOM 490 CE MET A 33 -15.364 -6.825 -2.491 1.00 0.00 C ATOM 0 H MET A 33 -13.012 -5.890 1.826 1.00 0.00 H new ATOM 0 HA MET A 33 -10.870 -6.111 -0.283 1.00 0.00 H new ATOM 0 HB2 MET A 33 -13.805 -5.334 -0.568 1.00 0.00 H new ATOM 0 HB3 MET A 33 -12.656 -5.586 -1.867 1.00 0.00 H new ATOM 0 HG2 MET A 33 -12.369 -7.996 -0.633 1.00 0.00 H new ATOM 0 HG3 MET A 33 -13.996 -7.636 -0.090 1.00 0.00 H new ATOM 0 HE1 MET A 33 -16.206 -7.357 -2.935 1.00 0.00 H new ATOM 0 HE2 MET A 33 -15.612 -6.543 -1.468 1.00 0.00 H new ATOM 0 HE3 MET A 33 -15.153 -5.928 -3.073 1.00 0.00 H new ATOM 500 N VAL A 34 -10.756 -3.552 -0.626 1.00 0.00 N ATOM 501 CA VAL A 34 -10.461 -2.083 -0.535 1.00 0.00 C ATOM 502 C VAL A 34 -10.820 -1.393 -1.851 1.00 0.00 C ATOM 503 O VAL A 34 -10.954 -2.020 -2.884 1.00 0.00 O ATOM 504 CB VAL A 34 -8.968 -1.887 -0.249 1.00 0.00 C ATOM 505 CG1 VAL A 34 -8.682 -2.208 1.221 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.151 -2.825 -1.144 1.00 0.00 C ATOM 0 H VAL A 34 -10.308 -4.032 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.054 -1.646 0.268 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.691 -0.853 -0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.620 -2.069 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.264 -1.542 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.958 -3.242 1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.089 -2.687 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.428 -3.859 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.354 -2.598 -2.191 1.00 0.00 H new ATOM 516 N TRP A 35 -10.987 -0.100 -1.809 1.00 0.00 N ATOM 517 CA TRP A 35 -11.351 0.656 -3.039 1.00 0.00 C ATOM 518 C TRP A 35 -10.147 0.746 -3.973 1.00 0.00 C ATOM 519 O TRP A 35 -9.036 0.999 -3.550 1.00 0.00 O ATOM 520 CB TRP A 35 -11.783 2.069 -2.648 1.00 0.00 C ATOM 521 CG TRP A 35 -13.016 1.992 -1.813 1.00 0.00 C ATOM 522 CD1 TRP A 35 -13.032 1.886 -0.465 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.408 2.010 -2.240 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.344 1.839 -0.036 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.230 1.911 -1.092 1.00 0.00 C ATOM 526 CE3 TRP A 35 -15.033 2.102 -3.498 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.620 1.902 -1.186 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.436 2.093 -3.594 1.00 0.00 C ATOM 529 CH2 TRP A 35 -17.225 1.993 -2.440 1.00 0.00 C ATOM 0 H TRP A 35 -10.886 0.469 -0.968 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.165 0.140 -3.549 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.986 2.566 -2.095 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.971 2.665 -3.541 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.161 1.845 0.172 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.624 1.761 0.942 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.433 2.180 -4.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.225 1.825 -0.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.908 2.164 -4.563 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.302 1.986 -2.521 1.00 0.00 H new ATOM 540 N SER A 36 -10.361 0.560 -5.245 1.00 0.00 N ATOM 541 CA SER A 36 -9.231 0.655 -6.204 1.00 0.00 C ATOM 542 C SER A 36 -8.795 2.116 -6.297 1.00 0.00 C ATOM 543 O SER A 36 -9.593 3.018 -6.127 1.00 0.00 O ATOM 544 CB SER A 36 -9.686 0.168 -7.580 1.00 0.00 C ATOM 545 OG SER A 36 -10.643 1.078 -8.106 1.00 0.00 O ATOM 0 H SER A 36 -11.268 0.347 -5.660 1.00 0.00 H new ATOM 0 HA SER A 36 -8.399 0.037 -5.865 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.832 0.091 -8.253 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.120 -0.829 -7.501 1.00 0.00 H new ATOM 0 HG SER A 36 -10.936 0.770 -8.989 1.00 0.00 H new ATOM 551 N ILE A 37 -7.538 2.359 -6.564 1.00 0.00 N ATOM 552 CA ILE A 37 -7.038 3.768 -6.669 1.00 0.00 C ATOM 553 C ILE A 37 -6.220 3.930 -7.946 1.00 0.00 C ATOM 554 O ILE A 37 -5.735 2.970 -8.510 1.00 0.00 O ATOM 555 CB ILE A 37 -6.155 4.099 -5.456 1.00 0.00 C ATOM 556 CG1 ILE A 37 -4.957 3.131 -5.371 1.00 0.00 C ATOM 557 CG2 ILE A 37 -6.986 3.977 -4.179 1.00 0.00 C ATOM 558 CD1 ILE A 37 -3.903 3.689 -4.404 1.00 0.00 C ATOM 0 H ILE A 37 -6.830 1.640 -6.715 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.891 4.446 -6.693 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.778 5.116 -5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.293 2.151 -5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.519 2.992 -6.360 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.363 4.211 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.823 4.674 -4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.365 2.959 -4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.060 3.001 -4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.557 4.658 -4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.343 3.804 -3.413 1.00 0.00 H new ATOM 570 N ASN A 38 -6.033 5.141 -8.390 1.00 0.00 N ATOM 571 CA ASN A 38 -5.213 5.357 -9.609 1.00 0.00 C ATOM 572 C ASN A 38 -3.753 5.406 -9.167 1.00 0.00 C ATOM 573 O ASN A 38 -3.391 6.152 -8.280 1.00 0.00 O ATOM 574 CB ASN A 38 -5.597 6.686 -10.269 1.00 0.00 C ATOM 575 CG ASN A 38 -7.025 6.599 -10.811 1.00 0.00 C ATOM 576 OD1 ASN A 38 -7.756 7.569 -10.786 1.00 0.00 O ATOM 577 ND2 ASN A 38 -7.457 5.470 -11.303 1.00 0.00 N ATOM 0 H ASN A 38 -6.412 5.986 -7.962 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.376 4.557 -10.331 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.521 7.498 -9.545 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.904 6.915 -11.078 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.408 5.403 -11.666 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.844 4.655 -11.324 1.00 0.00 H new ATOM 584 N LEU A 39 -2.914 4.605 -9.756 1.00 0.00 N ATOM 585 CA LEU A 39 -1.486 4.599 -9.339 1.00 0.00 C ATOM 586 C LEU A 39 -0.777 5.804 -9.959 1.00 0.00 C ATOM 587 O LEU A 39 -0.457 5.818 -11.131 1.00 0.00 O ATOM 588 CB LEU A 39 -0.819 3.307 -9.823 1.00 0.00 C ATOM 589 CG LEU A 39 -1.310 2.093 -9.006 1.00 0.00 C ATOM 590 CD1 LEU A 39 -0.850 2.200 -7.541 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.841 2.000 -9.064 1.00 0.00 C ATOM 0 H LEU A 39 -3.153 3.956 -10.506 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.420 4.655 -8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.040 3.153 -10.879 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.264 3.397 -9.734 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.879 1.192 -9.442 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.207 1.334 -6.983 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.239 2.232 -7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.256 3.109 -7.098 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.175 1.140 -8.484 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.277 2.909 -8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.160 1.885 -10.100 1.00 0.00 H new ATOM 603 N THR A 40 -0.531 6.817 -9.170 1.00 0.00 N ATOM 604 CA THR A 40 0.159 8.039 -9.682 1.00 0.00 C ATOM 605 C THR A 40 1.132 8.537 -8.612 1.00 0.00 C ATOM 606 O THR A 40 1.095 8.085 -7.493 1.00 0.00 O ATOM 607 CB THR A 40 -0.877 9.122 -9.987 1.00 0.00 C ATOM 608 OG1 THR A 40 -1.568 9.462 -8.794 1.00 0.00 O ATOM 609 CG2 THR A 40 -1.871 8.599 -11.025 1.00 0.00 C ATOM 0 H THR A 40 -0.781 6.850 -8.182 1.00 0.00 H new ATOM 0 HA THR A 40 0.705 7.805 -10.596 1.00 0.00 H new ATOM 0 HB THR A 40 -0.376 10.006 -10.381 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.231 10.157 -8.987 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.610 9.371 -11.243 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.338 8.338 -11.940 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.374 7.715 -10.634 1.00 0.00 H new ATOM 617 N ALA A 41 2.007 9.449 -8.962 1.00 0.00 N ATOM 618 CA ALA A 41 3.028 9.979 -7.990 1.00 0.00 C ATOM 619 C ALA A 41 2.528 9.938 -6.536 1.00 0.00 C ATOM 620 O ALA A 41 3.296 9.719 -5.621 1.00 0.00 O ATOM 621 CB ALA A 41 3.359 11.426 -8.357 1.00 0.00 C ATOM 0 H ALA A 41 2.061 9.858 -9.895 1.00 0.00 H new ATOM 0 HA ALA A 41 3.910 9.342 -8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.098 11.819 -7.658 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.762 11.462 -9.369 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.454 12.031 -8.305 1.00 0.00 H new ATOM 627 N GLY A 42 1.259 10.146 -6.306 1.00 0.00 N ATOM 628 CA GLY A 42 0.737 10.113 -4.902 1.00 0.00 C ATOM 629 C GLY A 42 0.243 8.701 -4.552 1.00 0.00 C ATOM 630 O GLY A 42 -0.764 8.540 -3.890 1.00 0.00 O ATOM 0 H GLY A 42 0.561 10.337 -7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.521 10.414 -4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.078 10.829 -4.792 1.00 0.00 H new ATOM 634 N MET A 43 0.926 7.674 -4.994 1.00 0.00 N ATOM 635 CA MET A 43 0.463 6.283 -4.682 1.00 0.00 C ATOM 636 C MET A 43 0.439 6.055 -3.164 1.00 0.00 C ATOM 637 O MET A 43 -0.501 5.507 -2.624 1.00 0.00 O ATOM 638 CB MET A 43 1.415 5.247 -5.293 1.00 0.00 C ATOM 639 CG MET A 43 1.671 5.547 -6.766 1.00 0.00 C ATOM 640 SD MET A 43 2.390 4.087 -7.549 1.00 0.00 S ATOM 641 CE MET A 43 3.855 3.990 -6.495 1.00 0.00 C ATOM 0 H MET A 43 1.777 7.735 -5.553 1.00 0.00 H new ATOM 0 HA MET A 43 -0.537 6.169 -5.100 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.359 5.248 -4.748 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.988 4.249 -5.189 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.739 5.819 -7.262 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.345 6.398 -6.865 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.670 3.521 -7.047 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.152 4.994 -6.192 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.628 3.396 -5.610 1.00 0.00 H new ATOM 651 N TYR A 44 1.485 6.436 -2.480 1.00 0.00 N ATOM 652 CA TYR A 44 1.546 6.205 -1.006 1.00 0.00 C ATOM 653 C TYR A 44 0.391 6.919 -0.295 1.00 0.00 C ATOM 654 O TYR A 44 -0.240 6.366 0.584 1.00 0.00 O ATOM 655 CB TYR A 44 2.884 6.725 -0.473 1.00 0.00 C ATOM 656 CG TYR A 44 4.009 5.928 -1.092 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.470 4.763 -0.468 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.589 6.354 -2.294 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.510 4.023 -1.046 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.629 5.615 -2.871 1.00 0.00 C ATOM 661 CZ TYR A 44 6.089 4.449 -2.247 1.00 0.00 C ATOM 662 OH TYR A 44 7.112 3.719 -2.815 1.00 0.00 O ATOM 0 H TYR A 44 2.302 6.898 -2.879 1.00 0.00 H new ATOM 0 HA TYR A 44 1.458 5.136 -0.811 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.998 7.783 -0.711 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.915 6.638 0.613 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.024 4.434 0.459 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.234 7.253 -2.776 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.865 3.124 -0.565 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.076 5.944 -3.797 1.00 0.00 H new ATOM 0 HH TYR A 44 7.400 4.151 -3.646 1.00 0.00 H new ATOM 672 N CYS A 45 0.106 8.135 -0.662 1.00 0.00 N ATOM 673 CA CYS A 45 -1.010 8.868 0.002 1.00 0.00 C ATOM 674 C CYS A 45 -2.343 8.210 -0.375 1.00 0.00 C ATOM 675 O CYS A 45 -3.164 7.913 0.471 1.00 0.00 O ATOM 676 CB CYS A 45 -0.996 10.327 -0.456 1.00 0.00 C ATOM 677 SG CYS A 45 0.323 11.209 0.420 1.00 0.00 S ATOM 0 H CYS A 45 0.595 8.654 -1.391 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.888 8.831 1.085 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.835 10.382 -1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.960 10.794 -0.254 1.00 0.00 H new ATOM 682 N ALA A 46 -2.560 7.982 -1.643 1.00 0.00 N ATOM 683 CA ALA A 46 -3.834 7.346 -2.092 1.00 0.00 C ATOM 684 C ALA A 46 -3.953 5.927 -1.521 1.00 0.00 C ATOM 685 O ALA A 46 -4.981 5.532 -1.008 1.00 0.00 O ATOM 686 CB ALA A 46 -3.848 7.275 -3.620 1.00 0.00 C ATOM 0 H ALA A 46 -1.906 8.210 -2.392 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.673 7.943 -1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.776 6.811 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.777 8.282 -4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.001 6.681 -3.964 1.00 0.00 H new ATOM 692 N ALA A 47 -2.913 5.151 -1.621 1.00 0.00 N ATOM 693 CA ALA A 47 -2.971 3.757 -1.099 1.00 0.00 C ATOM 694 C ALA A 47 -3.247 3.768 0.405 1.00 0.00 C ATOM 695 O ALA A 47 -3.978 2.945 0.919 1.00 0.00 O ATOM 696 CB ALA A 47 -1.634 3.062 -1.361 1.00 0.00 C ATOM 0 H ALA A 47 -2.024 5.421 -2.042 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.774 3.221 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.674 2.042 -0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.438 3.042 -2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.836 3.607 -0.857 1.00 0.00 H new ATOM 702 N LEU A 48 -2.646 4.676 1.118 1.00 0.00 N ATOM 703 CA LEU A 48 -2.848 4.723 2.592 1.00 0.00 C ATOM 704 C LEU A 48 -4.328 4.936 2.940 1.00 0.00 C ATOM 705 O LEU A 48 -4.879 4.222 3.751 1.00 0.00 O ATOM 706 CB LEU A 48 -2.000 5.861 3.173 1.00 0.00 C ATOM 707 CG LEU A 48 -2.183 5.951 4.695 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.772 4.627 5.361 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.304 7.087 5.229 1.00 0.00 C ATOM 0 H LEU A 48 -2.022 5.390 0.743 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.539 3.771 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.949 5.695 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.285 6.806 2.711 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.231 6.145 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.907 4.705 6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.392 3.818 4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.725 4.418 5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.424 7.163 6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.260 6.881 4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.602 8.027 4.764 1.00 0.00 H new ATOM 721 N GLU A 49 -4.979 5.909 2.355 1.00 0.00 N ATOM 722 CA GLU A 49 -6.417 6.145 2.701 1.00 0.00 C ATOM 723 C GLU A 49 -7.257 4.905 2.390 1.00 0.00 C ATOM 724 O GLU A 49 -8.143 4.548 3.141 1.00 0.00 O ATOM 725 CB GLU A 49 -6.965 7.350 1.927 1.00 0.00 C ATOM 726 CG GLU A 49 -6.604 7.237 0.448 1.00 0.00 C ATOM 727 CD GLU A 49 -7.309 8.346 -0.336 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.510 8.486 -0.173 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.638 9.035 -1.085 1.00 0.00 O ATOM 0 H GLU A 49 -4.585 6.544 1.661 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.478 6.352 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.048 7.403 2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.556 8.272 2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.525 7.316 0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.900 6.261 0.064 1.00 0.00 H new ATOM 736 N SER A 50 -7.001 4.240 1.299 1.00 0.00 N ATOM 737 CA SER A 50 -7.807 3.030 0.977 1.00 0.00 C ATOM 738 C SER A 50 -7.614 1.992 2.085 1.00 0.00 C ATOM 739 O SER A 50 -8.543 1.323 2.493 1.00 0.00 O ATOM 740 CB SER A 50 -7.350 2.443 -0.358 1.00 0.00 C ATOM 741 OG SER A 50 -7.657 3.357 -1.402 1.00 0.00 O ATOM 0 H SER A 50 -6.276 4.478 0.622 1.00 0.00 H new ATOM 0 HA SER A 50 -8.860 3.302 0.904 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.278 2.247 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.845 1.489 -0.537 1.00 0.00 H new ATOM 0 HG SER A 50 -8.260 2.929 -2.045 1.00 0.00 H new ATOM 747 N LEU A 51 -6.412 1.855 2.573 1.00 0.00 N ATOM 748 CA LEU A 51 -6.149 0.862 3.653 1.00 0.00 C ATOM 749 C LEU A 51 -6.804 1.327 4.960 1.00 0.00 C ATOM 750 O LEU A 51 -7.273 0.526 5.744 1.00 0.00 O ATOM 751 CB LEU A 51 -4.640 0.724 3.865 1.00 0.00 C ATOM 752 CG LEU A 51 -3.994 0.020 2.661 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.471 0.043 2.829 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.487 -1.440 2.557 1.00 0.00 C ATOM 0 H LEU A 51 -5.598 2.390 2.269 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.568 -0.101 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.194 1.709 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.444 0.156 4.775 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.276 0.543 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.004 -0.454 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.126 1.076 2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.198 -0.476 3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.019 -1.922 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.221 -1.980 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.570 -1.450 2.433 1.00 0.00 H new ATOM 766 N ILE A 52 -6.843 2.611 5.204 1.00 0.00 N ATOM 767 CA ILE A 52 -7.471 3.107 6.465 1.00 0.00 C ATOM 768 C ILE A 52 -8.867 2.494 6.597 1.00 0.00 C ATOM 769 O ILE A 52 -9.489 2.564 7.638 1.00 0.00 O ATOM 770 CB ILE A 52 -7.574 4.645 6.427 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.184 5.286 6.619 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.525 5.150 7.517 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.550 4.881 7.963 1.00 0.00 C ATOM 0 H ILE A 52 -6.470 3.334 4.589 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.861 2.818 7.320 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.967 4.931 5.452 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.528 4.985 5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.274 6.371 6.572 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.584 6.238 7.473 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.517 4.726 7.359 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.152 4.846 8.495 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.572 5.353 8.061 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.193 5.206 8.781 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.436 3.798 8.000 1.00 0.00 H new ATOM 785 N ASN A 53 -9.365 1.889 5.553 1.00 0.00 N ATOM 786 CA ASN A 53 -10.718 1.271 5.628 1.00 0.00 C ATOM 787 C ASN A 53 -10.595 -0.143 6.208 1.00 0.00 C ATOM 788 O ASN A 53 -11.564 -0.730 6.647 1.00 0.00 O ATOM 789 CB ASN A 53 -11.325 1.208 4.224 1.00 0.00 C ATOM 790 CG ASN A 53 -11.670 2.626 3.760 1.00 0.00 C ATOM 791 OD1 ASN A 53 -11.924 3.496 4.568 1.00 0.00 O ATOM 792 ND2 ASN A 53 -11.689 2.898 2.483 1.00 0.00 N ATOM 0 H ASN A 53 -8.894 1.796 4.653 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.364 1.869 6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.621 0.747 3.531 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.220 0.586 4.230 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.917 3.840 2.166 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.476 2.168 1.803 1.00 0.00 H new ATOM 799 N VAL A 54 -9.405 -0.690 6.222 1.00 0.00 N ATOM 800 CA VAL A 54 -9.207 -2.062 6.787 1.00 0.00 C ATOM 801 C VAL A 54 -8.757 -1.949 8.247 1.00 0.00 C ATOM 802 O VAL A 54 -7.743 -1.349 8.542 1.00 0.00 O ATOM 803 CB VAL A 54 -8.131 -2.795 5.987 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.111 -4.268 6.399 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.439 -2.686 4.492 1.00 0.00 C ATOM 0 H VAL A 54 -8.559 -0.245 5.866 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.145 -2.615 6.731 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.158 -2.346 6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.344 -4.794 5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.890 -4.345 7.464 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.084 -4.716 6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.671 -3.209 3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.411 -3.135 4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.455 -1.636 4.199 1.00 0.00 H new ATOM 815 N SER A 55 -9.504 -2.518 9.165 1.00 0.00 N ATOM 816 CA SER A 55 -9.124 -2.445 10.616 1.00 0.00 C ATOM 817 C SER A 55 -9.142 -3.849 11.231 1.00 0.00 C ATOM 818 O SER A 55 -9.903 -4.706 10.827 1.00 0.00 O ATOM 819 CB SER A 55 -10.127 -1.558 11.355 1.00 0.00 C ATOM 820 OG SER A 55 -10.035 -0.230 10.854 1.00 0.00 O ATOM 0 H SER A 55 -10.364 -3.032 8.972 1.00 0.00 H new ATOM 0 HA SER A 55 -8.122 -2.026 10.705 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.138 -1.941 11.220 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.922 -1.571 12.425 1.00 0.00 H new ATOM 0 HG SER A 55 -10.677 0.342 11.324 1.00 0.00 H new ATOM 826 N GLY A 56 -8.311 -4.086 12.216 1.00 0.00 N ATOM 827 CA GLY A 56 -8.277 -5.430 12.873 1.00 0.00 C ATOM 828 C GLY A 56 -7.233 -6.323 12.196 1.00 0.00 C ATOM 829 O GLY A 56 -6.961 -7.418 12.647 1.00 0.00 O ATOM 0 H GLY A 56 -7.653 -3.405 12.594 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.041 -5.320 13.931 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.260 -5.897 12.813 1.00 0.00 H new ATOM 833 N CYS A 57 -6.644 -5.870 11.120 1.00 0.00 N ATOM 834 CA CYS A 57 -5.614 -6.701 10.420 1.00 0.00 C ATOM 835 C CYS A 57 -4.214 -6.284 10.887 1.00 0.00 C ATOM 836 O CYS A 57 -3.651 -5.317 10.416 1.00 0.00 O ATOM 837 CB CYS A 57 -5.732 -6.491 8.909 1.00 0.00 C ATOM 838 SG CYS A 57 -7.245 -7.276 8.299 1.00 0.00 S ATOM 0 H CYS A 57 -6.830 -4.962 10.694 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.775 -7.753 10.655 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.746 -5.425 8.680 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.863 -6.914 8.405 1.00 0.00 H new ATOM 843 N SER A 58 -3.654 -7.009 11.816 1.00 0.00 N ATOM 844 CA SER A 58 -2.292 -6.667 12.327 1.00 0.00 C ATOM 845 C SER A 58 -1.252 -6.841 11.218 1.00 0.00 C ATOM 846 O SER A 58 -0.325 -6.066 11.094 1.00 0.00 O ATOM 847 CB SER A 58 -1.946 -7.594 13.492 1.00 0.00 C ATOM 848 OG SER A 58 -0.704 -7.196 14.057 1.00 0.00 O ATOM 0 H SER A 58 -4.082 -7.829 12.247 1.00 0.00 H new ATOM 0 HA SER A 58 -2.286 -5.629 12.660 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.731 -7.556 14.247 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.887 -8.626 13.145 1.00 0.00 H new ATOM 0 HG SER A 58 -0.480 -7.788 14.805 1.00 0.00 H new ATOM 854 N ALA A 59 -1.385 -7.868 10.431 1.00 0.00 N ATOM 855 CA ALA A 59 -0.394 -8.124 9.346 1.00 0.00 C ATOM 856 C ALA A 59 -0.108 -6.854 8.531 1.00 0.00 C ATOM 857 O ALA A 59 0.963 -6.713 7.975 1.00 0.00 O ATOM 858 CB ALA A 59 -0.941 -9.204 8.411 1.00 0.00 C ATOM 0 H ALA A 59 -2.143 -8.548 10.491 1.00 0.00 H new ATOM 0 HA ALA A 59 0.538 -8.450 9.808 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.221 -9.395 7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.111 -10.121 8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.881 -8.866 7.975 1.00 0.00 H new ATOM 864 N ILE A 60 -1.048 -5.938 8.427 1.00 0.00 N ATOM 865 CA ILE A 60 -0.802 -4.698 7.608 1.00 0.00 C ATOM 866 C ILE A 60 -0.505 -3.483 8.497 1.00 0.00 C ATOM 867 O ILE A 60 -0.239 -2.407 7.998 1.00 0.00 O ATOM 868 CB ILE A 60 -2.026 -4.410 6.732 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.264 -4.173 7.601 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.279 -5.607 5.815 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.420 -3.706 6.714 1.00 0.00 C ATOM 0 H ILE A 60 -1.966 -5.993 8.868 1.00 0.00 H new ATOM 0 HA ILE A 60 0.072 -4.876 6.981 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.834 -3.515 6.140 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.538 -5.090 8.123 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.050 -3.424 8.364 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.149 -5.408 5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.407 -5.772 5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.462 -6.496 6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.304 -3.536 7.328 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.142 -2.779 6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.638 -4.470 5.968 1.00 0.00 H new ATOM 883 N GLU A 61 -0.530 -3.621 9.796 1.00 0.00 N ATOM 884 CA GLU A 61 -0.225 -2.432 10.645 1.00 0.00 C ATOM 885 C GLU A 61 1.187 -1.955 10.310 1.00 0.00 C ATOM 886 O GLU A 61 1.431 -0.779 10.131 1.00 0.00 O ATOM 887 CB GLU A 61 -0.308 -2.798 12.130 1.00 0.00 C ATOM 888 CG GLU A 61 -1.773 -2.856 12.569 1.00 0.00 C ATOM 889 CD GLU A 61 -1.855 -3.442 13.980 1.00 0.00 C ATOM 890 OE1 GLU A 61 -0.813 -3.759 14.529 1.00 0.00 O ATOM 891 OE2 GLU A 61 -2.957 -3.561 14.488 1.00 0.00 O ATOM 0 H GLU A 61 -0.743 -4.484 10.297 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.951 -1.643 10.447 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.172 -3.761 12.304 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.231 -2.061 12.726 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.210 -1.857 12.552 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.349 -3.468 11.875 1.00 0.00 H new ATOM 898 N LYS A 62 2.116 -2.860 10.197 1.00 0.00 N ATOM 899 CA LYS A 62 3.502 -2.449 9.841 1.00 0.00 C ATOM 900 C LYS A 62 3.475 -1.813 8.457 1.00 0.00 C ATOM 901 O LYS A 62 4.127 -0.821 8.203 1.00 0.00 O ATOM 902 CB LYS A 62 4.417 -3.675 9.828 1.00 0.00 C ATOM 903 CG LYS A 62 4.627 -4.186 11.260 1.00 0.00 C ATOM 904 CD LYS A 62 5.703 -3.356 11.978 1.00 0.00 C ATOM 905 CE LYS A 62 6.054 -4.024 13.309 1.00 0.00 C ATOM 906 NZ LYS A 62 6.899 -5.225 13.057 1.00 0.00 N ATOM 0 H LYS A 62 1.978 -3.861 10.335 1.00 0.00 H new ATOM 0 HA LYS A 62 3.881 -1.736 10.573 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.978 -4.461 9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.377 -3.418 9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.689 -4.131 11.813 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.923 -5.235 11.238 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.593 -3.275 11.353 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.341 -2.342 12.151 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.585 -3.321 13.951 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.143 -4.311 13.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.384 -5.499 13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.299 -6.010 12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.605 -5.005 12.326 1.00 0.00 H new ATOM 920 N THR A 63 2.705 -2.369 7.561 1.00 0.00 N ATOM 921 CA THR A 63 2.620 -1.781 6.202 1.00 0.00 C ATOM 922 C THR A 63 2.104 -0.352 6.336 1.00 0.00 C ATOM 923 O THR A 63 2.584 0.558 5.690 1.00 0.00 O ATOM 924 CB THR A 63 1.655 -2.603 5.341 1.00 0.00 C ATOM 925 OG1 THR A 63 2.127 -3.941 5.247 1.00 0.00 O ATOM 926 CG2 THR A 63 1.570 -1.995 3.941 1.00 0.00 C ATOM 0 H THR A 63 2.135 -3.201 7.714 1.00 0.00 H new ATOM 0 HA THR A 63 3.600 -1.785 5.726 1.00 0.00 H new ATOM 0 HB THR A 63 0.666 -2.596 5.799 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.510 -4.468 4.698 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.883 -2.581 3.331 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.208 -0.969 4.011 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.558 -2.000 3.481 1.00 0.00 H new ATOM 934 N GLN A 64 1.136 -0.147 7.188 1.00 0.00 N ATOM 935 CA GLN A 64 0.593 1.225 7.382 1.00 0.00 C ATOM 936 C GLN A 64 1.706 2.153 7.868 1.00 0.00 C ATOM 937 O GLN A 64 1.832 3.270 7.407 1.00 0.00 O ATOM 938 CB GLN A 64 -0.536 1.192 8.417 1.00 0.00 C ATOM 939 CG GLN A 64 -1.752 0.479 7.825 1.00 0.00 C ATOM 940 CD GLN A 64 -2.373 1.361 6.742 1.00 0.00 C ATOM 941 OE1 GLN A 64 -2.981 2.370 7.041 1.00 0.00 O ATOM 942 NE2 GLN A 64 -2.236 1.030 5.489 1.00 0.00 N ATOM 0 H GLN A 64 0.699 -0.871 7.757 1.00 0.00 H new ATOM 0 HA GLN A 64 0.202 1.594 6.434 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.202 0.677 9.318 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.804 2.207 8.711 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.456 -0.481 7.403 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.483 0.272 8.606 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.726 0.183 5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.639 1.618 4.759 1.00 0.00 H new ATOM 951 N ARG A 65 2.518 1.711 8.793 1.00 0.00 N ATOM 952 CA ARG A 65 3.609 2.598 9.283 1.00 0.00 C ATOM 953 C ARG A 65 4.579 2.898 8.140 1.00 0.00 C ATOM 954 O ARG A 65 4.950 4.031 7.909 1.00 0.00 O ATOM 955 CB ARG A 65 4.374 1.912 10.424 1.00 0.00 C ATOM 956 CG ARG A 65 5.489 2.854 10.972 1.00 0.00 C ATOM 957 CD ARG A 65 6.878 2.240 10.740 1.00 0.00 C ATOM 958 NE ARG A 65 6.946 0.871 11.355 1.00 0.00 N ATOM 959 CZ ARG A 65 6.761 0.680 12.634 1.00 0.00 C ATOM 960 NH1 ARG A 65 6.656 1.695 13.447 1.00 0.00 N ATOM 961 NH2 ARG A 65 6.729 -0.535 13.108 1.00 0.00 N ATOM 0 H ARG A 65 2.473 0.788 9.224 1.00 0.00 H new ATOM 0 HA ARG A 65 3.170 3.526 9.649 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.685 1.649 11.226 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.817 0.983 10.066 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.427 3.824 10.479 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.335 3.027 12.037 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.083 2.178 9.671 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.645 2.881 11.175 1.00 0.00 H new ATOM 0 HE ARG A 65 7.142 0.068 10.757 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.718 2.647 13.085 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.512 1.537 14.444 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.848 -1.330 12.481 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.585 -0.690 14.106 1.00 0.00 H new ATOM 975 N MET A 66 5.007 1.886 7.433 1.00 0.00 N ATOM 976 CA MET A 66 5.969 2.113 6.319 1.00 0.00 C ATOM 977 C MET A 66 5.342 3.014 5.248 1.00 0.00 C ATOM 978 O MET A 66 5.987 3.902 4.726 1.00 0.00 O ATOM 979 CB MET A 66 6.366 0.770 5.694 1.00 0.00 C ATOM 980 CG MET A 66 7.241 -0.020 6.677 1.00 0.00 C ATOM 981 SD MET A 66 7.986 -1.441 5.833 1.00 0.00 S ATOM 982 CE MET A 66 6.520 -2.500 5.786 1.00 0.00 C ATOM 0 H MET A 66 4.732 0.915 7.579 1.00 0.00 H new ATOM 0 HA MET A 66 6.856 2.604 6.718 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.474 0.196 5.445 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.908 0.937 4.763 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.022 0.624 7.082 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.640 -0.361 7.520 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.776 -3.456 5.329 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.160 -2.668 6.801 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.740 -2.015 5.199 1.00 0.00 H new ATOM 992 N LEU A 67 4.096 2.804 4.912 1.00 0.00 N ATOM 993 CA LEU A 67 3.462 3.669 3.873 1.00 0.00 C ATOM 994 C LEU A 67 3.430 5.114 4.371 1.00 0.00 C ATOM 995 O LEU A 67 3.670 6.043 3.626 1.00 0.00 O ATOM 996 CB LEU A 67 2.025 3.209 3.604 1.00 0.00 C ATOM 997 CG LEU A 67 2.011 1.857 2.875 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.566 1.350 2.811 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.569 2.005 1.445 1.00 0.00 C ATOM 0 H LEU A 67 3.496 2.080 5.307 1.00 0.00 H new ATOM 0 HA LEU A 67 4.042 3.597 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.483 3.125 4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.506 3.956 3.004 1.00 0.00 H new ATOM 0 HG LEU A 67 2.638 1.149 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.540 0.390 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.177 1.230 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.048 2.069 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.551 1.036 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.956 2.713 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.595 2.370 1.491 1.00 0.00 H new ATOM 1011 N SER A 68 3.138 5.310 5.627 1.00 0.00 N ATOM 1012 CA SER A 68 3.093 6.694 6.171 1.00 0.00 C ATOM 1013 C SER A 68 4.465 7.341 5.997 1.00 0.00 C ATOM 1014 O SER A 68 4.579 8.504 5.663 1.00 0.00 O ATOM 1015 CB SER A 68 2.730 6.650 7.656 1.00 0.00 C ATOM 1016 OG SER A 68 1.375 6.243 7.794 1.00 0.00 O ATOM 0 H SER A 68 2.929 4.572 6.299 1.00 0.00 H new ATOM 0 HA SER A 68 2.342 7.276 5.637 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.386 5.957 8.183 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.875 7.631 8.107 1.00 0.00 H new ATOM 0 HG SER A 68 1.318 5.267 7.726 1.00 0.00 H new ATOM 1022 N GLY A 69 5.509 6.593 6.220 1.00 0.00 N ATOM 1023 CA GLY A 69 6.878 7.160 6.066 1.00 0.00 C ATOM 1024 C GLY A 69 7.007 7.816 4.688 1.00 0.00 C ATOM 1025 O GLY A 69 7.751 8.759 4.507 1.00 0.00 O ATOM 0 H GLY A 69 5.474 5.613 6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.070 7.894 6.849 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.624 6.373 6.177 1.00 0.00 H new ATOM 1029 N PHE A 70 6.289 7.320 3.711 1.00 0.00 N ATOM 1030 CA PHE A 70 6.370 7.910 2.338 1.00 0.00 C ATOM 1031 C PHE A 70 5.266 8.959 2.144 1.00 0.00 C ATOM 1032 O PHE A 70 5.295 9.721 1.198 1.00 0.00 O ATOM 1033 CB PHE A 70 6.187 6.798 1.294 1.00 0.00 C ATOM 1034 CG PHE A 70 7.460 5.998 1.150 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.424 6.386 0.210 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.673 4.864 1.942 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.599 5.641 0.063 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.850 4.120 1.797 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.813 4.507 0.857 1.00 0.00 C ATOM 0 H PHE A 70 5.649 6.531 3.805 1.00 0.00 H new ATOM 0 HA PHE A 70 7.344 8.384 2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.369 6.142 1.592 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.913 7.234 0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.260 7.261 -0.402 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.929 4.563 2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.341 5.940 -0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.015 3.247 2.411 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.720 3.932 0.744 1.00 0.00 H new ATOM 1049 N CYS A 71 4.287 9.002 3.016 1.00 0.00 N ATOM 1050 CA CYS A 71 3.182 10.004 2.855 1.00 0.00 C ATOM 1051 C CYS A 71 2.729 10.531 4.235 1.00 0.00 C ATOM 1052 O CYS A 71 1.875 9.934 4.858 1.00 0.00 O ATOM 1053 CB CYS A 71 1.984 9.328 2.138 1.00 0.00 C ATOM 1054 SG CYS A 71 1.880 9.915 0.422 1.00 0.00 S ATOM 0 H CYS A 71 4.204 8.391 3.828 1.00 0.00 H new ATOM 0 HA CYS A 71 3.544 10.844 2.262 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.103 8.245 2.154 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.058 9.555 2.666 1.00 0.00 H new ATOM 1059 N PRO A 72 3.260 11.649 4.700 1.00 0.00 N ATOM 1060 CA PRO A 72 2.824 12.236 6.011 1.00 0.00 C ATOM 1061 C PRO A 72 1.325 12.582 6.012 1.00 0.00 C ATOM 1062 O PRO A 72 0.914 13.593 6.546 1.00 0.00 O ATOM 1063 CB PRO A 72 3.676 13.517 6.086 1.00 0.00 C ATOM 1064 CG PRO A 72 4.804 13.390 5.055 1.00 0.00 C ATOM 1065 CD PRO A 72 4.336 12.398 3.985 1.00 0.00 C ATOM 0 HA PRO A 72 2.958 11.556 6.853 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.065 14.395 5.877 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.086 13.645 7.088 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.027 14.359 4.609 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.720 13.039 5.530 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.958 12.905 3.097 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.142 11.741 3.658 1.00 0.00 H new ATOM 1073 N HIS A 73 0.520 11.778 5.378 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.934 12.078 5.290 1.00 0.00 C ATOM 1075 C HIS A 73 -1.695 11.459 6.468 1.00 0.00 C ATOM 1076 O HIS A 73 -1.978 10.278 6.484 1.00 0.00 O ATOM 1077 CB HIS A 73 -1.459 11.490 3.959 1.00 0.00 C ATOM 1078 CG HIS A 73 -2.355 12.478 3.271 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -3.734 12.411 3.347 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -2.067 13.569 2.502 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -4.228 13.440 2.638 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -3.252 14.182 2.098 1.00 0.00 N ATOM 0 H HIS A 73 0.810 10.918 4.913 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.089 13.156 5.326 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.621 11.236 3.310 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.005 10.566 4.152 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.073 13.905 2.246 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.282 13.644 2.518 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.354 15.014 1.517 1.00 0.00 H new ATOM 1090 N LYS A 74 -2.068 12.256 7.432 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.852 11.714 8.573 1.00 0.00 C ATOM 1092 C LYS A 74 -4.307 11.607 8.116 1.00 0.00 C ATOM 1093 O LYS A 74 -5.064 12.554 8.204 1.00 0.00 O ATOM 1094 CB LYS A 74 -2.760 12.666 9.768 1.00 0.00 C ATOM 1095 CG LYS A 74 -1.343 12.641 10.343 1.00 0.00 C ATOM 1096 CD LYS A 74 -1.266 13.597 11.536 1.00 0.00 C ATOM 1097 CE LYS A 74 0.148 13.580 12.119 1.00 0.00 C ATOM 1098 NZ LYS A 74 0.315 14.738 13.043 1.00 0.00 N ATOM 0 H LYS A 74 -1.864 13.254 7.477 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.465 10.741 8.876 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.019 13.679 9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.478 12.373 10.534 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.082 11.630 10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.623 12.935 9.579 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.528 14.607 11.222 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.988 13.302 12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.322 12.646 12.653 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.885 13.631 11.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.276 14.729 13.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.165 15.624 12.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.380 14.670 13.814 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.699 10.471 7.603 1.00 0.00 N ATOM 1113 CA VAL A 75 -6.101 10.308 7.108 1.00 0.00 C ATOM 1114 C VAL A 75 -6.959 9.608 8.165 1.00 0.00 C ATOM 1115 O VAL A 75 -6.563 8.616 8.745 1.00 0.00 O ATOM 1116 CB VAL A 75 -6.085 9.466 5.833 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -7.522 9.225 5.362 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -5.307 10.210 4.745 1.00 0.00 C ATOM 0 H VAL A 75 -4.108 9.645 7.504 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.525 11.291 6.904 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.605 8.508 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.511 8.624 4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.076 8.697 6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.004 10.182 5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.294 9.612 3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.788 11.167 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.285 10.381 5.082 1.00 0.00 H new ATOM 1128 N SER A 76 -8.137 10.121 8.415 1.00 0.00 N ATOM 1129 CA SER A 76 -9.044 9.499 9.429 1.00 0.00 C ATOM 1130 C SER A 76 -10.109 8.665 8.713 1.00 0.00 C ATOM 1131 O SER A 76 -10.415 8.891 7.559 1.00 0.00 O ATOM 1132 CB SER A 76 -9.731 10.601 10.236 1.00 0.00 C ATOM 1133 OG SER A 76 -10.854 10.053 10.915 1.00 0.00 O ATOM 0 H SER A 76 -8.513 10.951 7.957 1.00 0.00 H new ATOM 0 HA SER A 76 -8.463 8.861 10.095 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.032 11.032 10.953 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.049 11.408 9.575 1.00 0.00 H new ATOM 0 HG SER A 76 -11.297 10.756 11.435 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.677 7.705 9.387 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.723 6.858 8.746 1.00 0.00 C ATOM 1141 C ALA A 77 -12.874 7.740 8.253 1.00 0.00 C ATOM 1142 O ALA A 77 -13.820 7.260 7.661 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.256 5.849 9.765 1.00 0.00 C ATOM 0 H ALA A 77 -10.462 7.469 10.356 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.287 6.328 7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.021 5.229 9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.439 5.217 10.112 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.688 6.381 10.612 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.802 9.027 8.496 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.892 9.954 8.047 1.00 0.00 C ATOM 1151 C GLY A 78 -13.393 10.815 6.883 1.00 0.00 C ATOM 1152 O GLY A 78 -14.158 11.229 6.034 1.00 0.00 O ATOM 0 H GLY A 78 -12.031 9.478 8.989 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.766 9.380 7.739 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.205 10.591 8.875 1.00 0.00 H new ATOM 1156 N GLN A 79 -12.116 11.097 6.839 1.00 0.00 N ATOM 1157 CA GLN A 79 -11.569 11.943 5.731 1.00 0.00 C ATOM 1158 C GLN A 79 -11.130 11.055 4.565 1.00 0.00 C ATOM 1159 O GLN A 79 -10.406 10.096 4.743 1.00 0.00 O ATOM 1160 CB GLN A 79 -10.359 12.724 6.241 1.00 0.00 C ATOM 1161 CG GLN A 79 -10.820 13.792 7.233 1.00 0.00 C ATOM 1162 CD GLN A 79 -9.606 14.571 7.740 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -8.710 14.885 6.981 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -9.532 14.890 9.003 1.00 0.00 N ATOM 0 H GLN A 79 -11.427 10.779 7.521 1.00 0.00 H new ATOM 0 HA GLN A 79 -12.344 12.631 5.393 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.653 12.047 6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.836 13.190 5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.526 14.469 6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.342 13.327 8.069 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.284 14.627 9.640 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.723 15.403 9.353 1.00 0.00 H new ATOM 1173 N PHE A 80 -11.562 11.375 3.368 1.00 0.00 N ATOM 1174 CA PHE A 80 -11.174 10.564 2.168 1.00 0.00 C ATOM 1175 C PHE A 80 -10.685 11.495 1.055 1.00 0.00 C ATOM 1176 O PHE A 80 -11.172 12.599 0.908 1.00 0.00 O ATOM 1177 CB PHE A 80 -12.383 9.766 1.700 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.709 8.739 2.755 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.922 7.588 2.871 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.781 8.945 3.631 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -12.208 6.640 3.859 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -14.067 7.999 4.622 1.00 0.00 C ATOM 1183 CZ PHE A 80 -13.281 6.846 4.735 1.00 0.00 C ATOM 0 H PHE A 80 -12.171 12.169 3.169 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.368 9.877 2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.234 10.427 1.537 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -12.171 9.279 0.748 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -11.093 7.431 2.197 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -14.388 9.834 3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.602 5.750 3.946 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.893 8.158 5.299 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.502 6.115 5.498 1.00 0.00 H new ATOM 1193 N SER A 81 -9.710 11.065 0.281 1.00 0.00 N ATOM 1194 CA SER A 81 -9.164 11.933 -0.818 1.00 0.00 C ATOM 1195 C SER A 81 -9.289 11.253 -2.192 1.00 0.00 C ATOM 1196 O SER A 81 -9.700 11.870 -3.154 1.00 0.00 O ATOM 1197 CB SER A 81 -7.687 12.213 -0.535 1.00 0.00 C ATOM 1198 OG SER A 81 -7.583 13.145 0.533 1.00 0.00 O ATOM 0 H SER A 81 -9.269 10.149 0.364 1.00 0.00 H new ATOM 0 HA SER A 81 -9.740 12.858 -0.843 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.172 11.287 -0.277 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.202 12.609 -1.427 1.00 0.00 H new ATOM 0 HG SER A 81 -6.638 13.326 0.719 1.00 0.00 H new ATOM 1204 N SER A 82 -8.898 10.005 -2.311 1.00 0.00 N ATOM 1205 CA SER A 82 -8.952 9.321 -3.649 1.00 0.00 C ATOM 1206 C SER A 82 -10.228 8.485 -3.829 1.00 0.00 C ATOM 1207 O SER A 82 -10.506 8.008 -4.911 1.00 0.00 O ATOM 1208 CB SER A 82 -7.734 8.408 -3.789 1.00 0.00 C ATOM 1209 OG SER A 82 -7.611 7.991 -5.142 1.00 0.00 O ATOM 0 H SER A 82 -8.545 9.431 -1.545 1.00 0.00 H new ATOM 0 HA SER A 82 -8.954 10.095 -4.417 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.833 8.935 -3.476 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.839 7.541 -3.137 1.00 0.00 H new ATOM 0 HG SER A 82 -8.498 7.777 -5.500 1.00 0.00 H new ATOM 1215 N LEU A 83 -11.005 8.294 -2.803 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.250 7.480 -2.965 1.00 0.00 C ATOM 1217 C LEU A 83 -13.353 8.367 -3.561 1.00 0.00 C ATOM 1218 O LEU A 83 -14.525 8.174 -3.304 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.692 6.942 -1.594 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.910 5.670 -1.245 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -10.431 6.009 -1.046 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -12.467 5.075 0.051 1.00 0.00 C ATOM 0 H LEU A 83 -10.839 8.660 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.061 6.639 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.528 7.700 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.761 6.728 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 83 -12.011 4.951 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.880 5.102 -0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.029 6.438 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.329 6.729 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.914 4.170 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.364 5.800 0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.521 4.830 -0.084 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.982 9.346 -4.349 1.00 0.00 N ATOM 1235 CA HIS A 84 -14.004 10.254 -4.954 1.00 0.00 C ATOM 1236 C HIS A 84 -14.748 9.540 -6.084 1.00 0.00 C ATOM 1237 O HIS A 84 -15.945 9.679 -6.236 1.00 0.00 O ATOM 1238 CB HIS A 84 -13.308 11.487 -5.534 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.690 12.284 -4.425 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.731 11.865 -3.107 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -12.007 13.474 -4.421 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -12.090 12.787 -2.369 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -11.629 13.791 -3.120 1.00 0.00 N ATOM 0 H HIS A 84 -12.016 9.555 -4.599 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.713 10.546 -4.179 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.542 11.183 -6.247 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -14.026 12.100 -6.079 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.795 14.073 -5.294 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.963 12.724 -1.298 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -11.112 14.613 -2.807 1.00 0.00 H new ATOM 1251 N VAL A 85 -14.050 8.783 -6.883 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.722 8.073 -8.008 1.00 0.00 C ATOM 1253 C VAL A 85 -15.495 6.877 -7.457 1.00 0.00 C ATOM 1254 O VAL A 85 -15.109 6.278 -6.473 1.00 0.00 O ATOM 1255 CB VAL A 85 -13.673 7.593 -9.012 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -12.905 8.799 -9.556 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -12.699 6.638 -8.320 1.00 0.00 C ATOM 0 H VAL A 85 -13.045 8.625 -6.807 1.00 0.00 H new ATOM 0 HA VAL A 85 -15.411 8.752 -8.510 1.00 0.00 H new ATOM 0 HB VAL A 85 -14.166 7.072 -9.833 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.156 8.461 -10.272 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.599 9.479 -10.050 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.412 9.318 -8.734 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.952 6.297 -9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.203 7.156 -7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -13.246 5.780 -7.930 1.00 0.00 H new ATOM 1267 N ARG A 86 -16.592 6.528 -8.075 1.00 0.00 N ATOM 1268 CA ARG A 86 -17.391 5.376 -7.571 1.00 0.00 C ATOM 1269 C ARG A 86 -16.905 4.092 -8.242 1.00 0.00 C ATOM 1270 O ARG A 86 -17.617 3.466 -9.002 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.868 5.598 -7.903 1.00 0.00 C ATOM 1272 CG ARG A 86 -19.400 6.771 -7.076 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.884 6.982 -7.377 1.00 0.00 C ATOM 1274 NE ARG A 86 -21.054 7.437 -8.785 1.00 0.00 N ATOM 1275 CZ ARG A 86 -22.229 7.375 -9.349 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -23.245 6.892 -8.687 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -22.389 7.792 -10.576 1.00 0.00 N ATOM 0 H ARG A 86 -16.967 6.989 -8.904 1.00 0.00 H new ATOM 0 HA ARG A 86 -17.270 5.291 -6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.987 5.804 -8.967 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -19.441 4.696 -7.687 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.259 6.573 -6.013 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.839 7.676 -7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -21.432 6.054 -7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.302 7.721 -6.693 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.254 7.796 -9.307 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -23.120 6.563 -7.729 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -24.164 6.843 -9.127 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -21.595 8.167 -11.095 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -23.308 7.743 -11.016 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.697 3.692 -7.955 1.00 0.00 N ATOM 1292 CA ASP A 87 -15.154 2.443 -8.558 1.00 0.00 C ATOM 1293 C ASP A 87 -15.594 1.252 -7.707 1.00 0.00 C ATOM 1294 O ASP A 87 -16.202 1.414 -6.670 1.00 0.00 O ATOM 1295 CB ASP A 87 -13.625 2.507 -8.595 1.00 0.00 C ATOM 1296 CG ASP A 87 -13.180 3.545 -9.628 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.989 3.898 -10.470 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -12.037 3.966 -9.560 1.00 0.00 O ATOM 0 H ASP A 87 -15.060 4.179 -7.325 1.00 0.00 H new ATOM 0 HA ASP A 87 -15.530 2.333 -9.575 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.238 2.770 -7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.216 1.529 -8.848 1.00 0.00 H new ATOM 1303 N THR A 88 -15.293 0.057 -8.133 1.00 0.00 N ATOM 1304 CA THR A 88 -15.698 -1.142 -7.343 1.00 0.00 C ATOM 1305 C THR A 88 -14.578 -1.499 -6.364 1.00 0.00 C ATOM 1306 O THR A 88 -13.446 -1.087 -6.522 1.00 0.00 O ATOM 1307 CB THR A 88 -15.945 -2.320 -8.289 1.00 0.00 C ATOM 1308 OG1 THR A 88 -14.727 -2.674 -8.930 1.00 0.00 O ATOM 1309 CG2 THR A 88 -16.983 -1.923 -9.340 1.00 0.00 C ATOM 0 H THR A 88 -14.784 -0.143 -8.994 1.00 0.00 H new ATOM 0 HA THR A 88 -16.613 -0.926 -6.792 1.00 0.00 H new ATOM 0 HB THR A 88 -16.316 -3.173 -7.720 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.883 -3.429 -9.535 1.00 0.00 H new ATOM 0 HG21 THR A 88 -17.158 -2.762 -10.013 1.00 0.00 H new ATOM 0 HG22 THR A 88 -17.916 -1.653 -8.846 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.615 -1.071 -9.911 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.890 -2.258 -5.349 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.855 -2.643 -4.345 1.00 0.00 C ATOM 1319 C LYS A 89 -13.170 -3.937 -4.792 1.00 0.00 C ATOM 1320 O LYS A 89 -13.745 -4.738 -5.502 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.528 -2.861 -2.989 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.119 -1.538 -2.491 1.00 0.00 C ATOM 1323 CD LYS A 89 -15.800 -1.745 -1.127 1.00 0.00 C ATOM 1324 CE LYS A 89 -14.760 -1.721 -0.002 1.00 0.00 C ATOM 1325 NZ LYS A 89 -15.458 -1.704 1.314 1.00 0.00 N ATOM 0 H LYS A 89 -15.823 -2.631 -5.170 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.111 -1.851 -4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.314 -3.611 -3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.804 -3.241 -2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.332 -0.789 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.842 -1.158 -3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.542 -0.964 -0.962 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -16.332 -2.697 -1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.112 -2.595 -0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.122 -0.843 -0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.755 -1.688 2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.059 -0.857 1.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.049 -2.555 1.405 1.00 0.00 H new ATOM 1339 N ILE A 90 -11.937 -4.139 -4.389 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.187 -5.373 -4.793 1.00 0.00 C ATOM 1341 C ILE A 90 -10.564 -6.041 -3.564 1.00 0.00 C ATOM 1342 O ILE A 90 -10.399 -5.432 -2.525 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.091 -4.986 -5.788 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.207 -3.885 -5.190 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.739 -4.473 -7.074 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -7.982 -3.676 -6.082 1.00 0.00 C ATOM 0 H ILE A 90 -11.414 -3.497 -3.793 1.00 0.00 H new ATOM 0 HA ILE A 90 -11.875 -6.079 -5.258 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.476 -5.859 -6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.771 -2.956 -5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.894 -4.161 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.963 -4.196 -7.787 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.364 -5.256 -7.504 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.353 -3.601 -6.849 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.353 -2.894 -5.658 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.414 -4.604 -6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.305 -3.381 -7.080 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.223 -7.297 -3.679 1.00 0.00 N ATOM 1359 CA GLU A 91 -9.619 -8.026 -2.527 1.00 0.00 C ATOM 1360 C GLU A 91 -8.283 -7.384 -2.150 1.00 0.00 C ATOM 1361 O GLU A 91 -7.526 -6.957 -2.999 1.00 0.00 O ATOM 1362 CB GLU A 91 -9.384 -9.485 -2.923 1.00 0.00 C ATOM 1363 CG GLU A 91 -10.726 -10.161 -3.211 1.00 0.00 C ATOM 1364 CD GLU A 91 -10.487 -11.619 -3.607 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -9.334 -12.018 -3.653 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -11.459 -12.312 -3.855 1.00 0.00 O ATOM 0 H GLU A 91 -10.338 -7.852 -4.527 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.295 -7.977 -1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.744 -9.535 -3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.865 -10.011 -2.122 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.366 -10.112 -2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.246 -9.636 -4.012 1.00 0.00 H new ATOM 1373 N VAL A 92 -7.986 -7.310 -0.879 1.00 0.00 N ATOM 1374 CA VAL A 92 -6.698 -6.693 -0.452 1.00 0.00 C ATOM 1375 C VAL A 92 -5.524 -7.459 -1.079 1.00 0.00 C ATOM 1376 O VAL A 92 -4.550 -6.873 -1.507 1.00 0.00 O ATOM 1377 CB VAL A 92 -6.596 -6.739 1.080 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.182 -6.342 1.522 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -7.612 -5.760 1.690 1.00 0.00 C ATOM 0 H VAL A 92 -8.578 -7.649 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.662 -5.656 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.809 -7.752 1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.117 -6.377 2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.459 -7.035 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.964 -5.331 1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.540 -5.792 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.398 -4.750 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.619 -6.043 1.384 1.00 0.00 H new ATOM 1389 N ALA A 93 -5.604 -8.760 -1.138 1.00 0.00 N ATOM 1390 CA ALA A 93 -4.485 -9.544 -1.739 1.00 0.00 C ATOM 1391 C ALA A 93 -4.190 -9.025 -3.149 1.00 0.00 C ATOM 1392 O ALA A 93 -3.049 -8.902 -3.551 1.00 0.00 O ATOM 1393 CB ALA A 93 -4.876 -11.021 -1.816 1.00 0.00 C ATOM 0 H ALA A 93 -6.391 -9.313 -0.798 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.597 -9.433 -1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.058 -11.592 -2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.082 -11.395 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -5.767 -11.130 -2.434 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.210 -8.718 -3.904 1.00 0.00 N ATOM 1400 CA GLN A 94 -4.986 -8.211 -5.288 1.00 0.00 C ATOM 1401 C GLN A 94 -4.514 -6.759 -5.213 1.00 0.00 C ATOM 1402 O GLN A 94 -3.735 -6.305 -6.027 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.295 -8.291 -6.079 1.00 0.00 C ATOM 1404 CG GLN A 94 -6.048 -7.855 -7.526 1.00 0.00 C ATOM 1405 CD GLN A 94 -7.358 -7.935 -8.315 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -8.412 -7.617 -7.800 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -7.336 -8.344 -9.555 1.00 0.00 N ATOM 0 H GLN A 94 -6.187 -8.796 -3.623 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.230 -8.816 -5.788 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.684 -9.309 -6.057 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.049 -7.652 -5.620 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.659 -6.837 -7.549 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.295 -8.494 -7.986 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.452 -8.611 -9.988 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.203 -8.396 -10.090 1.00 0.00 H new ATOM 1416 N PHE A 95 -4.973 -6.032 -4.235 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.546 -4.613 -4.092 1.00 0.00 C ATOM 1418 C PHE A 95 -3.029 -4.563 -3.914 1.00 0.00 C ATOM 1419 O PHE A 95 -2.339 -3.815 -4.578 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.217 -4.013 -2.855 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.697 -2.618 -2.611 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.520 -2.435 -1.876 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.389 -1.511 -3.114 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.034 -1.145 -1.644 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -4.903 -0.220 -2.880 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.725 -0.037 -2.145 1.00 0.00 C ATOM 0 H PHE A 95 -5.628 -6.360 -3.525 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.832 -4.048 -4.979 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.298 -3.988 -2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.022 -4.640 -1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.987 -3.291 -1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.297 -1.653 -3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.125 -1.004 -1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.437 0.636 -3.266 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.350 0.960 -1.965 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.507 -5.351 -3.016 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.036 -5.348 -2.788 1.00 0.00 C ATOM 1438 C VAL A 96 -0.313 -5.760 -4.070 1.00 0.00 C ATOM 1439 O VAL A 96 0.677 -5.170 -4.452 1.00 0.00 O ATOM 1440 CB VAL A 96 -0.689 -6.344 -1.682 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.830 -6.397 -1.505 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -1.344 -5.907 -0.372 1.00 0.00 C ATOM 0 H VAL A 96 -3.036 -5.997 -2.430 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.723 -4.345 -2.497 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.058 -7.333 -1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.080 -7.107 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.294 -6.714 -2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.199 -5.408 -1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.095 -6.619 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.979 -4.918 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.426 -5.872 -0.500 1.00 0.00 H new ATOM 1452 N LYS A 97 -0.791 -6.778 -4.731 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.115 -7.230 -5.979 1.00 0.00 C ATOM 1454 C LYS A 97 -0.108 -6.094 -7.006 1.00 0.00 C ATOM 1455 O LYS A 97 0.910 -5.782 -7.592 1.00 0.00 O ATOM 1456 CB LYS A 97 -0.868 -8.428 -6.557 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.669 -9.645 -5.652 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.424 -10.840 -6.235 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.233 -12.061 -5.336 1.00 0.00 C ATOM 1460 NZ LYS A 97 -1.966 -11.858 -4.054 1.00 0.00 N ATOM 0 H LYS A 97 -1.616 -7.314 -4.463 1.00 0.00 H new ATOM 0 HA LYS A 97 0.912 -7.515 -5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.930 -8.196 -6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.507 -8.647 -7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.392 -9.878 -5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.030 -9.428 -4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.485 -10.604 -6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.061 -11.056 -7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.600 -12.956 -5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.172 -12.218 -5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.297 -11.909 -3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.425 -10.925 -4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.689 -12.598 -3.946 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.232 -5.468 -7.228 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.273 -4.359 -8.222 1.00 0.00 C ATOM 1476 C ASP A 98 -0.306 -3.261 -7.786 1.00 0.00 C ATOM 1477 O ASP A 98 0.412 -2.695 -8.586 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.694 -3.793 -8.293 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.615 -4.820 -8.955 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -3.104 -5.679 -9.656 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.814 -4.731 -8.750 1.00 0.00 O ATOM 0 H ASP A 98 -2.118 -5.675 -6.767 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.984 -4.732 -9.204 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.054 -3.557 -7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.699 -2.863 -8.861 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.273 -2.966 -6.519 1.00 0.00 N ATOM 1487 CA LEU A 99 0.655 -1.918 -6.020 1.00 0.00 C ATOM 1488 C LEU A 99 2.101 -2.406 -6.188 1.00 0.00 C ATOM 1489 O LEU A 99 3.003 -1.635 -6.447 1.00 0.00 O ATOM 1490 CB LEU A 99 0.355 -1.639 -4.540 1.00 0.00 C ATOM 1491 CG LEU A 99 1.299 -0.558 -3.992 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.074 0.772 -4.731 1.00 0.00 C ATOM 1493 CD2 LEU A 99 1.023 -0.366 -2.497 1.00 0.00 C ATOM 0 H LEU A 99 -0.852 -3.408 -5.805 1.00 0.00 H new ATOM 0 HA LEU A 99 0.521 -0.997 -6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.680 -1.317 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.468 -2.556 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 99 2.332 -0.872 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.750 1.529 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.270 0.635 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.043 1.096 -4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.689 0.400 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.012 -0.056 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.196 -1.305 -1.972 1.00 0.00 H new ATOM 1505 N LEU A 100 2.325 -3.684 -6.018 1.00 0.00 N ATOM 1506 CA LEU A 100 3.708 -4.241 -6.132 1.00 0.00 C ATOM 1507 C LEU A 100 4.330 -3.905 -7.493 1.00 0.00 C ATOM 1508 O LEU A 100 5.507 -3.595 -7.578 1.00 0.00 O ATOM 1509 CB LEU A 100 3.645 -5.765 -5.953 1.00 0.00 C ATOM 1510 CG LEU A 100 5.045 -6.386 -6.063 1.00 0.00 C ATOM 1511 CD1 LEU A 100 5.976 -5.794 -4.992 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.926 -7.901 -5.860 1.00 0.00 C ATOM 0 H LEU A 100 1.603 -4.372 -5.803 1.00 0.00 H new ATOM 0 HA LEU A 100 4.332 -3.794 -5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.212 -6.004 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.990 -6.198 -6.709 1.00 0.00 H new ATOM 0 HG LEU A 100 5.464 -6.169 -7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.965 -6.243 -5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.053 -4.716 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.571 -6.003 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.913 -8.357 -5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.507 -8.104 -4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.273 -8.321 -6.626 1.00 0.00 H new ATOM 1524 N LEU A 101 3.578 -3.966 -8.560 1.00 0.00 N ATOM 1525 CA LEU A 101 4.190 -3.651 -9.889 1.00 0.00 C ATOM 1526 C LEU A 101 4.728 -2.218 -9.871 1.00 0.00 C ATOM 1527 O LEU A 101 5.809 -1.948 -10.355 1.00 0.00 O ATOM 1528 CB LEU A 101 3.144 -3.762 -11.014 1.00 0.00 C ATOM 1529 CG LEU A 101 2.724 -5.226 -11.273 1.00 0.00 C ATOM 1530 CD1 LEU A 101 3.948 -6.115 -11.547 1.00 0.00 C ATOM 1531 CD2 LEU A 101 1.948 -5.765 -10.067 1.00 0.00 C ATOM 0 H LEU A 101 2.589 -4.214 -8.574 1.00 0.00 H new ATOM 0 HA LEU A 101 4.994 -4.364 -10.074 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.265 -3.174 -10.751 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.551 -3.334 -11.930 1.00 0.00 H new ATOM 0 HG LEU A 101 2.085 -5.246 -12.156 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.621 -7.139 -11.726 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.477 -5.745 -12.425 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.615 -6.092 -10.685 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.654 -6.798 -10.255 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.580 -5.723 -9.180 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.057 -5.158 -9.907 1.00 0.00 H new ATOM 1543 N HIS A 102 3.988 -1.298 -9.323 1.00 0.00 N ATOM 1544 CA HIS A 102 4.464 0.114 -9.286 1.00 0.00 C ATOM 1545 C HIS A 102 5.646 0.272 -8.316 1.00 0.00 C ATOM 1546 O HIS A 102 6.565 1.017 -8.576 1.00 0.00 O ATOM 1547 CB HIS A 102 3.317 1.039 -8.855 1.00 0.00 C ATOM 1548 CG HIS A 102 2.394 1.291 -10.017 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.476 2.439 -10.792 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.364 0.558 -10.542 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.516 2.364 -11.732 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.809 1.235 -11.626 1.00 0.00 N ATOM 0 H HIS A 102 3.075 -1.460 -8.899 1.00 0.00 H new ATOM 0 HA HIS A 102 4.800 0.387 -10.286 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.764 0.587 -8.032 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.719 1.983 -8.488 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.032 -0.401 -10.172 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.339 3.123 -12.480 1.00 0.00 H new ATOM 0 HE2 HIS A 102 0.031 0.934 -12.212 1.00 0.00 H new ATOM 1560 N LEU A 103 5.630 -0.388 -7.189 1.00 0.00 N ATOM 1561 CA LEU A 103 6.758 -0.206 -6.224 1.00 0.00 C ATOM 1562 C LEU A 103 8.096 -0.497 -6.904 1.00 0.00 C ATOM 1563 O LEU A 103 8.970 0.345 -6.938 1.00 0.00 O ATOM 1564 CB LEU A 103 6.596 -1.155 -5.031 1.00 0.00 C ATOM 1565 CG LEU A 103 5.350 -0.779 -4.216 1.00 0.00 C ATOM 1566 CD1 LEU A 103 5.133 -1.819 -3.106 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.522 0.618 -3.584 1.00 0.00 C ATOM 0 H LEU A 103 4.899 -1.036 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 103 6.741 0.827 -5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.511 -2.183 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.481 -1.108 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 103 4.486 -0.761 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.249 -1.554 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.992 -2.803 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.004 -1.839 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.630 0.870 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.390 0.615 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.668 1.358 -4.371 1.00 0.00 H new ATOM 1579 N LYS A 104 8.282 -1.669 -7.442 1.00 0.00 N ATOM 1580 CA LYS A 104 9.590 -1.958 -8.099 1.00 0.00 C ATOM 1581 C LYS A 104 9.763 -1.084 -9.347 1.00 0.00 C ATOM 1582 O LYS A 104 10.862 -0.891 -9.828 1.00 0.00 O ATOM 1583 CB LYS A 104 9.687 -3.442 -8.469 1.00 0.00 C ATOM 1584 CG LYS A 104 8.470 -3.871 -9.287 1.00 0.00 C ATOM 1585 CD LYS A 104 8.608 -5.357 -9.634 1.00 0.00 C ATOM 1586 CE LYS A 104 7.402 -5.819 -10.453 1.00 0.00 C ATOM 1587 NZ LYS A 104 7.749 -7.072 -11.183 1.00 0.00 N ATOM 0 H LYS A 104 7.601 -2.428 -7.457 1.00 0.00 H new ATOM 0 HA LYS A 104 10.390 -1.724 -7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.598 -3.622 -9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.755 -4.045 -7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.555 -3.699 -8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.398 -3.276 -10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.526 -5.523 -10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.684 -5.946 -8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.548 -5.992 -9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.110 -5.042 -11.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.930 -7.387 -11.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.552 -6.892 -11.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.008 -7.812 -10.499 1.00 0.00 H new ATOM 1601 N LYS A 105 8.692 -0.561 -9.882 1.00 0.00 N ATOM 1602 CA LYS A 105 8.808 0.290 -11.106 1.00 0.00 C ATOM 1603 C LYS A 105 9.563 1.591 -10.791 1.00 0.00 C ATOM 1604 O LYS A 105 10.469 1.973 -11.505 1.00 0.00 O ATOM 1605 CB LYS A 105 7.404 0.620 -11.620 1.00 0.00 C ATOM 1606 CG LYS A 105 7.498 1.416 -12.923 1.00 0.00 C ATOM 1607 CD LYS A 105 6.087 1.714 -13.433 1.00 0.00 C ATOM 1608 CE LYS A 105 6.172 2.511 -14.735 1.00 0.00 C ATOM 1609 NZ LYS A 105 6.954 1.739 -15.741 1.00 0.00 N ATOM 0 H LYS A 105 7.744 -0.685 -9.527 1.00 0.00 H new ATOM 0 HA LYS A 105 9.365 -0.256 -11.867 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.843 -0.300 -11.786 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.859 1.195 -10.871 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.041 2.346 -12.757 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.056 0.850 -13.669 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.545 0.783 -13.599 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.530 2.278 -12.685 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.171 2.714 -15.115 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.646 3.476 -14.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.737 2.092 -16.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.970 1.853 -15.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.701 0.732 -15.679 1.00 0.00 H new ATOM 1623 N LEU A 106 9.204 2.277 -9.736 1.00 0.00 N ATOM 1624 CA LEU A 106 9.919 3.550 -9.401 1.00 0.00 C ATOM 1625 C LEU A 106 11.394 3.246 -9.129 1.00 0.00 C ATOM 1626 O LEU A 106 12.255 4.080 -9.324 1.00 0.00 O ATOM 1627 CB LEU A 106 9.298 4.213 -8.153 1.00 0.00 C ATOM 1628 CG LEU A 106 8.029 5.020 -8.503 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.347 6.147 -9.508 1.00 0.00 C ATOM 1630 CD2 LEU A 106 6.951 4.095 -9.076 1.00 0.00 C ATOM 0 H LEU A 106 8.454 2.016 -9.096 1.00 0.00 H new ATOM 0 HA LEU A 106 9.826 4.234 -10.244 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.050 3.446 -7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.031 4.872 -7.689 1.00 0.00 H new ATOM 0 HG LEU A 106 7.657 5.475 -7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.435 6.699 -9.736 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.082 6.825 -9.074 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.749 5.715 -10.424 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.062 4.678 -9.318 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.327 3.614 -9.979 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.696 3.334 -8.339 1.00 0.00 H new ATOM 1642 N PHE A 107 11.690 2.068 -8.663 1.00 0.00 N ATOM 1643 CA PHE A 107 13.105 1.722 -8.362 1.00 0.00 C ATOM 1644 C PHE A 107 13.939 1.839 -9.638 1.00 0.00 C ATOM 1645 O PHE A 107 15.061 2.304 -9.617 1.00 0.00 O ATOM 1646 CB PHE A 107 13.187 0.292 -7.829 1.00 0.00 C ATOM 1647 CG PHE A 107 14.628 -0.029 -7.517 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.220 0.511 -6.371 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.373 -0.855 -8.369 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.555 0.229 -6.073 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.711 -1.140 -8.070 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.303 -0.597 -6.922 1.00 0.00 C ATOM 0 H PHE A 107 11.013 1.328 -8.477 1.00 0.00 H new ATOM 0 HA PHE A 107 13.491 2.408 -7.608 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.575 0.187 -6.933 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.795 -0.409 -8.566 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.644 1.147 -5.715 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.916 -1.271 -9.255 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.011 0.648 -5.188 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.287 -1.778 -8.724 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.335 -0.815 -6.692 1.00 0.00 H new ATOM 1662 N ARG A 108 13.404 1.415 -10.747 1.00 0.00 N ATOM 1663 CA ARG A 108 14.170 1.496 -12.022 1.00 0.00 C ATOM 1664 C ARG A 108 14.523 2.958 -12.319 1.00 0.00 C ATOM 1665 O ARG A 108 15.607 3.259 -12.778 1.00 0.00 O ATOM 1666 CB ARG A 108 13.321 0.930 -13.167 1.00 0.00 C ATOM 1667 CG ARG A 108 13.185 -0.587 -13.002 1.00 0.00 C ATOM 1668 CD ARG A 108 12.338 -1.159 -14.143 1.00 0.00 C ATOM 1669 NE ARG A 108 13.029 -0.934 -15.445 1.00 0.00 N ATOM 1670 CZ ARG A 108 12.655 -1.598 -16.507 1.00 0.00 C ATOM 1671 NH1 ARG A 108 11.679 -2.460 -16.427 1.00 0.00 N ATOM 1672 NH2 ARG A 108 13.258 -1.401 -17.648 1.00 0.00 N ATOM 0 H ARG A 108 12.469 1.015 -10.827 1.00 0.00 H new ATOM 0 HA ARG A 108 15.088 0.915 -11.930 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.336 1.396 -13.168 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.784 1.162 -14.126 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.171 -1.052 -13.000 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.722 -0.818 -12.042 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.174 -2.225 -13.987 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.357 -0.684 -14.154 1.00 0.00 H new ATOM 0 HE ARG A 108 13.794 -0.262 -15.507 1.00 0.00 H new ATOM 0 HH11 ARG A 108 11.208 -2.616 -15.536 1.00 0.00 H new ATOM 0 HH12 ARG A 108 11.387 -2.978 -17.256 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.022 -0.728 -17.712 1.00 0.00 H new ATOM 0 HH22 ARG A 108 12.965 -1.920 -18.476 1.00 0.00 H new ATOM 1686 N GLU A 109 13.620 3.874 -12.069 1.00 0.00 N ATOM 1687 CA GLU A 109 13.920 5.312 -12.348 1.00 0.00 C ATOM 1688 C GLU A 109 14.600 5.952 -11.131 1.00 0.00 C ATOM 1689 O GLU A 109 15.110 7.053 -11.204 1.00 0.00 O ATOM 1690 CB GLU A 109 12.617 6.054 -12.655 1.00 0.00 C ATOM 1691 CG GLU A 109 11.953 5.420 -13.880 1.00 0.00 C ATOM 1692 CD GLU A 109 10.658 6.165 -14.210 1.00 0.00 C ATOM 1693 OE1 GLU A 109 10.255 6.997 -13.414 1.00 0.00 O ATOM 1694 OE2 GLU A 109 10.096 5.897 -15.259 1.00 0.00 O ATOM 0 H GLU A 109 12.693 3.689 -11.686 1.00 0.00 H new ATOM 0 HA GLU A 109 14.590 5.378 -13.206 1.00 0.00 H new ATOM 0 HB2 GLU A 109 11.946 6.006 -11.797 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.820 7.108 -12.842 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.631 5.456 -14.732 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.740 4.369 -13.686 1.00 0.00 H new ATOM 1701 N GLY A 110 14.621 5.272 -10.015 1.00 0.00 N ATOM 1702 CA GLY A 110 15.277 5.839 -8.803 1.00 0.00 C ATOM 1703 C GLY A 110 14.492 7.055 -8.304 1.00 0.00 C ATOM 1704 O GLY A 110 14.934 7.770 -7.426 1.00 0.00 O ATOM 0 H GLY A 110 14.211 4.346 -9.892 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.329 5.083 -8.020 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.302 6.128 -9.035 1.00 0.00 H new ATOM 1708 N ARG A 111 13.325 7.295 -8.846 1.00 0.00 N ATOM 1709 CA ARG A 111 12.512 8.464 -8.389 1.00 0.00 C ATOM 1710 C ARG A 111 11.537 7.985 -7.314 1.00 0.00 C ATOM 1711 O ARG A 111 10.468 7.488 -7.604 1.00 0.00 O ATOM 1712 CB ARG A 111 11.724 9.034 -9.570 1.00 0.00 C ATOM 1713 CG ARG A 111 12.690 9.635 -10.597 1.00 0.00 C ATOM 1714 CD ARG A 111 11.890 10.202 -11.774 1.00 0.00 C ATOM 1715 NE ARG A 111 12.778 10.332 -12.977 1.00 0.00 N ATOM 1716 CZ ARG A 111 13.894 11.009 -12.936 1.00 0.00 C ATOM 1717 NH1 ARG A 111 14.189 11.741 -11.896 1.00 0.00 N ATOM 1718 NH2 ARG A 111 14.695 10.995 -13.966 1.00 0.00 N ATOM 0 H ARG A 111 12.900 6.733 -9.584 1.00 0.00 H new ATOM 0 HA ARG A 111 13.165 9.239 -7.988 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.128 8.248 -10.034 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.029 9.797 -9.221 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.286 10.422 -10.135 1.00 0.00 H new ATOM 0 HG3 ARG A 111 13.385 8.873 -10.949 1.00 0.00 H new ATOM 0 HD2 ARG A 111 11.048 9.549 -12.001 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.476 11.175 -11.509 1.00 0.00 H new ATOM 0 HE ARG A 111 12.503 9.880 -13.849 1.00 0.00 H new ATOM 0 HH11 ARG A 111 13.545 11.788 -11.106 1.00 0.00 H new ATOM 0 HH12 ARG A 111 15.063 12.266 -11.873 1.00 0.00 H new ATOM 0 HH21 ARG A 111 14.448 10.457 -14.797 1.00 0.00 H new ATOM 0 HH22 ARG A 111 15.568 11.522 -13.940 1.00 0.00 H new ATOM 1732 N PHE A 112 11.913 8.113 -6.073 1.00 0.00 N ATOM 1733 CA PHE A 112 11.035 7.649 -4.960 1.00 0.00 C ATOM 1734 C PHE A 112 10.068 8.761 -4.546 1.00 0.00 C ATOM 1735 O PHE A 112 10.261 9.917 -4.864 1.00 0.00 O ATOM 1736 CB PHE A 112 11.926 7.252 -3.790 1.00 0.00 C ATOM 1737 CG PHE A 112 12.963 6.295 -4.316 1.00 0.00 C ATOM 1738 CD1 PHE A 112 12.669 4.933 -4.410 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.210 6.774 -4.736 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.621 4.046 -4.923 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.163 5.885 -5.247 1.00 0.00 C ATOM 1742 CZ PHE A 112 14.868 4.522 -5.342 1.00 0.00 C ATOM 0 H PHE A 112 12.799 8.523 -5.778 1.00 0.00 H new ATOM 0 HA PHE A 112 10.439 6.795 -5.281 1.00 0.00 H new ATOM 0 HB2 PHE A 112 12.401 8.131 -3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 112 11.337 6.784 -3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.707 4.565 -4.087 1.00 0.00 H new ATOM 0 HD2 PHE A 112 14.436 7.828 -4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.393 2.993 -4.996 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.127 6.252 -5.568 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.602 3.837 -5.739 1.00 0.00 H new ATOM 1752 N ASN A 113 9.025 8.414 -3.842 1.00 0.00 N ATOM 1753 CA ASN A 113 8.037 9.443 -3.409 1.00 0.00 C ATOM 1754 C ASN A 113 8.566 10.176 -2.174 1.00 0.00 C ATOM 1755 CB ASN A 113 6.713 8.759 -3.062 1.00 0.00 C ATOM 1756 CG ASN A 113 5.718 9.799 -2.545 1.00 0.00 C ATOM 1757 OD1 ASN A 113 5.199 9.671 -1.454 1.00 0.00 O ATOM 1758 ND2 ASN A 113 5.429 10.833 -3.287 1.00 0.00 N ATOM 1759 OXT ASN A 113 8.899 9.507 -1.210 1.00 0.00 O ATOM 0 H ASN A 113 8.814 7.460 -3.548 1.00 0.00 H new ATOM 0 HA ASN A 113 7.882 10.158 -4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.308 8.260 -3.942 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.876 7.990 -2.307 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.768 11.533 -2.951 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.864 10.941 -4.203 1.00 0.00 H new TER 1766 ASN A 113