USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 954 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 SER OG : rot 77:sc= 0.589 USER MOD Set 1.2: A 93 ASN : amide:sc= 1.5 X(o=2.1,f=1.9) USER MOD Set 2.1: A 63 LYS NZ :NH3+ -170:sc= 1.69 (180deg=0.715) USER MOD Set 2.2: A 73 SER OG : rot -87:sc= 0.624 USER MOD Set 3.1: A 45 ASN : amide:sc= -5.05! C(o=-4!,f=-5.7!) USER MOD Set 3.2: A 49 ASN : amide:sc= 1.08 K(o=-4,f=-5) USER MOD Set 4.1: A 33 HIS : no HE2:sc= 0.499 K(o=1.8,f=-10!) USER MOD Set 4.2: A 38 ASN : amide:sc= 1.29 K(o=1.8,f=-8.1!) USER MOD Set 5.1: A 22 TYR OH : rot 180:sc= 0.401 USER MOD Set 5.2: A 101 GLN : amide:sc= -0.113 K(o=2.4,f=-15!) USER MOD Set 5.3: A 104 LYS NZ :NH3+ 177:sc= 2.09 (180deg=0.976) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 0.00367 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -147:sc= 1.13 (180deg=-0.297) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -1.07 F(o=-1.6,f=-1.1) USER MOD Single : A 13 GLN :FLIP amide:sc=-0.00329 F(o=-0.52,f=-0.0033) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= 0.282 (180deg=-0.365) USER MOD Single : A 18 CYS SG : rot 82:sc= -4.88! USER MOD Single : A 20 SER OG : rot 81:sc= 1.09 USER MOD Single : A 28 THR OG1 : rot 74:sc= -3.15! USER MOD Single : A 32 SER OG : rot -163:sc= 0.582 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 104:sc= 1.25 USER MOD Single : A 42 SER OG : rot -99:sc= 0.125 USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 54 HIS : no HE2:sc= 0.305 K(o=0.3,f=-2.1!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 60 MET CE :methyl -114:sc= -2.01! (180deg=-3.57!) USER MOD Single : A 61 SER OG : rot 91:sc= 1.26 USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= 2.07 (180deg=0.891!) USER MOD Single : A 66 TYR OH : rot 150:sc= -0.141 USER MOD Single : A 79 TYR OH : rot -64:sc= 0.722 USER MOD Single : A 83 THR OG1 : rot 78:sc= 0.904 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 87:sc= 1.28 USER MOD Single : A 88 SER OG : rot 97:sc= 1.17 USER MOD Single : A 90 TYR OH : rot 34:sc= 1.24 USER MOD Single : A 98 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.93) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 170:sc= 1.21 USER MOD Single : A 112 SER OG : rot 95:sc= 1.2 USER MOD Single : A 115 TYR OH : rot -70:sc= 1.28 USER MOD Single : A 117 SER OG : rot 180:sc= 0.135 USER MOD Single : A 118 THR OG1 : rot 39:sc= 1.14 USER MOD Single : A 120 MET CE :methyl -111:sc= -0.237 (180deg=-1.39) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.622 -26.947 -0.111 1.00 0.00 N ATOM 2 CA MET A 1 -8.540 -25.540 -0.597 1.00 0.00 C ATOM 3 C MET A 1 -9.573 -24.679 0.109 1.00 0.00 C ATOM 4 O MET A 1 -10.754 -24.677 -0.267 1.00 0.00 O ATOM 5 CB MET A 1 -8.778 -25.518 -2.111 1.00 0.00 C ATOM 6 CG MET A 1 -7.518 -25.686 -2.934 1.00 0.00 C ATOM 7 SD MET A 1 -7.228 -27.392 -3.409 1.00 0.00 S ATOM 8 CE MET A 1 -5.584 -27.269 -4.115 1.00 0.00 C ATOM 0 H1 MET A 1 -8.270 -27.590 -0.849 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.042 -27.053 0.746 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.611 -27.181 0.109 1.00 0.00 H new ATOM 0 HA MET A 1 -7.551 -25.137 -0.378 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.478 -26.312 -2.370 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.253 -24.575 -2.380 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.589 -25.070 -3.830 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.664 -25.321 -2.363 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.261 -28.252 -4.458 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.601 -26.578 -4.958 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.890 -26.902 -3.359 1.00 0.00 H new ATOM 18 N ASP A 2 -9.144 -23.985 1.165 1.00 0.00 N ATOM 19 CA ASP A 2 -10.044 -23.151 1.964 1.00 0.00 C ATOM 20 C ASP A 2 -10.438 -21.919 1.189 1.00 0.00 C ATOM 21 O ASP A 2 -9.795 -20.850 1.308 1.00 0.00 O ATOM 22 CB ASP A 2 -9.408 -22.751 3.316 1.00 0.00 C ATOM 23 CG ASP A 2 -8.923 -23.920 4.118 1.00 0.00 C ATOM 24 OD1 ASP A 2 -9.670 -24.889 4.280 1.00 0.00 O ATOM 25 OD2 ASP A 2 -7.795 -23.869 4.599 1.00 0.00 O ATOM 0 H ASP A 2 -8.176 -23.984 1.487 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.935 -23.741 2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.572 -22.077 3.130 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.140 -22.197 3.903 1.00 0.00 H new ATOM 30 N GLU A 3 -11.466 -22.047 0.384 1.00 0.00 N ATOM 31 CA GLU A 3 -11.927 -20.949 -0.437 1.00 0.00 C ATOM 32 C GLU A 3 -12.993 -20.104 0.267 1.00 0.00 C ATOM 33 O GLU A 3 -13.930 -19.608 -0.371 1.00 0.00 O ATOM 34 CB GLU A 3 -12.402 -21.471 -1.804 1.00 0.00 C ATOM 35 CG GLU A 3 -11.310 -22.209 -2.603 1.00 0.00 C ATOM 36 CD GLU A 3 -9.930 -21.621 -2.424 1.00 0.00 C ATOM 37 OE1 GLU A 3 -9.743 -20.410 -2.687 1.00 0.00 O ATOM 38 OE2 GLU A 3 -9.029 -22.338 -2.008 1.00 0.00 O ATOM 0 H GLU A 3 -12.004 -22.907 0.279 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.085 -20.278 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.245 -22.145 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.767 -20.632 -2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.293 -23.255 -2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.570 -22.190 -3.661 1.00 0.00 H new ATOM 45 N TYR A 4 -12.797 -19.858 1.572 1.00 0.00 N ATOM 46 CA TYR A 4 -13.695 -18.990 2.324 1.00 0.00 C ATOM 47 C TYR A 4 -13.614 -17.578 1.755 1.00 0.00 C ATOM 48 O TYR A 4 -14.613 -17.036 1.280 1.00 0.00 O ATOM 49 CB TYR A 4 -13.346 -18.990 3.826 1.00 0.00 C ATOM 50 CG TYR A 4 -14.261 -18.121 4.655 1.00 0.00 C ATOM 51 CD1 TYR A 4 -15.552 -18.528 4.951 1.00 0.00 C ATOM 52 CD2 TYR A 4 -13.840 -16.881 5.121 1.00 0.00 C ATOM 53 CE1 TYR A 4 -16.395 -17.732 5.691 1.00 0.00 C ATOM 54 CE2 TYR A 4 -14.681 -16.080 5.857 1.00 0.00 C ATOM 55 CZ TYR A 4 -15.957 -16.511 6.139 1.00 0.00 C ATOM 56 OH TYR A 4 -16.805 -15.710 6.861 1.00 0.00 O ATOM 0 H TYR A 4 -12.029 -20.248 2.118 1.00 0.00 H new ATOM 0 HA TYR A 4 -14.713 -19.366 2.227 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -13.390 -20.012 4.201 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -12.319 -18.648 3.953 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -15.902 -19.486 4.595 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -12.838 -16.542 4.902 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -17.397 -18.066 5.918 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -14.342 -15.118 6.212 1.00 0.00 H new ATOM 0 HH TYR A 4 -16.343 -14.881 7.105 1.00 0.00 H new ATOM 66 N SER A 5 -12.411 -17.014 1.747 1.00 0.00 N ATOM 67 CA SER A 5 -12.176 -15.695 1.160 1.00 0.00 C ATOM 68 C SER A 5 -11.746 -15.857 -0.308 1.00 0.00 C ATOM 69 O SER A 5 -11.047 -16.837 -0.644 1.00 0.00 O ATOM 70 CB SER A 5 -11.098 -14.931 1.952 1.00 0.00 C ATOM 71 OG SER A 5 -10.986 -15.425 3.299 1.00 0.00 O ATOM 0 H SER A 5 -11.578 -17.451 2.142 1.00 0.00 H new ATOM 0 HA SER A 5 -13.100 -15.118 1.204 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.137 -15.027 1.447 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.343 -13.869 1.972 1.00 0.00 H new ATOM 0 HG SER A 5 -10.293 -14.922 3.775 1.00 0.00 H new ATOM 77 N PRO A 6 -12.150 -14.926 -1.207 1.00 0.00 N ATOM 78 CA PRO A 6 -11.796 -15.004 -2.623 1.00 0.00 C ATOM 79 C PRO A 6 -10.374 -14.494 -2.881 1.00 0.00 C ATOM 80 O PRO A 6 -10.052 -13.344 -2.533 1.00 0.00 O ATOM 81 CB PRO A 6 -12.830 -14.100 -3.314 1.00 0.00 C ATOM 82 CG PRO A 6 -13.666 -13.481 -2.233 1.00 0.00 C ATOM 83 CD PRO A 6 -12.966 -13.732 -0.922 1.00 0.00 C ATOM 0 HA PRO A 6 -11.810 -16.029 -2.992 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.335 -13.331 -3.906 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.451 -14.678 -3.998 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.786 -12.411 -2.405 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.665 -13.916 -2.224 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.350 -12.884 -0.624 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.675 -13.911 -0.113 1.00 0.00 H new ATOM 91 N LYS A 7 -9.531 -15.348 -3.473 1.00 0.00 N ATOM 92 CA LYS A 7 -8.129 -14.987 -3.747 1.00 0.00 C ATOM 93 C LYS A 7 -8.027 -13.841 -4.759 1.00 0.00 C ATOM 94 O LYS A 7 -7.371 -12.848 -4.495 1.00 0.00 O ATOM 95 CB LYS A 7 -7.281 -16.205 -4.200 1.00 0.00 C ATOM 96 CG LYS A 7 -7.606 -17.550 -3.506 1.00 0.00 C ATOM 97 CD LYS A 7 -7.662 -17.437 -1.973 1.00 0.00 C ATOM 98 CE LYS A 7 -6.960 -18.619 -1.272 1.00 0.00 C ATOM 99 NZ LYS A 7 -7.258 -19.928 -1.913 1.00 0.00 N ATOM 0 H LYS A 7 -9.790 -16.289 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.712 -14.639 -2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.409 -16.333 -5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.229 -15.975 -4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.564 -17.920 -3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.852 -18.287 -3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.193 -16.503 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.703 -17.393 -1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.883 -18.452 -1.280 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.270 -18.652 -0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.275 -20.674 -1.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.184 -19.881 -2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.523 -20.146 -2.616 1.00 0.00 H new ATOM 113 N ARG A 8 -8.712 -13.951 -5.909 1.00 0.00 N ATOM 114 CA ARG A 8 -8.686 -12.846 -6.881 1.00 0.00 C ATOM 115 C ARG A 8 -9.097 -11.541 -6.207 1.00 0.00 C ATOM 116 O ARG A 8 -8.442 -10.516 -6.392 1.00 0.00 O ATOM 117 CB ARG A 8 -9.561 -13.106 -8.118 1.00 0.00 C ATOM 118 CG ARG A 8 -9.464 -11.979 -9.148 1.00 0.00 C ATOM 119 CD ARG A 8 -10.397 -12.182 -10.320 1.00 0.00 C ATOM 120 NE ARG A 8 -9.703 -12.721 -11.514 1.00 0.00 N ATOM 121 CZ ARG A 8 -9.755 -14.012 -11.928 1.00 0.00 C ATOM 122 NH1 ARG A 8 -10.447 -14.906 -11.229 1.00 0.00 N ATOM 123 NH2 ARG A 8 -9.118 -14.387 -13.036 1.00 0.00 N ATOM 0 H ARG A 8 -9.270 -14.760 -6.182 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.659 -12.769 -7.238 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.260 -14.045 -8.582 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.599 -13.222 -7.807 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.694 -11.029 -8.665 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.439 -11.911 -9.512 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.196 -12.864 -10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.866 -11.232 -10.575 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.143 -12.071 -12.067 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.939 -14.621 -10.382 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.486 -15.877 -11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.589 -13.703 -13.576 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.159 -15.358 -13.344 1.00 0.00 H new ATOM 137 N HIS A 9 -10.157 -11.604 -5.389 1.00 0.00 N ATOM 138 CA HIS A 9 -10.641 -10.437 -4.644 1.00 0.00 C ATOM 139 C HIS A 9 -9.567 -9.916 -3.707 1.00 0.00 C ATOM 140 O HIS A 9 -9.282 -8.722 -3.696 1.00 0.00 O ATOM 141 CB HIS A 9 -11.892 -10.770 -3.818 1.00 0.00 C ATOM 142 CG HIS A 9 -13.137 -10.973 -4.624 1.00 0.00 C ATOM 143 ND1 HIS A 9 -13.406 -11.819 -5.639 1.00 0.00 N flip ATOM 144 CD2 HIS A 9 -14.297 -10.275 -4.397 1.00 0.00 C flip ATOM 145 CE1 HIS A 9 -14.712 -11.623 -6.002 1.00 0.00 C flip ATOM 146 NE2 HIS A 9 -15.228 -10.684 -5.237 1.00 0.00 N flip ATOM 0 H HIS A 9 -10.696 -12.455 -5.227 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.895 -9.675 -5.381 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.699 -11.673 -3.239 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.065 -9.965 -3.104 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -14.427 -9.509 -3.647 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.233 -12.152 -6.787 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -16.184 -10.333 -5.286 1.00 0.00 H new ATOM 155 N ASP A 10 -8.985 -10.812 -2.897 1.00 0.00 N ATOM 156 CA ASP A 10 -7.957 -10.406 -1.937 1.00 0.00 C ATOM 157 C ASP A 10 -6.696 -9.873 -2.650 1.00 0.00 C ATOM 158 O ASP A 10 -6.219 -8.774 -2.334 1.00 0.00 O ATOM 159 CB ASP A 10 -7.703 -11.513 -0.853 1.00 0.00 C ATOM 160 CG ASP A 10 -6.415 -12.290 -0.959 1.00 0.00 C ATOM 161 OD1 ASP A 10 -6.140 -12.869 -2.007 1.00 0.00 O ATOM 162 OD2 ASP A 10 -5.692 -12.374 0.053 1.00 0.00 O ATOM 0 H ASP A 10 -9.206 -11.808 -2.889 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.327 -9.554 -1.366 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.734 -11.040 0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.531 -12.221 -0.891 1.00 0.00 H new ATOM 167 N VAL A 11 -6.245 -10.568 -3.693 1.00 0.00 N ATOM 168 CA VAL A 11 -5.144 -10.086 -4.527 1.00 0.00 C ATOM 169 C VAL A 11 -5.508 -8.723 -5.149 1.00 0.00 C ATOM 170 O VAL A 11 -4.763 -7.738 -4.977 1.00 0.00 O ATOM 171 CB VAL A 11 -4.759 -11.115 -5.637 1.00 0.00 C ATOM 172 CG1 VAL A 11 -3.549 -10.641 -6.426 1.00 0.00 C ATOM 173 CG2 VAL A 11 -4.471 -12.484 -5.026 1.00 0.00 C ATOM 0 H VAL A 11 -6.626 -11.469 -3.982 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.270 -9.963 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.607 -11.200 -6.317 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.303 -11.377 -7.192 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.775 -9.686 -6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.700 -10.521 -5.753 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.205 -13.186 -5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.644 -12.401 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.358 -12.844 -4.505 1.00 0.00 H new ATOM 183 N ALA A 12 -6.676 -8.645 -5.816 1.00 0.00 N ATOM 184 CA ALA A 12 -7.150 -7.376 -6.395 1.00 0.00 C ATOM 185 C ALA A 12 -7.194 -6.298 -5.318 1.00 0.00 C ATOM 186 O ALA A 12 -6.652 -5.207 -5.504 1.00 0.00 O ATOM 187 CB ALA A 12 -8.522 -7.534 -7.049 1.00 0.00 C ATOM 0 H ALA A 12 -7.301 -9.437 -5.965 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.448 -7.077 -7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.839 -6.578 -7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.462 -8.275 -7.847 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.245 -7.863 -6.303 1.00 0.00 H new ATOM 193 N GLN A 13 -7.782 -6.636 -4.163 1.00 0.00 N ATOM 194 CA GLN A 13 -7.822 -5.724 -3.017 1.00 0.00 C ATOM 195 C GLN A 13 -6.423 -5.225 -2.701 1.00 0.00 C ATOM 196 O GLN A 13 -6.220 -4.038 -2.559 1.00 0.00 O ATOM 197 CB GLN A 13 -8.375 -6.419 -1.773 1.00 0.00 C ATOM 198 CG GLN A 13 -9.888 -6.478 -1.689 1.00 0.00 C ATOM 199 CD GLN A 13 -10.353 -7.360 -0.550 1.00 0.00 C ATOM 200 OE1 GLN A 13 -9.748 -7.213 0.616 1.00 0.00 O flip ATOM 201 NE2 GLN A 13 -11.253 -8.178 -0.716 1.00 0.00 N flip ATOM 0 H GLN A 13 -8.236 -7.535 -3.999 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.474 -4.892 -3.283 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.985 -7.436 -1.740 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.997 -5.904 -0.890 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.284 -5.472 -1.555 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.290 -6.856 -2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.700 -8.267 -1.629 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.554 -8.769 0.059 1.00 0.00 H new ATOM 210 N LEU A 14 -5.464 -6.157 -2.588 1.00 0.00 N ATOM 211 CA LEU A 14 -4.073 -5.808 -2.275 1.00 0.00 C ATOM 212 C LEU A 14 -3.572 -4.689 -3.177 1.00 0.00 C ATOM 213 O LEU A 14 -3.121 -3.641 -2.683 1.00 0.00 O ATOM 214 CB LEU A 14 -3.154 -7.032 -2.396 1.00 0.00 C ATOM 215 CG LEU A 14 -1.769 -6.919 -1.749 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.864 -6.436 -0.310 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.069 -8.253 -1.809 1.00 0.00 C ATOM 0 H LEU A 14 -5.628 -7.156 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.050 -5.458 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.667 -7.887 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.018 -7.252 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.192 -6.181 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.864 -6.368 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.337 -5.454 -0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.460 -7.140 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.085 -8.169 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.658 -8.997 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.957 -8.559 -2.849 1.00 0.00 H new ATOM 229 N LYS A 15 -3.664 -4.895 -4.500 1.00 0.00 N ATOM 230 CA LYS A 15 -3.221 -3.866 -5.438 1.00 0.00 C ATOM 231 C LYS A 15 -4.072 -2.619 -5.317 1.00 0.00 C ATOM 232 O LYS A 15 -3.545 -1.529 -5.101 1.00 0.00 O ATOM 233 CB LYS A 15 -3.157 -4.346 -6.915 1.00 0.00 C ATOM 234 CG LYS A 15 -4.349 -5.171 -7.429 1.00 0.00 C ATOM 235 CD LYS A 15 -5.425 -4.291 -8.091 1.00 0.00 C ATOM 236 CE LYS A 15 -5.145 -4.041 -9.571 1.00 0.00 C ATOM 237 NZ LYS A 15 -3.952 -3.181 -9.774 1.00 0.00 N ATOM 0 H LYS A 15 -4.032 -5.743 -4.931 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.196 -3.630 -5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.051 -3.469 -7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.253 -4.942 -7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.994 -5.910 -8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.792 -5.721 -6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.398 -4.770 -7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.481 -3.336 -7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.995 -4.994 -10.078 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.014 -3.569 -10.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.976 -2.774 -10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.953 -2.414 -9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.090 -3.752 -9.663 1.00 0.00 H new ATOM 251 N PHE A 16 -5.397 -2.788 -5.411 1.00 0.00 N ATOM 252 CA PHE A 16 -6.321 -1.665 -5.311 1.00 0.00 C ATOM 253 C PHE A 16 -6.087 -0.868 -4.043 1.00 0.00 C ATOM 254 O PHE A 16 -5.942 0.346 -4.111 1.00 0.00 O ATOM 255 CB PHE A 16 -7.790 -2.116 -5.428 1.00 0.00 C ATOM 256 CG PHE A 16 -8.170 -2.604 -6.812 1.00 0.00 C ATOM 257 CD1 PHE A 16 -7.760 -1.916 -7.950 1.00 0.00 C ATOM 258 CD2 PHE A 16 -8.926 -3.754 -6.973 1.00 0.00 C ATOM 259 CE1 PHE A 16 -8.097 -2.366 -9.210 1.00 0.00 C ATOM 260 CE2 PHE A 16 -9.263 -4.209 -8.234 1.00 0.00 C ATOM 261 CZ PHE A 16 -8.847 -3.512 -9.352 1.00 0.00 C ATOM 0 H PHE A 16 -5.847 -3.692 -5.556 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.119 -1.008 -6.157 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -7.974 -2.913 -4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.439 -1.284 -5.155 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.170 -1.018 -7.845 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.256 -4.302 -6.103 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -7.773 -1.820 -10.084 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.851 -5.108 -8.345 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.110 -3.866 -10.338 1.00 0.00 H new ATOM 271 N LEU A 17 -5.996 -1.542 -2.904 1.00 0.00 N ATOM 272 CA LEU A 17 -5.718 -0.873 -1.632 1.00 0.00 C ATOM 273 C LEU A 17 -4.422 -0.069 -1.719 1.00 0.00 C ATOM 274 O LEU A 17 -4.380 1.097 -1.324 1.00 0.00 O ATOM 275 CB LEU A 17 -5.603 -1.892 -0.486 1.00 0.00 C ATOM 276 CG LEU A 17 -6.917 -2.507 0.016 1.00 0.00 C ATOM 277 CD1 LEU A 17 -6.656 -3.798 0.772 1.00 0.00 C ATOM 278 CD2 LEU A 17 -7.672 -1.526 0.898 1.00 0.00 C ATOM 0 H LEU A 17 -6.110 -2.553 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.550 -0.200 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.950 -2.701 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.110 -1.405 0.356 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.532 -2.734 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.602 -4.215 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.164 -4.513 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.014 -3.594 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.599 -1.985 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.057 -1.263 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.902 -0.626 0.327 1.00 0.00 H new ATOM 290 N CYS A 18 -3.361 -0.694 -2.239 1.00 0.00 N ATOM 291 CA CYS A 18 -2.060 -0.028 -2.351 1.00 0.00 C ATOM 292 C CYS A 18 -2.078 1.078 -3.395 1.00 0.00 C ATOM 293 O CYS A 18 -1.605 2.191 -3.134 1.00 0.00 O ATOM 294 CB CYS A 18 -0.951 -1.034 -2.669 1.00 0.00 C ATOM 295 SG CYS A 18 -0.643 -2.228 -1.351 1.00 0.00 S ATOM 0 H CYS A 18 -3.377 -1.653 -2.587 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.853 0.427 -1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.214 -1.573 -3.579 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.029 -0.490 -2.875 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.514 -3.190 -1.424 1.00 0.00 H new ATOM 301 N GLU A 19 -2.598 0.775 -4.580 1.00 0.00 N ATOM 302 CA GLU A 19 -2.637 1.748 -5.655 1.00 0.00 C ATOM 303 C GLU A 19 -3.585 2.906 -5.327 1.00 0.00 C ATOM 304 O GLU A 19 -3.212 4.074 -5.490 1.00 0.00 O ATOM 305 CB GLU A 19 -2.926 1.077 -7.021 1.00 0.00 C ATOM 306 CG GLU A 19 -4.363 1.099 -7.488 1.00 0.00 C ATOM 307 CD GLU A 19 -4.571 0.232 -8.675 1.00 0.00 C ATOM 308 OE1 GLU A 19 -4.600 -0.982 -8.534 1.00 0.00 O ATOM 309 OE2 GLU A 19 -4.681 0.765 -9.766 1.00 0.00 O ATOM 0 H GLU A 19 -2.996 -0.134 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.646 2.191 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.313 1.565 -7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.600 0.038 -6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.013 0.768 -6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.651 2.122 -7.730 1.00 0.00 H new ATOM 316 N SER A 20 -4.766 2.595 -4.784 1.00 0.00 N ATOM 317 CA SER A 20 -5.691 3.640 -4.346 1.00 0.00 C ATOM 318 C SER A 20 -5.041 4.456 -3.235 1.00 0.00 C ATOM 319 O SER A 20 -5.058 5.685 -3.284 1.00 0.00 O ATOM 320 CB SER A 20 -7.027 3.052 -3.880 1.00 0.00 C ATOM 321 OG SER A 20 -7.536 2.129 -4.845 1.00 0.00 O ATOM 0 H SER A 20 -5.099 1.642 -4.639 1.00 0.00 H new ATOM 0 HA SER A 20 -5.907 4.290 -5.194 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.894 2.549 -2.922 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.748 3.854 -3.721 1.00 0.00 H new ATOM 0 HG SER A 20 -7.095 1.261 -4.732 1.00 0.00 H new ATOM 327 N LEU A 21 -4.377 3.762 -2.276 1.00 0.00 N ATOM 328 CA LEU A 21 -3.638 4.453 -1.214 1.00 0.00 C ATOM 329 C LEU A 21 -2.650 5.425 -1.816 1.00 0.00 C ATOM 330 O LEU A 21 -2.582 6.567 -1.387 1.00 0.00 O ATOM 331 CB LEU A 21 -2.908 3.481 -0.273 1.00 0.00 C ATOM 332 CG LEU A 21 -2.007 4.144 0.793 1.00 0.00 C ATOM 333 CD1 LEU A 21 -2.332 3.639 2.182 1.00 0.00 C ATOM 334 CD2 LEU A 21 -0.537 3.923 0.474 1.00 0.00 C ATOM 0 H LEU A 21 -4.344 2.744 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.371 4.993 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.651 2.866 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.296 2.809 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.206 5.215 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.680 4.125 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.372 3.867 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.179 2.561 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.077 4.399 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.326 2.854 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.306 4.357 -0.499 1.00 0.00 H new ATOM 346 N TYR A 22 -1.898 4.978 -2.825 1.00 0.00 N ATOM 347 CA TYR A 22 -0.954 5.864 -3.504 1.00 0.00 C ATOM 348 C TYR A 22 -1.672 7.134 -3.973 1.00 0.00 C ATOM 349 O TYR A 22 -1.176 8.253 -3.761 1.00 0.00 O ATOM 350 CB TYR A 22 -0.285 5.169 -4.709 1.00 0.00 C ATOM 351 CG TYR A 22 0.575 6.100 -5.547 1.00 0.00 C ATOM 352 CD1 TYR A 22 1.517 6.928 -4.952 1.00 0.00 C ATOM 353 CD2 TYR A 22 0.436 6.159 -6.924 1.00 0.00 C ATOM 354 CE1 TYR A 22 2.291 7.775 -5.699 1.00 0.00 C ATOM 355 CE2 TYR A 22 1.209 7.008 -7.680 1.00 0.00 C ATOM 356 CZ TYR A 22 2.135 7.815 -7.064 1.00 0.00 C ATOM 357 OH TYR A 22 2.929 8.645 -7.811 1.00 0.00 O ATOM 0 H TYR A 22 -1.924 4.024 -3.184 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.173 6.125 -2.790 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.331 4.346 -4.347 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.058 4.734 -5.342 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.642 6.904 -3.880 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.292 5.527 -7.412 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.021 8.409 -5.218 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.089 7.041 -8.753 1.00 0.00 H new ATOM 0 HH TYR A 22 2.695 8.556 -8.759 1.00 0.00 H new ATOM 367 N ASP A 23 -2.872 6.960 -4.547 1.00 0.00 N ATOM 368 CA ASP A 23 -3.679 8.094 -5.011 1.00 0.00 C ATOM 369 C ASP A 23 -4.133 8.951 -3.838 1.00 0.00 C ATOM 370 O ASP A 23 -3.941 10.181 -3.851 1.00 0.00 O ATOM 371 CB ASP A 23 -4.885 7.637 -5.838 1.00 0.00 C ATOM 372 CG ASP A 23 -5.546 8.775 -6.540 1.00 0.00 C ATOM 373 OD1 ASP A 23 -4.948 9.331 -7.478 1.00 0.00 O ATOM 374 OD2 ASP A 23 -6.654 9.139 -6.148 1.00 0.00 O ATOM 0 H ASP A 23 -3.302 6.048 -4.700 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.044 8.697 -5.660 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.562 6.897 -6.571 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.607 7.146 -5.185 1.00 0.00 H new ATOM 379 N GLU A 24 -4.677 8.302 -2.794 1.00 0.00 N ATOM 380 CA GLU A 24 -5.071 9.018 -1.565 1.00 0.00 C ATOM 381 C GLU A 24 -3.853 9.781 -1.027 1.00 0.00 C ATOM 382 O GLU A 24 -3.948 10.956 -0.649 1.00 0.00 O ATOM 383 CB GLU A 24 -5.590 8.042 -0.476 1.00 0.00 C ATOM 384 CG GLU A 24 -6.569 6.980 -0.967 1.00 0.00 C ATOM 385 CD GLU A 24 -7.971 7.229 -0.519 1.00 0.00 C ATOM 386 OE1 GLU A 24 -8.560 8.246 -0.934 1.00 0.00 O ATOM 387 OE2 GLU A 24 -8.507 6.404 0.228 1.00 0.00 O ATOM 0 H GLU A 24 -4.853 7.297 -2.774 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.880 9.706 -1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.735 7.542 -0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.073 8.623 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.542 6.944 -2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.247 6.003 -0.608 1.00 0.00 H new ATOM 394 N GLY A 25 -2.706 9.101 -1.018 1.00 0.00 N ATOM 395 CA GLY A 25 -1.474 9.681 -0.559 1.00 0.00 C ATOM 396 C GLY A 25 -1.098 10.893 -1.353 1.00 0.00 C ATOM 397 O GLY A 25 -0.986 11.973 -0.784 1.00 0.00 O ATOM 0 H GLY A 25 -2.620 8.134 -1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.570 9.951 0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.677 8.941 -0.627 1.00 0.00 H new ATOM 401 N ILE A 26 -0.938 10.737 -2.680 1.00 0.00 N ATOM 402 CA ILE A 26 -0.595 11.869 -3.553 1.00 0.00 C ATOM 403 C ILE A 26 -1.552 13.044 -3.319 1.00 0.00 C ATOM 404 O ILE A 26 -1.106 14.162 -3.052 1.00 0.00 O ATOM 405 CB ILE A 26 -0.574 11.469 -5.069 1.00 0.00 C ATOM 406 CG1 ILE A 26 0.511 10.419 -5.331 1.00 0.00 C ATOM 407 CG2 ILE A 26 -0.331 12.685 -5.963 1.00 0.00 C ATOM 408 CD1 ILE A 26 1.928 10.966 -5.245 1.00 0.00 C ATOM 0 H ILE A 26 -1.040 9.846 -3.165 1.00 0.00 H new ATOM 0 HA ILE A 26 0.416 12.179 -3.289 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.551 11.051 -5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.400 9.608 -4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.357 9.990 -6.321 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.322 12.373 -7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.126 13.415 -5.809 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.629 13.136 -5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.640 10.165 -5.442 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.058 11.757 -5.984 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.102 11.369 -4.247 1.00 0.00 H new ATOM 420 N ALA A 27 -2.867 12.774 -3.341 1.00 0.00 N ATOM 421 CA ALA A 27 -3.870 13.824 -3.063 1.00 0.00 C ATOM 422 C ALA A 27 -3.544 14.552 -1.759 1.00 0.00 C ATOM 423 O ALA A 27 -3.637 15.791 -1.685 1.00 0.00 O ATOM 424 CB ALA A 27 -5.279 13.239 -2.989 1.00 0.00 C ATOM 0 H ALA A 27 -3.260 11.855 -3.544 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.834 14.537 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.994 14.036 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.527 12.766 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.324 12.497 -2.192 1.00 0.00 H new ATOM 430 N THR A 28 -3.170 13.784 -0.739 1.00 0.00 N ATOM 431 CA THR A 28 -2.842 14.328 0.571 1.00 0.00 C ATOM 432 C THR A 28 -1.448 14.991 0.592 1.00 0.00 C ATOM 433 O THR A 28 -1.308 16.133 1.037 1.00 0.00 O ATOM 434 CB THR A 28 -2.942 13.234 1.659 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.041 12.375 1.434 1.00 0.00 O ATOM 436 CG2 THR A 28 -3.063 13.784 3.065 1.00 0.00 C ATOM 0 H THR A 28 -3.087 12.769 -0.799 1.00 0.00 H new ATOM 0 HA THR A 28 -3.574 15.106 0.789 1.00 0.00 H new ATOM 0 HB THR A 28 -2.003 12.686 1.582 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.839 11.775 0.686 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.129 12.959 3.774 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.187 14.391 3.295 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.960 14.398 3.139 1.00 0.00 H new ATOM 444 N LEU A 29 -0.414 14.273 0.144 1.00 0.00 N ATOM 445 CA LEU A 29 0.948 14.814 0.169 1.00 0.00 C ATOM 446 C LEU A 29 1.106 15.981 -0.816 1.00 0.00 C ATOM 447 O LEU A 29 1.958 16.858 -0.611 1.00 0.00 O ATOM 448 CB LEU A 29 1.996 13.726 -0.145 1.00 0.00 C ATOM 449 CG LEU A 29 1.769 12.328 0.470 1.00 0.00 C ATOM 450 CD1 LEU A 29 2.065 11.240 -0.541 1.00 0.00 C ATOM 451 CD2 LEU A 29 2.620 12.128 1.712 1.00 0.00 C ATOM 0 H LEU A 29 -0.491 13.329 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 29 1.121 15.182 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.052 13.614 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.969 14.088 0.189 1.00 0.00 H new ATOM 0 HG LEU A 29 0.720 12.264 0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.898 10.264 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.407 11.355 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.103 11.316 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.438 11.135 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.674 12.225 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.360 12.881 2.456 1.00 0.00 H new ATOM 463 N GLY A 30 0.276 16.005 -1.860 1.00 0.00 N ATOM 464 CA GLY A 30 0.325 17.075 -2.833 1.00 0.00 C ATOM 465 C GLY A 30 -0.416 18.293 -2.372 1.00 0.00 C ATOM 466 O GLY A 30 0.094 19.424 -2.476 1.00 0.00 O ATOM 0 H GLY A 30 -0.432 15.295 -2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.364 17.337 -3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.100 16.728 -3.774 1.00 0.00 H new ATOM 470 N ASP A 31 -1.614 18.079 -1.857 1.00 0.00 N ATOM 471 CA ASP A 31 -2.443 19.160 -1.373 1.00 0.00 C ATOM 472 C ASP A 31 -2.348 19.339 0.132 1.00 0.00 C ATOM 473 O ASP A 31 -3.223 18.867 0.885 1.00 0.00 O ATOM 474 CB ASP A 31 -3.913 19.023 -1.814 1.00 0.00 C ATOM 475 CG ASP A 31 -4.797 20.133 -1.281 1.00 0.00 C ATOM 476 OD1 ASP A 31 -4.383 21.300 -1.335 1.00 0.00 O ATOM 477 OD2 ASP A 31 -5.910 19.843 -0.833 1.00 0.00 O ATOM 0 H ASP A 31 -2.035 17.154 -1.764 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.044 20.062 -1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.961 19.019 -2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.301 18.063 -1.474 1.00 0.00 H new ATOM 482 N SER A 32 -1.354 20.107 0.566 1.00 0.00 N ATOM 483 CA SER A 32 -1.249 20.481 1.959 1.00 0.00 C ATOM 484 C SER A 32 -2.381 21.467 2.247 1.00 0.00 C ATOM 485 O SER A 32 -2.380 22.584 1.700 1.00 0.00 O ATOM 486 CB SER A 32 0.094 21.126 2.247 1.00 0.00 C ATOM 487 OG SER A 32 1.198 20.275 1.897 1.00 0.00 O ATOM 0 H SER A 32 -0.615 20.478 -0.030 1.00 0.00 H new ATOM 0 HA SER A 32 -1.327 19.599 2.595 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.171 22.062 1.693 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.154 21.377 3.306 1.00 0.00 H new ATOM 0 HG SER A 32 2.011 20.594 2.341 1.00 0.00 H new ATOM 493 N HIS A 33 -3.402 21.007 2.971 1.00 0.00 N ATOM 494 CA HIS A 33 -4.643 21.786 3.199 1.00 0.00 C ATOM 495 C HIS A 33 -4.405 23.266 3.538 1.00 0.00 C ATOM 496 O HIS A 33 -5.218 24.117 3.171 1.00 0.00 O ATOM 497 CB HIS A 33 -5.532 21.118 4.258 1.00 0.00 C ATOM 498 CG HIS A 33 -6.186 19.865 3.755 1.00 0.00 C ATOM 499 ND1 HIS A 33 -5.700 18.596 4.005 1.00 0.00 N ATOM 500 CD2 HIS A 33 -7.269 19.697 2.964 1.00 0.00 C ATOM 501 CE1 HIS A 33 -6.458 17.710 3.384 1.00 0.00 C ATOM 502 NE2 HIS A 33 -7.418 18.354 2.743 1.00 0.00 N ATOM 0 H HIS A 33 -3.403 20.090 3.418 1.00 0.00 H new ATOM 0 HA HIS A 33 -5.165 21.783 2.242 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.930 20.882 5.136 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.301 21.821 4.578 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -4.885 18.378 4.578 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.903 20.481 2.576 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.317 16.639 3.398 1.00 0.00 H new ATOM 511 N HIS A 34 -3.300 23.585 4.213 1.00 0.00 N ATOM 512 CA HIS A 34 -3.001 24.982 4.546 1.00 0.00 C ATOM 513 C HIS A 34 -1.847 25.576 3.714 1.00 0.00 C ATOM 514 O HIS A 34 -1.212 26.551 4.128 1.00 0.00 O ATOM 515 CB HIS A 34 -2.783 25.169 6.052 1.00 0.00 C ATOM 516 CG HIS A 34 -3.933 25.866 6.695 1.00 0.00 C ATOM 517 ND1 HIS A 34 -4.114 27.227 6.627 1.00 0.00 N ATOM 518 CD2 HIS A 34 -4.990 25.383 7.385 1.00 0.00 C ATOM 519 CE1 HIS A 34 -5.231 27.556 7.250 1.00 0.00 C ATOM 520 NE2 HIS A 34 -5.790 26.455 7.719 1.00 0.00 N ATOM 0 H HIS A 34 -2.607 22.910 4.536 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.886 25.555 4.268 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.639 24.196 6.522 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.871 25.742 6.219 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.174 24.347 7.630 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.622 28.557 7.358 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.665 26.406 8.240 1.00 0.00 H new ATOM 529 N GLY A 35 -1.583 25.001 2.538 1.00 0.00 N ATOM 530 CA GLY A 35 -0.544 25.524 1.638 1.00 0.00 C ATOM 531 C GLY A 35 0.887 25.129 1.982 1.00 0.00 C ATOM 532 O GLY A 35 1.741 25.108 1.093 1.00 0.00 O ATOM 0 H GLY A 35 -2.070 24.177 2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.762 25.185 0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.609 26.612 1.631 1.00 0.00 H new ATOM 536 N TRP A 36 1.160 24.795 3.240 1.00 0.00 N ATOM 537 CA TRP A 36 2.498 24.375 3.654 1.00 0.00 C ATOM 538 C TRP A 36 2.450 22.963 4.223 1.00 0.00 C ATOM 539 O TRP A 36 2.762 22.000 3.519 1.00 0.00 O ATOM 540 CB TRP A 36 3.117 25.366 4.666 1.00 0.00 C ATOM 541 CG TRP A 36 4.527 25.735 4.337 1.00 0.00 C ATOM 542 CD1 TRP A 36 4.939 26.781 3.570 1.00 0.00 C ATOM 543 CD2 TRP A 36 5.714 25.051 4.756 1.00 0.00 C ATOM 544 NE1 TRP A 36 6.313 26.791 3.489 1.00 0.00 N ATOM 545 CE2 TRP A 36 6.809 25.740 4.208 1.00 0.00 C ATOM 546 CE3 TRP A 36 5.954 23.924 5.543 1.00 0.00 C ATOM 547 CZ2 TRP A 36 8.125 25.339 4.421 1.00 0.00 C ATOM 548 CZ3 TRP A 36 7.258 23.525 5.754 1.00 0.00 C ATOM 549 CH2 TRP A 36 8.327 24.231 5.195 1.00 0.00 C ATOM 0 H TRP A 36 0.472 24.807 3.993 1.00 0.00 H new ATOM 0 HA TRP A 36 3.142 24.373 2.775 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.509 26.270 4.698 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.086 24.925 5.662 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.285 27.497 3.095 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.871 27.473 2.975 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.134 23.374 5.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 8.954 25.882 3.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 7.456 22.654 6.361 1.00 0.00 H new ATOM 0 HH2 TRP A 36 9.336 23.893 5.379 1.00 0.00 H new ATOM 560 N VAL A 37 1.989 22.827 5.465 1.00 0.00 N ATOM 561 CA VAL A 37 1.840 21.511 6.083 1.00 0.00 C ATOM 562 C VAL A 37 0.448 20.949 5.796 1.00 0.00 C ATOM 563 O VAL A 37 -0.463 21.706 5.402 1.00 0.00 O ATOM 564 CB VAL A 37 2.078 21.555 7.628 1.00 0.00 C ATOM 565 CG1 VAL A 37 3.543 21.781 7.940 1.00 0.00 C ATOM 566 CG2 VAL A 37 1.224 22.627 8.301 1.00 0.00 C ATOM 0 H VAL A 37 1.713 23.608 6.061 1.00 0.00 H new ATOM 0 HA VAL A 37 2.599 20.862 5.647 1.00 0.00 H new ATOM 0 HB VAL A 37 1.777 20.587 8.029 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.685 21.808 9.020 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.135 20.969 7.516 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.865 22.728 7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.418 22.626 9.374 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.474 23.604 7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.169 22.417 8.123 1.00 0.00 H new ATOM 576 N ASN A 38 0.254 19.667 6.062 1.00 0.00 N ATOM 577 CA ASN A 38 -1.062 19.043 5.917 1.00 0.00 C ATOM 578 C ASN A 38 -1.540 18.557 7.266 1.00 0.00 C ATOM 579 O ASN A 38 -0.738 18.056 8.060 1.00 0.00 O ATOM 580 CB ASN A 38 -1.048 17.878 4.917 1.00 0.00 C ATOM 581 CG ASN A 38 -2.435 17.622 4.342 1.00 0.00 C ATOM 582 OD1 ASN A 38 -3.448 17.834 5.013 1.00 0.00 O ATOM 583 ND2 ASN A 38 -2.509 17.186 3.107 1.00 0.00 N ATOM 0 H ASN A 38 0.988 19.034 6.380 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.744 19.797 5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.352 18.100 4.108 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.685 16.977 5.411 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.419 17.015 2.680 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.656 17.019 2.573 1.00 0.00 H new ATOM 590 N ASP A 39 -2.822 18.718 7.547 1.00 0.00 N ATOM 591 CA ASP A 39 -3.354 18.297 8.827 1.00 0.00 C ATOM 592 C ASP A 39 -3.482 16.795 8.909 1.00 0.00 C ATOM 593 O ASP A 39 -4.271 16.193 8.160 1.00 0.00 O ATOM 594 CB ASP A 39 -4.702 18.941 9.143 1.00 0.00 C ATOM 595 CG ASP A 39 -4.883 19.095 10.609 1.00 0.00 C ATOM 596 OD1 ASP A 39 -4.330 20.036 11.182 1.00 0.00 O ATOM 597 OD2 ASP A 39 -5.543 18.265 11.210 1.00 0.00 O ATOM 0 H ASP A 39 -3.505 19.132 6.913 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.635 18.636 9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.766 19.916 8.660 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.507 18.329 8.735 1.00 0.00 H new ATOM 602 N PRO A 40 -2.742 16.149 9.845 1.00 0.00 N ATOM 603 CA PRO A 40 -2.817 14.692 10.057 1.00 0.00 C ATOM 604 C PRO A 40 -4.248 14.196 10.362 1.00 0.00 C ATOM 605 O PRO A 40 -4.510 12.991 10.302 1.00 0.00 O ATOM 606 CB PRO A 40 -1.905 14.450 11.263 1.00 0.00 C ATOM 607 CG PRO A 40 -0.985 15.621 11.285 1.00 0.00 C ATOM 608 CD PRO A 40 -1.783 16.785 10.776 1.00 0.00 C ATOM 0 HA PRO A 40 -2.519 14.149 9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.480 14.381 12.186 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.353 13.515 11.161 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.619 15.811 12.294 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.112 15.443 10.658 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.293 17.309 11.584 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.153 17.516 10.269 1.00 0.00 H new ATOM 616 N THR A 41 -5.157 15.117 10.701 1.00 0.00 N ATOM 617 CA THR A 41 -6.536 14.762 11.002 1.00 0.00 C ATOM 618 C THR A 41 -7.452 14.808 9.761 1.00 0.00 C ATOM 619 O THR A 41 -8.598 14.361 9.824 1.00 0.00 O ATOM 620 CB THR A 41 -7.104 15.651 12.100 1.00 0.00 C ATOM 621 OG1 THR A 41 -6.085 16.364 12.807 1.00 0.00 O ATOM 622 CG2 THR A 41 -7.865 14.869 13.085 1.00 0.00 C ATOM 0 H THR A 41 -4.955 16.114 10.772 1.00 0.00 H new ATOM 0 HA THR A 41 -6.513 13.730 11.351 1.00 0.00 H new ATOM 0 HB THR A 41 -7.756 16.360 11.591 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.072 17.297 12.509 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.256 15.535 13.854 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.693 14.364 12.587 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.211 14.128 13.545 1.00 0.00 H new ATOM 630 N SER A 42 -6.969 15.390 8.673 1.00 0.00 N ATOM 631 CA SER A 42 -7.739 15.508 7.452 1.00 0.00 C ATOM 632 C SER A 42 -8.281 14.128 7.007 1.00 0.00 C ATOM 633 O SER A 42 -7.626 13.090 7.222 1.00 0.00 O ATOM 634 CB SER A 42 -6.877 16.146 6.359 1.00 0.00 C ATOM 635 OG SER A 42 -5.648 15.433 6.162 1.00 0.00 O ATOM 0 H SER A 42 -6.033 15.792 8.616 1.00 0.00 H new ATOM 0 HA SER A 42 -8.600 16.151 7.635 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.436 16.170 5.424 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.658 17.180 6.627 1.00 0.00 H new ATOM 0 HG SER A 42 -4.925 15.888 6.643 1.00 0.00 H new ATOM 641 N ALA A 43 -9.475 14.117 6.393 1.00 0.00 N ATOM 642 CA ALA A 43 -10.116 12.864 5.937 1.00 0.00 C ATOM 643 C ALA A 43 -9.171 11.991 5.135 1.00 0.00 C ATOM 644 O ALA A 43 -9.171 10.766 5.304 1.00 0.00 O ATOM 645 CB ALA A 43 -11.383 13.128 5.133 1.00 0.00 C ATOM 0 H ALA A 43 -10.019 14.958 6.199 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.389 12.325 6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.819 12.180 4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.099 13.670 5.750 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.138 13.723 4.253 1.00 0.00 H new ATOM 651 N VAL A 44 -8.344 12.616 4.298 1.00 0.00 N ATOM 652 CA VAL A 44 -7.381 11.914 3.508 1.00 0.00 C ATOM 653 C VAL A 44 -6.382 11.236 4.418 1.00 0.00 C ATOM 654 O VAL A 44 -6.187 10.015 4.351 1.00 0.00 O ATOM 655 CB VAL A 44 -6.610 12.820 2.516 1.00 0.00 C ATOM 656 CG1 VAL A 44 -6.869 12.415 1.081 1.00 0.00 C ATOM 657 CG2 VAL A 44 -6.888 14.286 2.703 1.00 0.00 C ATOM 0 H VAL A 44 -8.337 13.627 4.161 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.940 11.190 2.915 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.555 12.669 2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.313 13.071 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.547 11.385 0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.935 12.497 0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.315 14.861 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.952 14.476 2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.599 14.586 3.710 1.00 0.00 H new ATOM 667 N ASN A 45 -5.790 12.034 5.316 1.00 0.00 N ATOM 668 CA ASN A 45 -4.841 11.521 6.283 1.00 0.00 C ATOM 669 C ASN A 45 -5.466 10.387 7.095 1.00 0.00 C ATOM 670 O ASN A 45 -4.870 9.315 7.240 1.00 0.00 O ATOM 671 CB ASN A 45 -4.344 12.622 7.222 1.00 0.00 C ATOM 672 CG ASN A 45 -2.862 12.504 7.509 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.413 11.527 8.087 1.00 0.00 O ATOM 674 ND2 ASN A 45 -2.090 13.502 7.102 1.00 0.00 N ATOM 0 H ASN A 45 -5.959 13.038 5.384 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.984 11.137 5.730 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.550 13.596 6.778 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.899 12.575 8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.084 13.470 7.269 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.502 14.302 6.622 1.00 0.00 H new ATOM 681 N LEU A 46 -6.699 10.612 7.579 1.00 0.00 N ATOM 682 CA LEU A 46 -7.441 9.593 8.340 1.00 0.00 C ATOM 683 C LEU A 46 -7.654 8.352 7.489 1.00 0.00 C ATOM 684 O LEU A 46 -7.325 7.237 7.918 1.00 0.00 O ATOM 685 CB LEU A 46 -8.790 10.135 8.842 1.00 0.00 C ATOM 686 CG LEU A 46 -8.719 11.305 9.833 1.00 0.00 C ATOM 687 CD1 LEU A 46 -10.106 11.730 10.260 1.00 0.00 C ATOM 688 CD2 LEU A 46 -7.877 10.946 11.049 1.00 0.00 C ATOM 0 H LEU A 46 -7.203 11.490 7.457 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.844 9.328 9.213 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.376 10.451 7.979 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.334 9.317 9.314 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.240 12.142 9.325 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.032 12.560 10.962 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.676 12.044 9.385 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.611 10.892 10.741 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.845 11.794 11.733 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.318 10.088 11.556 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.864 10.699 10.730 1.00 0.00 H new ATOM 700 N GLN A 47 -8.119 8.557 6.240 1.00 0.00 N ATOM 701 CA GLN A 47 -8.269 7.488 5.289 1.00 0.00 C ATOM 702 C GLN A 47 -7.007 6.678 5.186 1.00 0.00 C ATOM 703 O GLN A 47 -7.014 5.474 5.414 1.00 0.00 O ATOM 704 CB GLN A 47 -8.573 8.070 3.973 1.00 0.00 C ATOM 705 CG GLN A 47 -10.058 8.267 3.775 1.00 0.00 C ATOM 706 CD GLN A 47 -10.326 8.361 2.363 1.00 0.00 C ATOM 707 OE1 GLN A 47 -9.568 9.163 1.733 1.00 0.00 O flip ATOM 708 NE2 GLN A 47 -11.216 7.697 1.818 1.00 0.00 N flip ATOM 0 H GLN A 47 -8.394 9.472 5.884 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.075 6.832 5.619 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.063 9.028 3.873 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.185 7.419 3.189 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.611 7.435 4.210 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.391 9.172 4.284 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.796 7.068 2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.370 7.779 0.813 1.00 0.00 H new ATOM 717 N LEU A 48 -5.901 7.363 4.880 1.00 0.00 N ATOM 718 CA LEU A 48 -4.588 6.720 4.754 1.00 0.00 C ATOM 719 C LEU A 48 -4.173 6.045 6.049 1.00 0.00 C ATOM 720 O LEU A 48 -3.681 4.926 6.028 1.00 0.00 O ATOM 721 CB LEU A 48 -3.535 7.738 4.340 1.00 0.00 C ATOM 722 CG LEU A 48 -3.794 8.414 2.999 1.00 0.00 C ATOM 723 CD1 LEU A 48 -3.268 9.836 2.985 1.00 0.00 C ATOM 724 CD2 LEU A 48 -3.205 7.598 1.864 1.00 0.00 C ATOM 0 H LEU A 48 -5.889 8.369 4.714 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.669 5.954 3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.468 8.505 5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.565 7.241 4.300 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.873 8.466 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.469 10.289 2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.763 10.415 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.193 9.828 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.401 8.099 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.129 7.500 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.661 6.608 1.853 1.00 0.00 H new ATOM 736 N ASN A 49 -4.402 6.719 7.179 1.00 0.00 N ATOM 737 CA ASN A 49 -4.073 6.151 8.510 1.00 0.00 C ATOM 738 C ASN A 49 -4.784 4.830 8.670 1.00 0.00 C ATOM 739 O ASN A 49 -4.176 3.814 9.051 1.00 0.00 O ATOM 740 CB ASN A 49 -4.483 7.099 9.658 1.00 0.00 C ATOM 741 CG ASN A 49 -3.377 8.047 10.080 1.00 0.00 C ATOM 742 OD1 ASN A 49 -2.751 7.862 11.130 1.00 0.00 O ATOM 743 ND2 ASN A 49 -3.124 9.061 9.281 1.00 0.00 N ATOM 0 H ASN A 49 -4.811 7.653 7.210 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.993 6.015 8.563 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.351 7.680 9.347 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.790 6.504 10.518 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.390 9.728 9.520 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.662 9.181 8.423 1.00 0.00 H new ATOM 750 N ASP A 50 -6.064 4.828 8.317 1.00 0.00 N ATOM 751 CA ASP A 50 -6.862 3.616 8.336 1.00 0.00 C ATOM 752 C ASP A 50 -6.306 2.638 7.325 1.00 0.00 C ATOM 753 O ASP A 50 -5.920 1.532 7.685 1.00 0.00 O ATOM 754 CB ASP A 50 -8.314 3.928 8.020 1.00 0.00 C ATOM 755 CG ASP A 50 -9.188 2.742 8.222 1.00 0.00 C ATOM 756 OD1 ASP A 50 -9.397 2.365 9.379 1.00 0.00 O ATOM 757 OD2 ASP A 50 -9.685 2.200 7.234 1.00 0.00 O ATOM 0 H ASP A 50 -6.571 5.659 8.013 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.819 3.175 9.332 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.657 4.745 8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.397 4.269 6.988 1.00 0.00 H new ATOM 762 N LEU A 51 -6.207 3.097 6.066 1.00 0.00 N ATOM 763 CA LEU A 51 -5.625 2.341 4.968 1.00 0.00 C ATOM 764 C LEU A 51 -4.392 1.594 5.425 1.00 0.00 C ATOM 765 O LEU A 51 -4.329 0.383 5.328 1.00 0.00 O ATOM 766 CB LEU A 51 -5.231 3.301 3.843 1.00 0.00 C ATOM 767 CG LEU A 51 -6.296 3.545 2.794 1.00 0.00 C ATOM 768 CD1 LEU A 51 -6.521 5.025 2.525 1.00 0.00 C ATOM 769 CD2 LEU A 51 -5.932 2.859 1.539 1.00 0.00 C ATOM 0 H LEU A 51 -6.538 4.021 5.788 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.365 1.623 4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.955 4.258 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.342 2.910 3.349 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.230 3.141 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.294 5.143 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.837 5.518 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.593 5.476 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.702 3.039 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.978 3.243 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.846 1.788 1.721 1.00 0.00 H new ATOM 781 N ILE A 52 -3.417 2.344 5.922 1.00 0.00 N ATOM 782 CA ILE A 52 -2.148 1.788 6.400 1.00 0.00 C ATOM 783 C ILE A 52 -2.358 0.493 7.211 1.00 0.00 C ATOM 784 O ILE A 52 -1.845 -0.567 6.838 1.00 0.00 O ATOM 785 CB ILE A 52 -1.337 2.840 7.241 1.00 0.00 C ATOM 786 CG1 ILE A 52 -0.876 3.994 6.355 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.128 2.214 7.942 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.682 5.285 7.106 1.00 0.00 C ATOM 0 H ILE A 52 -3.480 3.359 6.007 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.563 1.537 5.516 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.011 3.217 8.011 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.062 3.719 5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.609 4.150 5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.400 2.980 8.510 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.466 1.429 8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.544 1.787 7.197 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.354 6.062 6.415 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.624 5.583 7.567 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.073 5.146 7.880 1.00 0.00 H new ATOM 800 N GLU A 53 -3.128 0.574 8.294 1.00 0.00 N ATOM 801 CA GLU A 53 -3.371 -0.603 9.131 1.00 0.00 C ATOM 802 C GLU A 53 -4.383 -1.540 8.516 1.00 0.00 C ATOM 803 O GLU A 53 -4.168 -2.761 8.493 1.00 0.00 O ATOM 804 CB GLU A 53 -3.777 -0.211 10.535 1.00 0.00 C ATOM 805 CG GLU A 53 -2.598 0.254 11.358 1.00 0.00 C ATOM 806 CD GLU A 53 -2.526 -0.366 12.726 1.00 0.00 C ATOM 807 OE1 GLU A 53 -3.545 -0.435 13.411 1.00 0.00 O ATOM 808 OE2 GLU A 53 -1.443 -0.783 13.115 1.00 0.00 O ATOM 0 H GLU A 53 -3.589 1.427 8.611 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.427 -1.144 9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.522 0.583 10.488 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.249 -1.062 11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.679 0.027 10.818 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.646 1.338 11.463 1.00 0.00 H new ATOM 815 N HIS A 54 -5.461 -0.983 7.993 1.00 0.00 N ATOM 816 CA HIS A 54 -6.494 -1.774 7.328 1.00 0.00 C ATOM 817 C HIS A 54 -5.868 -2.671 6.246 1.00 0.00 C ATOM 818 O HIS A 54 -6.255 -3.843 6.097 1.00 0.00 O ATOM 819 CB HIS A 54 -7.569 -0.867 6.724 1.00 0.00 C ATOM 820 CG HIS A 54 -8.869 -1.561 6.450 1.00 0.00 C ATOM 821 ND1 HIS A 54 -8.961 -2.850 5.945 1.00 0.00 N ATOM 822 CD2 HIS A 54 -10.145 -1.143 6.636 1.00 0.00 C ATOM 823 CE1 HIS A 54 -10.234 -3.186 5.833 1.00 0.00 C ATOM 824 NE2 HIS A 54 -10.974 -2.170 6.244 1.00 0.00 N ATOM 0 H HIS A 54 -5.649 0.019 8.014 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.971 -2.412 8.072 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.750 -0.034 7.403 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.192 -0.444 5.793 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -8.170 -3.445 5.699 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.454 -0.182 7.020 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -10.607 -4.131 5.467 1.00 0.00 H new ATOM 833 N ILE A 55 -4.877 -2.137 5.529 1.00 0.00 N ATOM 834 CA ILE A 55 -4.140 -2.906 4.546 1.00 0.00 C ATOM 835 C ILE A 55 -3.149 -3.818 5.279 1.00 0.00 C ATOM 836 O ILE A 55 -3.025 -4.975 4.938 1.00 0.00 O ATOM 837 CB ILE A 55 -3.379 -1.991 3.526 1.00 0.00 C ATOM 838 CG1 ILE A 55 -4.350 -1.052 2.807 1.00 0.00 C ATOM 839 CG2 ILE A 55 -2.618 -2.818 2.496 1.00 0.00 C ATOM 840 CD1 ILE A 55 -3.659 0.058 2.046 1.00 0.00 C ATOM 0 H ILE A 55 -4.571 -1.168 5.618 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.851 -3.498 3.970 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.663 -1.400 4.097 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.960 -1.632 2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.029 -0.613 3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.102 -2.152 1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.889 -3.450 3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.318 -3.444 1.943 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.406 0.686 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.071 0.662 2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.001 -0.373 1.291 1.00 0.00 H new ATOM 852 N ALA A 56 -2.475 -3.281 6.319 1.00 0.00 N ATOM 853 CA ALA A 56 -1.516 -4.058 7.131 1.00 0.00 C ATOM 854 C ALA A 56 -2.110 -5.393 7.581 1.00 0.00 C ATOM 855 O ALA A 56 -1.591 -6.461 7.230 1.00 0.00 O ATOM 856 CB ALA A 56 -1.037 -3.245 8.348 1.00 0.00 C ATOM 0 H ALA A 56 -2.578 -2.311 6.616 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.655 -4.272 6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.332 -3.840 8.929 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.547 -2.333 8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.892 -2.985 8.972 1.00 0.00 H new ATOM 862 N SER A 57 -3.230 -5.337 8.303 1.00 0.00 N ATOM 863 CA SER A 57 -3.916 -6.553 8.760 1.00 0.00 C ATOM 864 C SER A 57 -4.356 -7.398 7.568 1.00 0.00 C ATOM 865 O SER A 57 -4.263 -8.644 7.589 1.00 0.00 O ATOM 866 CB SER A 57 -5.119 -6.208 9.650 1.00 0.00 C ATOM 867 OG SER A 57 -5.769 -5.001 9.221 1.00 0.00 O ATOM 0 H SER A 57 -3.683 -4.467 8.585 1.00 0.00 H new ATOM 0 HA SER A 57 -3.212 -7.133 9.357 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.833 -7.032 9.632 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.788 -6.096 10.682 1.00 0.00 H new ATOM 0 HG SER A 57 -6.530 -4.813 9.809 1.00 0.00 H new ATOM 873 N PHE A 58 -4.784 -6.721 6.496 1.00 0.00 N ATOM 874 CA PHE A 58 -5.162 -7.407 5.283 1.00 0.00 C ATOM 875 C PHE A 58 -3.960 -8.171 4.738 1.00 0.00 C ATOM 876 O PHE A 58 -4.073 -9.333 4.434 1.00 0.00 O ATOM 877 CB PHE A 58 -5.720 -6.444 4.224 1.00 0.00 C ATOM 878 CG PHE A 58 -6.073 -7.138 2.946 1.00 0.00 C ATOM 879 CD1 PHE A 58 -7.012 -8.157 2.941 1.00 0.00 C ATOM 880 CD2 PHE A 58 -5.448 -6.799 1.762 1.00 0.00 C ATOM 881 CE1 PHE A 58 -7.320 -8.817 1.780 1.00 0.00 C ATOM 882 CE2 PHE A 58 -5.753 -7.462 0.597 1.00 0.00 C ATOM 883 CZ PHE A 58 -6.690 -8.470 0.611 1.00 0.00 C ATOM 0 H PHE A 58 -4.872 -5.706 6.456 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.962 -8.107 5.524 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.606 -5.947 4.620 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.983 -5.667 4.020 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.506 -8.434 3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.714 -6.007 1.751 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.056 -9.607 1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.259 -7.193 -0.325 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.931 -8.991 -0.304 1.00 0.00 H new ATOM 893 N VAL A 59 -2.795 -7.517 4.693 1.00 0.00 N ATOM 894 CA VAL A 59 -1.556 -8.155 4.259 1.00 0.00 C ATOM 895 C VAL A 59 -1.296 -9.416 5.086 1.00 0.00 C ATOM 896 O VAL A 59 -1.124 -10.499 4.521 1.00 0.00 O ATOM 897 CB VAL A 59 -0.344 -7.185 4.369 1.00 0.00 C ATOM 898 CG1 VAL A 59 0.951 -7.880 3.992 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.558 -5.962 3.492 1.00 0.00 C ATOM 0 H VAL A 59 -2.688 -6.537 4.955 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.671 -8.428 3.210 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.267 -6.864 5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.780 -7.177 4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.119 -8.724 4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.886 -8.239 2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.300 -5.295 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.668 -6.274 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.459 -5.439 3.811 1.00 0.00 H new ATOM 909 N MET A 60 -1.330 -9.286 6.421 1.00 0.00 N ATOM 910 CA MET A 60 -1.162 -10.454 7.300 1.00 0.00 C ATOM 911 C MET A 60 -2.147 -11.552 6.892 1.00 0.00 C ATOM 912 O MET A 60 -1.758 -12.711 6.737 1.00 0.00 O ATOM 913 CB MET A 60 -1.373 -10.088 8.775 1.00 0.00 C ATOM 914 CG MET A 60 -0.101 -9.872 9.543 1.00 0.00 C ATOM 915 SD MET A 60 -0.259 -8.677 10.881 1.00 0.00 S ATOM 916 CE MET A 60 -0.484 -7.154 9.969 1.00 0.00 C ATOM 0 H MET A 60 -1.470 -8.401 6.909 1.00 0.00 H new ATOM 0 HA MET A 60 -0.139 -10.814 7.189 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.976 -9.182 8.830 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.945 -10.881 9.256 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.230 -10.825 9.956 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.675 -9.535 8.856 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.373 -6.501 10.135 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.571 -7.376 8.905 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.391 -6.656 10.311 1.00 0.00 H new ATOM 926 N SER A 61 -3.408 -11.155 6.655 1.00 0.00 N ATOM 927 CA SER A 61 -4.452 -12.045 6.190 1.00 0.00 C ATOM 928 C SER A 61 -4.087 -12.606 4.795 1.00 0.00 C ATOM 929 O SER A 61 -4.134 -13.825 4.567 1.00 0.00 O ATOM 930 CB SER A 61 -5.779 -11.275 6.123 1.00 0.00 C ATOM 931 OG SER A 61 -6.063 -10.560 7.351 1.00 0.00 O ATOM 0 H SER A 61 -3.721 -10.193 6.786 1.00 0.00 H new ATOM 0 HA SER A 61 -4.555 -12.881 6.882 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.745 -10.569 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.591 -11.972 5.915 1.00 0.00 H new ATOM 0 HG SER A 61 -5.695 -9.654 7.294 1.00 0.00 H new ATOM 937 N PHE A 62 -3.663 -11.709 3.898 1.00 0.00 N ATOM 938 CA PHE A 62 -3.220 -12.047 2.542 1.00 0.00 C ATOM 939 C PHE A 62 -2.247 -13.220 2.579 1.00 0.00 C ATOM 940 O PHE A 62 -2.416 -14.208 1.844 1.00 0.00 O ATOM 941 CB PHE A 62 -2.530 -10.823 1.903 1.00 0.00 C ATOM 942 CG PHE A 62 -2.448 -10.885 0.416 1.00 0.00 C ATOM 943 CD1 PHE A 62 -3.508 -10.485 -0.352 1.00 0.00 C ATOM 944 CD2 PHE A 62 -1.312 -11.356 -0.212 1.00 0.00 C ATOM 945 CE1 PHE A 62 -3.453 -10.550 -1.711 1.00 0.00 C ATOM 946 CE2 PHE A 62 -1.242 -11.426 -1.589 1.00 0.00 C ATOM 947 CZ PHE A 62 -2.320 -11.021 -2.344 1.00 0.00 C ATOM 0 H PHE A 62 -3.618 -10.710 4.098 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.089 -12.329 1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.072 -9.922 2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.523 -10.733 2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.401 -10.112 0.127 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.468 -11.674 0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.302 -10.231 -2.298 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.349 -11.796 -2.070 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.280 -11.071 -3.422 1.00 0.00 H new ATOM 957 N LYS A 63 -1.234 -13.099 3.429 1.00 0.00 N ATOM 958 CA LYS A 63 -0.205 -14.111 3.597 1.00 0.00 C ATOM 959 C LYS A 63 -0.738 -15.406 4.250 1.00 0.00 C ATOM 960 O LYS A 63 -0.112 -16.466 4.124 1.00 0.00 O ATOM 961 CB LYS A 63 0.959 -13.527 4.396 1.00 0.00 C ATOM 962 CG LYS A 63 1.356 -12.125 3.920 1.00 0.00 C ATOM 963 CD LYS A 63 1.909 -11.266 5.046 1.00 0.00 C ATOM 964 CE LYS A 63 3.415 -11.436 5.238 1.00 0.00 C ATOM 965 NZ LYS A 63 4.219 -10.858 4.124 1.00 0.00 N ATOM 0 H LYS A 63 -1.105 -12.283 4.028 1.00 0.00 H new ATOM 0 HA LYS A 63 0.143 -14.399 2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.686 -13.485 5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.820 -14.191 4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.103 -12.210 3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.487 -11.632 3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.690 -10.219 4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.398 -11.520 5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.711 -10.963 6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.645 -12.497 5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.212 -11.150 4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.848 -11.200 3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.159 -9.820 4.155 1.00 0.00 H new ATOM 979 N ILE A 64 -1.915 -15.344 4.893 1.00 0.00 N ATOM 980 CA ILE A 64 -2.545 -16.536 5.485 1.00 0.00 C ATOM 981 C ILE A 64 -3.071 -17.417 4.368 1.00 0.00 C ATOM 982 O ILE A 64 -2.873 -18.643 4.378 1.00 0.00 O ATOM 983 CB ILE A 64 -3.752 -16.186 6.423 1.00 0.00 C ATOM 984 CG1 ILE A 64 -3.389 -15.090 7.409 1.00 0.00 C ATOM 985 CG2 ILE A 64 -4.245 -17.417 7.176 1.00 0.00 C ATOM 986 CD1 ILE A 64 -4.480 -14.780 8.405 1.00 0.00 C ATOM 0 H ILE A 64 -2.449 -14.484 5.016 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.783 -17.036 6.083 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.557 -15.824 5.783 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.489 -15.384 7.950 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.146 -14.183 6.856 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.082 -17.140 7.817 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.570 -18.174 6.462 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.436 -17.818 7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.146 -13.988 9.075 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.375 -14.454 7.875 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.708 -15.674 8.985 1.00 0.00 H new ATOM 998 N LYS A 65 -3.764 -16.793 3.406 1.00 0.00 N ATOM 999 CA LYS A 65 -4.343 -17.531 2.290 1.00 0.00 C ATOM 1000 C LYS A 65 -3.304 -17.888 1.215 1.00 0.00 C ATOM 1001 O LYS A 65 -3.609 -18.660 0.300 1.00 0.00 O ATOM 1002 CB LYS A 65 -5.545 -16.780 1.672 1.00 0.00 C ATOM 1003 CG LYS A 65 -5.182 -15.478 0.957 1.00 0.00 C ATOM 1004 CD LYS A 65 -5.210 -15.633 -0.571 1.00 0.00 C ATOM 1005 CE LYS A 65 -4.075 -14.869 -1.281 1.00 0.00 C ATOM 1006 NZ LYS A 65 -3.540 -13.741 -0.485 1.00 0.00 N ATOM 0 H LYS A 65 -3.933 -15.787 3.383 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.709 -18.471 2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.045 -17.441 0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.263 -16.558 2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.879 -14.695 1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.189 -15.157 1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.140 -16.691 -0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.169 -15.278 -0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.265 -15.563 -1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.443 -14.489 -2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.074 -13.060 -1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.319 -13.270 0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.850 -14.100 0.205 1.00 0.00 H new ATOM 1020 N TYR A 66 -2.096 -17.302 1.289 1.00 0.00 N ATOM 1021 CA TYR A 66 -1.045 -17.585 0.310 1.00 0.00 C ATOM 1022 C TYR A 66 0.341 -17.244 0.872 1.00 0.00 C ATOM 1023 O TYR A 66 0.528 -16.189 1.451 1.00 0.00 O ATOM 1024 CB TYR A 66 -1.291 -16.812 -0.987 1.00 0.00 C ATOM 1025 CG TYR A 66 -0.414 -17.244 -2.135 1.00 0.00 C ATOM 1026 CD1 TYR A 66 -0.570 -18.489 -2.723 1.00 0.00 C ATOM 1027 CD2 TYR A 66 0.571 -16.408 -2.627 1.00 0.00 C ATOM 1028 CE1 TYR A 66 0.231 -18.886 -3.765 1.00 0.00 C ATOM 1029 CE2 TYR A 66 1.379 -16.798 -3.671 1.00 0.00 C ATOM 1030 CZ TYR A 66 1.204 -18.040 -4.236 1.00 0.00 C ATOM 1031 OH TYR A 66 2.009 -18.438 -5.270 1.00 0.00 O ATOM 0 H TYR A 66 -1.830 -16.635 2.013 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.074 -18.653 0.093 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.335 -16.931 -1.276 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.131 -15.750 -0.801 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.334 -19.158 -2.356 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.709 -15.432 -2.185 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.096 -19.860 -4.212 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.145 -16.134 -4.044 1.00 0.00 H new ATOM 0 HH TYR A 66 2.288 -17.654 -5.788 1.00 0.00 H new ATOM 1041 N PRO A 67 1.311 -18.181 0.781 1.00 0.00 N ATOM 1042 CA PRO A 67 2.659 -17.976 1.337 1.00 0.00 C ATOM 1043 C PRO A 67 3.661 -17.314 0.355 1.00 0.00 C ATOM 1044 O PRO A 67 4.591 -16.631 0.783 1.00 0.00 O ATOM 1045 CB PRO A 67 3.105 -19.405 1.645 1.00 0.00 C ATOM 1046 CG PRO A 67 2.438 -20.250 0.597 1.00 0.00 C ATOM 1047 CD PRO A 67 1.145 -19.557 0.229 1.00 0.00 C ATOM 0 HA PRO A 67 2.636 -17.295 2.188 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.190 -19.500 1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.802 -19.706 2.648 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.080 -20.359 -0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.244 -21.253 0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.993 -19.540 -0.850 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.282 -20.062 0.664 1.00 0.00 H new ATOM 1055 N ASP A 68 3.533 -17.617 -0.944 1.00 0.00 N ATOM 1056 CA ASP A 68 4.517 -17.165 -1.959 1.00 0.00 C ATOM 1057 C ASP A 68 4.511 -15.673 -2.243 1.00 0.00 C ATOM 1058 O ASP A 68 5.407 -15.182 -2.927 1.00 0.00 O ATOM 1059 CB ASP A 68 4.368 -17.940 -3.263 1.00 0.00 C ATOM 1060 CG ASP A 68 5.677 -18.221 -3.917 1.00 0.00 C ATOM 1061 OD1 ASP A 68 6.437 -19.041 -3.393 1.00 0.00 O ATOM 1062 OD2 ASP A 68 5.955 -17.629 -4.960 1.00 0.00 O ATOM 0 H ASP A 68 2.765 -18.170 -1.324 1.00 0.00 H new ATOM 0 HA ASP A 68 5.485 -17.379 -1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.856 -18.882 -3.065 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.738 -17.373 -3.948 1.00 0.00 H new ATOM 1067 N ASP A 69 3.536 -14.958 -1.741 1.00 0.00 N ATOM 1068 CA ASP A 69 3.434 -13.534 -1.953 1.00 0.00 C ATOM 1069 C ASP A 69 4.237 -12.721 -0.957 1.00 0.00 C ATOM 1070 O ASP A 69 4.176 -11.488 -0.984 1.00 0.00 O ATOM 1071 CB ASP A 69 1.996 -13.110 -1.913 1.00 0.00 C ATOM 1072 CG ASP A 69 1.356 -13.166 -0.543 1.00 0.00 C ATOM 1073 OD1 ASP A 69 1.740 -12.383 0.347 1.00 0.00 O ATOM 1074 OD2 ASP A 69 0.475 -13.991 -0.357 1.00 0.00 O ATOM 0 H ASP A 69 2.786 -15.348 -1.170 1.00 0.00 H new ATOM 0 HA ASP A 69 3.859 -13.335 -2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.922 -12.091 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.426 -13.745 -2.591 1.00 0.00 H new ATOM 1079 N GLY A 70 4.924 -13.400 -0.050 1.00 0.00 N ATOM 1080 CA GLY A 70 5.689 -12.742 0.991 1.00 0.00 C ATOM 1081 C GLY A 70 6.409 -11.475 0.531 1.00 0.00 C ATOM 1082 O GLY A 70 6.355 -10.456 1.221 1.00 0.00 O ATOM 0 H GLY A 70 4.965 -14.419 -0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.020 -12.488 1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.425 -13.443 1.384 1.00 0.00 H new ATOM 1086 N ASP A 71 7.017 -11.513 -0.667 1.00 0.00 N ATOM 1087 CA ASP A 71 7.709 -10.341 -1.242 1.00 0.00 C ATOM 1088 C ASP A 71 6.738 -9.216 -1.548 1.00 0.00 C ATOM 1089 O ASP A 71 7.018 -8.047 -1.262 1.00 0.00 O ATOM 1090 CB ASP A 71 8.534 -10.698 -2.504 1.00 0.00 C ATOM 1091 CG ASP A 71 7.890 -11.682 -3.435 1.00 0.00 C ATOM 1092 OD1 ASP A 71 7.587 -12.801 -3.020 1.00 0.00 O ATOM 1093 OD2 ASP A 71 7.728 -11.360 -4.602 1.00 0.00 O ATOM 0 H ASP A 71 7.045 -12.343 -1.259 1.00 0.00 H new ATOM 0 HA ASP A 71 8.409 -9.998 -0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.738 -9.780 -3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.496 -11.099 -2.187 1.00 0.00 H new ATOM 1098 N LEU A 72 5.599 -9.566 -2.110 1.00 0.00 N ATOM 1099 CA LEU A 72 4.544 -8.601 -2.406 1.00 0.00 C ATOM 1100 C LEU A 72 3.976 -8.044 -1.119 1.00 0.00 C ATOM 1101 O LEU A 72 3.877 -6.823 -0.952 1.00 0.00 O ATOM 1102 CB LEU A 72 3.406 -9.258 -3.200 1.00 0.00 C ATOM 1103 CG LEU A 72 2.342 -8.308 -3.814 1.00 0.00 C ATOM 1104 CD1 LEU A 72 2.918 -6.937 -4.157 1.00 0.00 C ATOM 1105 CD2 LEU A 72 1.703 -8.932 -5.037 1.00 0.00 C ATOM 0 H LEU A 72 5.373 -10.524 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 72 4.982 -7.800 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.848 -9.841 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.895 -9.961 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 72 1.576 -8.158 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.135 -6.310 -4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.306 -6.469 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.725 -7.052 -4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.961 -8.248 -5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.469 -9.131 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.218 -9.867 -4.757 1.00 0.00 H new ATOM 1117 N SER A 73 3.591 -8.938 -0.211 1.00 0.00 N ATOM 1118 CA SER A 73 3.001 -8.511 1.044 1.00 0.00 C ATOM 1119 C SER A 73 3.974 -7.658 1.840 1.00 0.00 C ATOM 1120 O SER A 73 3.627 -6.555 2.251 1.00 0.00 O ATOM 1121 CB SER A 73 2.467 -9.695 1.867 1.00 0.00 C ATOM 1122 OG SER A 73 3.313 -10.852 1.778 1.00 0.00 O ATOM 0 H SER A 73 3.677 -9.948 -0.323 1.00 0.00 H new ATOM 0 HA SER A 73 2.137 -7.891 0.804 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.375 -9.396 2.911 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.466 -9.953 1.520 1.00 0.00 H new ATOM 0 HG SER A 73 3.060 -11.383 0.994 1.00 0.00 H new ATOM 1128 N GLU A 74 5.221 -8.135 1.978 1.00 0.00 N ATOM 1129 CA GLU A 74 6.253 -7.381 2.657 1.00 0.00 C ATOM 1130 C GLU A 74 6.437 -5.996 2.033 1.00 0.00 C ATOM 1131 O GLU A 74 6.484 -4.993 2.749 1.00 0.00 O ATOM 1132 CB GLU A 74 7.542 -8.183 2.728 1.00 0.00 C ATOM 1133 CG GLU A 74 8.493 -7.883 1.657 1.00 0.00 C ATOM 1134 CD GLU A 74 9.755 -8.689 1.735 1.00 0.00 C ATOM 1135 OE1 GLU A 74 10.351 -8.759 2.818 1.00 0.00 O ATOM 1136 OE2 GLU A 74 10.161 -9.252 0.722 1.00 0.00 O ATOM 0 H GLU A 74 5.526 -9.041 1.623 1.00 0.00 H new ATOM 0 HA GLU A 74 5.937 -7.203 3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.022 -7.995 3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.299 -9.245 2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.014 -8.065 0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.745 -6.823 1.692 1.00 0.00 H new ATOM 1143 N LEU A 75 6.479 -5.948 0.701 1.00 0.00 N ATOM 1144 CA LEU A 75 6.566 -4.672 -0.029 1.00 0.00 C ATOM 1145 C LEU A 75 5.397 -3.795 0.375 1.00 0.00 C ATOM 1146 O LEU A 75 5.579 -2.640 0.779 1.00 0.00 O ATOM 1147 CB LEU A 75 6.533 -4.896 -1.554 1.00 0.00 C ATOM 1148 CG LEU A 75 7.304 -3.891 -2.446 1.00 0.00 C ATOM 1149 CD1 LEU A 75 7.939 -2.764 -1.643 1.00 0.00 C ATOM 1150 CD2 LEU A 75 8.355 -4.611 -3.243 1.00 0.00 C ATOM 0 H LEU A 75 6.455 -6.773 0.102 1.00 0.00 H new ATOM 0 HA LEU A 75 7.511 -4.191 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.926 -5.893 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.490 -4.894 -1.871 1.00 0.00 H new ATOM 0 HG LEU A 75 6.577 -3.436 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.466 -2.089 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.163 -2.213 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.643 -3.182 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.892 -3.896 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.055 -5.098 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.881 -5.361 -3.876 1.00 0.00 H new ATOM 1162 N VAL A 76 4.190 -4.368 0.310 1.00 0.00 N ATOM 1163 CA VAL A 76 2.989 -3.666 0.742 1.00 0.00 C ATOM 1164 C VAL A 76 3.196 -3.141 2.165 1.00 0.00 C ATOM 1165 O VAL A 76 3.069 -1.935 2.399 1.00 0.00 O ATOM 1166 CB VAL A 76 1.718 -4.571 0.674 1.00 0.00 C ATOM 1167 CG1 VAL A 76 0.485 -3.828 1.177 1.00 0.00 C ATOM 1168 CG2 VAL A 76 1.492 -5.077 -0.750 1.00 0.00 C ATOM 0 H VAL A 76 4.025 -5.313 -0.037 1.00 0.00 H new ATOM 0 HA VAL A 76 2.820 -2.834 0.059 1.00 0.00 H new ATOM 0 HB VAL A 76 1.884 -5.429 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.384 -4.483 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.640 -3.524 2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.316 -2.945 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.602 -5.706 -0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.357 -4.228 -1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.356 -5.659 -1.071 1.00 0.00 H new ATOM 1178 N GLU A 77 3.607 -4.036 3.082 1.00 0.00 N ATOM 1179 CA GLU A 77 3.915 -3.654 4.472 1.00 0.00 C ATOM 1180 C GLU A 77 4.901 -2.478 4.501 1.00 0.00 C ATOM 1181 O GLU A 77 4.641 -1.459 5.167 1.00 0.00 O ATOM 1182 CB GLU A 77 4.478 -4.850 5.264 1.00 0.00 C ATOM 1183 CG GLU A 77 3.574 -6.087 5.265 1.00 0.00 C ATOM 1184 CD GLU A 77 4.325 -7.373 5.467 1.00 0.00 C ATOM 1185 OE1 GLU A 77 5.282 -7.389 6.250 1.00 0.00 O ATOM 1186 OE2 GLU A 77 3.948 -8.380 4.865 1.00 0.00 O ATOM 0 H GLU A 77 3.733 -5.029 2.885 1.00 0.00 H new ATOM 0 HA GLU A 77 2.986 -3.341 4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.447 -5.123 4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.650 -4.540 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.828 -5.983 6.053 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.034 -6.134 4.319 1.00 0.00 H new ATOM 1193 N GLU A 78 6.001 -2.597 3.734 1.00 0.00 N ATOM 1194 CA GLU A 78 6.987 -1.512 3.602 1.00 0.00 C ATOM 1195 C GLU A 78 6.261 -0.212 3.232 1.00 0.00 C ATOM 1196 O GLU A 78 6.467 0.833 3.861 1.00 0.00 O ATOM 1197 CB GLU A 78 8.023 -1.839 2.501 1.00 0.00 C ATOM 1198 CG GLU A 78 9.075 -2.873 2.876 1.00 0.00 C ATOM 1199 CD GLU A 78 10.199 -2.913 1.883 1.00 0.00 C ATOM 1200 OE1 GLU A 78 11.085 -2.055 1.963 1.00 0.00 O ATOM 1201 OE2 GLU A 78 10.200 -3.786 1.009 1.00 0.00 O ATOM 0 H GLU A 78 6.228 -3.434 3.197 1.00 0.00 H new ATOM 0 HA GLU A 78 7.508 -1.401 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.490 -2.193 1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.530 -0.916 2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.472 -2.645 3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.611 -3.857 2.939 1.00 0.00 H new ATOM 1208 N TYR A 79 5.400 -0.303 2.212 1.00 0.00 N ATOM 1209 CA TYR A 79 4.610 0.832 1.740 1.00 0.00 C ATOM 1210 C TYR A 79 3.753 1.410 2.865 1.00 0.00 C ATOM 1211 O TYR A 79 3.775 2.628 3.110 1.00 0.00 O ATOM 1212 CB TYR A 79 3.722 0.416 0.556 1.00 0.00 C ATOM 1213 CG TYR A 79 3.214 1.568 -0.286 1.00 0.00 C ATOM 1214 CD1 TYR A 79 4.013 2.674 -0.548 1.00 0.00 C ATOM 1215 CD2 TYR A 79 1.935 1.545 -0.824 1.00 0.00 C ATOM 1216 CE1 TYR A 79 3.556 3.710 -1.310 1.00 0.00 C ATOM 1217 CE2 TYR A 79 1.468 2.589 -1.593 1.00 0.00 C ATOM 1218 CZ TYR A 79 2.280 3.668 -1.834 1.00 0.00 C ATOM 1219 OH TYR A 79 1.822 4.698 -2.617 1.00 0.00 O ATOM 0 H TYR A 79 5.234 -1.166 1.694 1.00 0.00 H new ATOM 0 HA TYR A 79 5.301 1.606 1.406 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.286 -0.263 -0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.867 -0.142 0.938 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.013 2.715 -0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.295 0.695 -0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.192 4.561 -1.503 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.469 2.558 -2.003 1.00 0.00 H new ATOM 0 HH TYR A 79 1.784 5.521 -2.086 1.00 0.00 H new ATOM 1229 N LEU A 80 3.000 0.549 3.559 1.00 0.00 N ATOM 1230 CA LEU A 80 2.149 1.001 4.683 1.00 0.00 C ATOM 1231 C LEU A 80 2.993 1.765 5.694 1.00 0.00 C ATOM 1232 O LEU A 80 2.660 2.905 6.066 1.00 0.00 O ATOM 1233 CB LEU A 80 1.448 -0.185 5.384 1.00 0.00 C ATOM 1234 CG LEU A 80 1.010 -1.352 4.487 1.00 0.00 C ATOM 1235 CD1 LEU A 80 0.318 -2.409 5.289 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.125 -0.871 3.354 1.00 0.00 C ATOM 0 H LEU A 80 2.957 -0.453 3.372 1.00 0.00 H new ATOM 0 HA LEU A 80 1.377 1.653 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.121 -0.576 6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.567 0.197 5.901 1.00 0.00 H new ATOM 0 HG LEU A 80 1.907 -1.789 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.017 -3.225 4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.997 -2.789 6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.564 -1.984 5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.169 -1.720 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.766 -0.395 3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.672 -0.151 2.745 1.00 0.00 H new ATOM 1248 N ASP A 81 4.118 1.147 6.085 1.00 0.00 N ATOM 1249 CA ASP A 81 5.084 1.744 7.023 1.00 0.00 C ATOM 1250 C ASP A 81 5.481 3.137 6.584 1.00 0.00 C ATOM 1251 O ASP A 81 5.379 4.103 7.363 1.00 0.00 O ATOM 1252 CB ASP A 81 6.337 0.879 7.120 1.00 0.00 C ATOM 1253 CG ASP A 81 7.073 1.081 8.396 1.00 0.00 C ATOM 1254 OD1 ASP A 81 6.635 0.567 9.426 1.00 0.00 O ATOM 1255 OD2 ASP A 81 8.104 1.748 8.376 1.00 0.00 O ATOM 0 H ASP A 81 4.385 0.218 5.760 1.00 0.00 H new ATOM 0 HA ASP A 81 4.601 1.803 7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.058 -0.171 7.028 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.998 1.107 6.284 1.00 0.00 H new ATOM 1260 N ASP A 82 5.951 3.244 5.341 1.00 0.00 N ATOM 1261 CA ASP A 82 6.365 4.542 4.777 1.00 0.00 C ATOM 1262 C ASP A 82 5.201 5.522 4.807 1.00 0.00 C ATOM 1263 O ASP A 82 5.348 6.654 5.284 1.00 0.00 O ATOM 1264 CB ASP A 82 6.893 4.400 3.334 1.00 0.00 C ATOM 1265 CG ASP A 82 8.272 3.805 3.256 1.00 0.00 C ATOM 1266 OD1 ASP A 82 9.125 4.113 4.115 1.00 0.00 O ATOM 1267 OD2 ASP A 82 8.508 2.997 2.356 1.00 0.00 O ATOM 0 H ASP A 82 6.057 2.455 4.703 1.00 0.00 H new ATOM 0 HA ASP A 82 7.179 4.922 5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.204 3.777 2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.902 5.382 2.861 1.00 0.00 H new ATOM 1272 N THR A 83 4.024 5.061 4.346 1.00 0.00 N ATOM 1273 CA THR A 83 2.797 5.877 4.364 1.00 0.00 C ATOM 1274 C THR A 83 2.569 6.435 5.775 1.00 0.00 C ATOM 1275 O THR A 83 2.493 7.660 5.972 1.00 0.00 O ATOM 1276 CB THR A 83 1.554 5.047 3.920 1.00 0.00 C ATOM 1277 OG1 THR A 83 1.828 4.224 2.783 1.00 0.00 O ATOM 1278 CG2 THR A 83 0.351 5.901 3.568 1.00 0.00 C ATOM 0 H THR A 83 3.897 4.127 3.956 1.00 0.00 H new ATOM 0 HA THR A 83 2.925 6.697 3.657 1.00 0.00 H new ATOM 0 HB THR A 83 1.324 4.436 4.793 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.320 3.426 3.068 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.476 5.258 3.268 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.056 6.490 4.436 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.607 6.569 2.746 1.00 0.00 H new ATOM 1286 N TYR A 84 2.503 5.522 6.758 1.00 0.00 N ATOM 1287 CA TYR A 84 2.328 5.895 8.166 1.00 0.00 C ATOM 1288 C TYR A 84 3.408 6.892 8.573 1.00 0.00 C ATOM 1289 O TYR A 84 3.107 7.971 9.091 1.00 0.00 O ATOM 1290 CB TYR A 84 2.348 4.620 9.065 1.00 0.00 C ATOM 1291 CG TYR A 84 3.118 4.732 10.371 1.00 0.00 C ATOM 1292 CD1 TYR A 84 2.641 5.504 11.421 1.00 0.00 C ATOM 1293 CD2 TYR A 84 4.319 4.058 10.547 1.00 0.00 C ATOM 1294 CE1 TYR A 84 3.339 5.601 12.604 1.00 0.00 C ATOM 1295 CE2 TYR A 84 5.020 4.149 11.726 1.00 0.00 C ATOM 1296 CZ TYR A 84 4.526 4.922 12.751 1.00 0.00 C ATOM 1297 OH TYR A 84 5.225 5.014 13.932 1.00 0.00 O ATOM 0 H TYR A 84 2.569 4.517 6.599 1.00 0.00 H new ATOM 0 HA TYR A 84 1.359 6.377 8.301 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.318 4.348 9.297 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.772 3.799 8.486 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.708 6.037 11.309 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.709 3.451 9.743 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.956 6.207 13.412 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.952 3.617 11.847 1.00 0.00 H new ATOM 0 HH TYR A 84 6.041 4.474 13.872 1.00 0.00 H new ATOM 1307 N THR A 85 4.653 6.536 8.301 1.00 0.00 N ATOM 1308 CA THR A 85 5.795 7.392 8.598 1.00 0.00 C ATOM 1309 C THR A 85 5.558 8.836 8.079 1.00 0.00 C ATOM 1310 O THR A 85 5.511 9.784 8.874 1.00 0.00 O ATOM 1311 CB THR A 85 7.086 6.777 8.006 1.00 0.00 C ATOM 1312 OG1 THR A 85 7.293 5.444 8.498 1.00 0.00 O ATOM 1313 CG2 THR A 85 8.340 7.568 8.310 1.00 0.00 C ATOM 0 H THR A 85 4.903 5.647 7.868 1.00 0.00 H new ATOM 0 HA THR A 85 5.915 7.456 9.680 1.00 0.00 H new ATOM 0 HB THR A 85 6.925 6.787 6.928 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.816 4.807 7.926 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.201 7.072 7.861 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.245 8.573 7.899 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.479 7.629 9.389 1.00 0.00 H new ATOM 1321 N LEU A 86 5.373 8.986 6.767 1.00 0.00 N ATOM 1322 CA LEU A 86 5.130 10.298 6.145 1.00 0.00 C ATOM 1323 C LEU A 86 4.033 11.059 6.861 1.00 0.00 C ATOM 1324 O LEU A 86 4.268 12.140 7.418 1.00 0.00 O ATOM 1325 CB LEU A 86 4.684 10.108 4.705 1.00 0.00 C ATOM 1326 CG LEU A 86 5.697 10.395 3.582 1.00 0.00 C ATOM 1327 CD1 LEU A 86 6.792 11.358 4.022 1.00 0.00 C ATOM 1328 CD2 LEU A 86 6.286 9.113 3.050 1.00 0.00 C ATOM 0 H LEU A 86 5.386 8.210 6.105 1.00 0.00 H new ATOM 0 HA LEU A 86 6.062 10.860 6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.349 9.077 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.815 10.745 4.539 1.00 0.00 H new ATOM 0 HG LEU A 86 5.150 10.885 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.481 11.528 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.344 12.305 4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.335 10.931 4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.999 9.341 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.796 8.585 3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.490 8.485 2.652 1.00 0.00 H new ATOM 1340 N PHE A 87 2.815 10.508 6.781 1.00 0.00 N ATOM 1341 CA PHE A 87 1.613 11.138 7.326 1.00 0.00 C ATOM 1342 C PHE A 87 1.662 11.371 8.826 1.00 0.00 C ATOM 1343 O PHE A 87 0.848 12.131 9.360 1.00 0.00 O ATOM 1344 CB PHE A 87 0.367 10.373 6.910 1.00 0.00 C ATOM 1345 CG PHE A 87 0.112 10.484 5.427 1.00 0.00 C ATOM 1346 CD1 PHE A 87 -0.185 11.710 4.855 1.00 0.00 C ATOM 1347 CD2 PHE A 87 0.212 9.377 4.605 1.00 0.00 C ATOM 1348 CE1 PHE A 87 -0.381 11.828 3.500 1.00 0.00 C ATOM 1349 CE2 PHE A 87 0.022 9.491 3.242 1.00 0.00 C ATOM 1350 CZ PHE A 87 -0.276 10.718 2.691 1.00 0.00 C ATOM 0 H PHE A 87 2.638 9.608 6.334 1.00 0.00 H new ATOM 0 HA PHE A 87 1.569 12.136 6.890 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.477 9.323 7.183 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.495 10.756 7.457 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.264 12.585 5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.441 8.413 5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.617 12.790 3.070 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.107 8.620 2.609 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.427 10.810 1.626 1.00 0.00 H new ATOM 1360 N SER A 88 2.641 10.792 9.494 1.00 0.00 N ATOM 1361 CA SER A 88 2.829 11.041 10.904 1.00 0.00 C ATOM 1362 C SER A 88 3.392 12.474 11.141 1.00 0.00 C ATOM 1363 O SER A 88 3.361 12.986 12.276 1.00 0.00 O ATOM 1364 CB SER A 88 3.778 10.009 11.467 1.00 0.00 C ATOM 1365 OG SER A 88 3.183 8.712 11.491 1.00 0.00 O ATOM 0 H SER A 88 3.315 10.148 9.081 1.00 0.00 H new ATOM 0 HA SER A 88 1.866 10.969 11.410 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.687 9.983 10.866 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.071 10.295 12.477 1.00 0.00 H new ATOM 0 HG SER A 88 3.468 8.207 10.701 1.00 0.00 H new ATOM 1371 N SER A 89 3.876 13.122 10.068 1.00 0.00 N ATOM 1372 CA SER A 89 4.417 14.476 10.140 1.00 0.00 C ATOM 1373 C SER A 89 3.388 15.492 9.634 1.00 0.00 C ATOM 1374 O SER A 89 2.626 15.200 8.705 1.00 0.00 O ATOM 1375 CB SER A 89 5.691 14.568 9.279 1.00 0.00 C ATOM 1376 OG SER A 89 6.360 13.296 9.199 1.00 0.00 O ATOM 0 H SER A 89 3.900 12.717 9.132 1.00 0.00 H new ATOM 0 HA SER A 89 4.655 14.703 11.179 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.431 14.909 8.277 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.367 15.311 9.703 1.00 0.00 H new ATOM 0 HG SER A 89 5.884 12.715 8.570 1.00 0.00 H new ATOM 1382 N TYR A 90 3.417 16.705 10.194 1.00 0.00 N ATOM 1383 CA TYR A 90 2.534 17.789 9.724 1.00 0.00 C ATOM 1384 C TYR A 90 2.910 18.165 8.280 1.00 0.00 C ATOM 1385 O TYR A 90 2.041 18.382 7.432 1.00 0.00 O ATOM 1386 CB TYR A 90 2.637 19.026 10.638 1.00 0.00 C ATOM 1387 CG TYR A 90 1.303 19.576 11.109 1.00 0.00 C ATOM 1388 CD1 TYR A 90 0.296 19.887 10.207 1.00 0.00 C ATOM 1389 CD2 TYR A 90 1.059 19.798 12.457 1.00 0.00 C ATOM 1390 CE1 TYR A 90 -0.908 20.399 10.630 1.00 0.00 C ATOM 1391 CE2 TYR A 90 -0.142 20.313 12.888 1.00 0.00 C ATOM 1392 CZ TYR A 90 -1.122 20.611 11.972 1.00 0.00 C ATOM 1393 OH TYR A 90 -2.315 21.137 12.404 1.00 0.00 O ATOM 0 H TYR A 90 4.033 16.964 10.965 1.00 0.00 H new ATOM 0 HA TYR A 90 1.503 17.436 9.754 1.00 0.00 H new ATOM 0 HB2 TYR A 90 3.237 18.768 11.510 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.171 19.812 10.105 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.461 19.724 9.152 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.825 19.562 13.181 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.681 20.633 9.913 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.314 20.482 13.941 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.041 20.820 11.827 1.00 0.00 H new ATOM 1403 N GLY A 91 4.210 18.182 7.999 1.00 0.00 N ATOM 1404 CA GLY A 91 4.695 18.434 6.665 1.00 0.00 C ATOM 1405 C GLY A 91 5.337 17.184 6.107 1.00 0.00 C ATOM 1406 O GLY A 91 5.969 16.424 6.857 1.00 0.00 O ATOM 0 H GLY A 91 4.943 18.022 8.690 1.00 0.00 H new ATOM 0 HA2 GLY A 91 3.872 18.749 6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.418 19.250 6.679 1.00 0.00 H new ATOM 1410 N ILE A 92 5.141 16.926 4.823 1.00 0.00 N ATOM 1411 CA ILE A 92 5.675 15.716 4.208 1.00 0.00 C ATOM 1412 C ILE A 92 7.189 15.805 4.016 1.00 0.00 C ATOM 1413 O ILE A 92 7.710 16.802 3.500 1.00 0.00 O ATOM 1414 CB ILE A 92 4.964 15.375 2.870 1.00 0.00 C ATOM 1415 CG1 ILE A 92 3.458 15.242 3.103 1.00 0.00 C ATOM 1416 CG2 ILE A 92 5.507 14.075 2.283 1.00 0.00 C ATOM 1417 CD1 ILE A 92 3.092 14.215 4.165 1.00 0.00 C ATOM 0 H ILE A 92 4.620 17.532 4.189 1.00 0.00 H new ATOM 0 HA ILE A 92 5.471 14.899 4.900 1.00 0.00 H new ATOM 0 HB ILE A 92 5.156 16.183 2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.057 16.213 3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.977 14.968 2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.994 13.857 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.576 14.179 2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.339 13.260 2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.008 14.176 4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.462 13.234 3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.544 14.498 5.116 1.00 0.00 H new ATOM 1429 N ASN A 93 7.881 14.758 4.435 1.00 0.00 N ATOM 1430 CA ASN A 93 9.340 14.700 4.347 1.00 0.00 C ATOM 1431 C ASN A 93 9.772 14.056 3.042 1.00 0.00 C ATOM 1432 O ASN A 93 9.456 12.884 2.789 1.00 0.00 O ATOM 1433 CB ASN A 93 9.918 13.934 5.546 1.00 0.00 C ATOM 1434 CG ASN A 93 9.337 14.422 6.859 1.00 0.00 C ATOM 1435 OD1 ASN A 93 9.509 15.587 7.224 1.00 0.00 O ATOM 1436 ND2 ASN A 93 8.634 13.561 7.562 1.00 0.00 N ATOM 0 H ASN A 93 7.455 13.926 4.844 1.00 0.00 H new ATOM 0 HA ASN A 93 9.728 15.718 4.369 1.00 0.00 H new ATOM 0 HB2 ASN A 93 9.712 12.870 5.431 1.00 0.00 H new ATOM 0 HB3 ASN A 93 11.002 14.049 5.563 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.208 13.849 8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.514 12.605 7.226 1.00 0.00 H new ATOM 1443 N ASP A 94 10.452 14.841 2.193 1.00 0.00 N ATOM 1444 CA ASP A 94 10.896 14.382 0.854 1.00 0.00 C ATOM 1445 C ASP A 94 11.539 12.995 0.872 1.00 0.00 C ATOM 1446 O ASP A 94 11.141 12.131 0.096 1.00 0.00 O ATOM 1447 CB ASP A 94 11.869 15.383 0.190 1.00 0.00 C ATOM 1448 CG ASP A 94 11.210 16.613 -0.361 1.00 0.00 C ATOM 1449 OD1 ASP A 94 9.986 16.623 -0.550 1.00 0.00 O ATOM 1450 OD2 ASP A 94 11.920 17.591 -0.600 1.00 0.00 O ATOM 0 H ASP A 94 10.711 15.804 2.406 1.00 0.00 H new ATOM 0 HA ASP A 94 9.982 14.321 0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.618 15.684 0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.398 14.876 -0.617 1.00 0.00 H new ATOM 1455 N PRO A 95 12.596 12.769 1.718 1.00 0.00 N ATOM 1456 CA PRO A 95 13.303 11.475 1.757 1.00 0.00 C ATOM 1457 C PRO A 95 12.349 10.300 1.974 1.00 0.00 C ATOM 1458 O PRO A 95 12.233 9.417 1.103 1.00 0.00 O ATOM 1459 CB PRO A 95 14.279 11.624 2.927 1.00 0.00 C ATOM 1460 CG PRO A 95 14.488 13.097 3.069 1.00 0.00 C ATOM 1461 CD PRO A 95 13.200 13.752 2.658 1.00 0.00 C ATOM 0 HA PRO A 95 13.802 11.254 0.814 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.869 11.193 3.841 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.219 11.109 2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 95 14.744 13.355 4.097 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.312 13.434 2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.553 13.938 3.515 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.375 14.714 2.176 1.00 0.00 H new ATOM 1469 N GLU A 96 11.623 10.310 3.106 1.00 0.00 N ATOM 1470 CA GLU A 96 10.643 9.259 3.388 1.00 0.00 C ATOM 1471 C GLU A 96 9.624 9.187 2.260 1.00 0.00 C ATOM 1472 O GLU A 96 9.307 8.106 1.775 1.00 0.00 O ATOM 1473 CB GLU A 96 9.917 9.462 4.740 1.00 0.00 C ATOM 1474 CG GLU A 96 10.580 10.417 5.733 1.00 0.00 C ATOM 1475 CD GLU A 96 9.863 10.450 7.040 1.00 0.00 C ATOM 1476 OE1 GLU A 96 8.695 10.850 7.066 1.00 0.00 O ATOM 1477 OE2 GLU A 96 10.463 10.070 8.050 1.00 0.00 O ATOM 0 H GLU A 96 11.698 11.026 3.829 1.00 0.00 H new ATOM 0 HA GLU A 96 11.193 8.320 3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.911 9.827 4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.812 8.489 5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.614 10.112 5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.606 11.421 5.308 1.00 0.00 H new ATOM 1484 N LEU A 97 9.140 10.361 1.817 1.00 0.00 N ATOM 1485 CA LEU A 97 8.190 10.433 0.711 1.00 0.00 C ATOM 1486 C LEU A 97 8.724 9.681 -0.494 1.00 0.00 C ATOM 1487 O LEU A 97 8.081 8.766 -0.991 1.00 0.00 O ATOM 1488 CB LEU A 97 7.881 11.885 0.335 1.00 0.00 C ATOM 1489 CG LEU A 97 6.992 12.077 -0.896 1.00 0.00 C ATOM 1490 CD1 LEU A 97 5.569 11.632 -0.616 1.00 0.00 C ATOM 1491 CD2 LEU A 97 7.018 13.518 -1.340 1.00 0.00 C ATOM 0 H LEU A 97 9.395 11.266 2.212 1.00 0.00 H new ATOM 0 HA LEU A 97 7.261 9.965 1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.400 12.367 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.824 12.405 0.164 1.00 0.00 H new ATOM 0 HG LEU A 97 7.386 11.455 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.960 11.780 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.565 10.576 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.159 12.220 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.381 13.640 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.652 14.154 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.040 13.803 -1.591 1.00 0.00 H new ATOM 1503 N GLN A 98 9.902 10.064 -0.965 1.00 0.00 N ATOM 1504 CA GLN A 98 10.502 9.403 -2.108 1.00 0.00 C ATOM 1505 C GLN A 98 10.753 7.926 -1.848 1.00 0.00 C ATOM 1506 O GLN A 98 10.580 7.105 -2.746 1.00 0.00 O ATOM 1507 CB GLN A 98 11.751 10.140 -2.572 1.00 0.00 C ATOM 1508 CG GLN A 98 11.409 11.475 -3.202 1.00 0.00 C ATOM 1509 CD GLN A 98 10.337 11.338 -4.242 1.00 0.00 C ATOM 1510 OE1 GLN A 98 10.362 10.407 -5.057 1.00 0.00 O ATOM 1511 NE2 GLN A 98 9.381 12.204 -4.210 1.00 0.00 N ATOM 0 H GLN A 98 10.457 10.825 -0.574 1.00 0.00 H new ATOM 0 HA GLN A 98 9.785 9.443 -2.928 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.418 10.297 -1.724 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.291 9.525 -3.292 1.00 0.00 H new ATOM 0 HG2 GLN A 98 11.079 12.169 -2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.303 11.904 -3.655 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.398 12.957 -3.522 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.609 12.136 -4.873 1.00 0.00 H new ATOM 1520 N ARG A 99 11.040 7.575 -0.596 1.00 0.00 N ATOM 1521 CA ARG A 99 11.171 6.193 -0.204 1.00 0.00 C ATOM 1522 C ARG A 99 9.819 5.501 -0.404 1.00 0.00 C ATOM 1523 O ARG A 99 9.721 4.524 -1.141 1.00 0.00 O ATOM 1524 CB ARG A 99 11.608 6.103 1.272 1.00 0.00 C ATOM 1525 CG ARG A 99 12.340 4.837 1.615 1.00 0.00 C ATOM 1526 CD ARG A 99 11.387 3.659 1.660 1.00 0.00 C ATOM 1527 NE ARG A 99 11.993 2.417 1.164 1.00 0.00 N ATOM 1528 CZ ARG A 99 11.552 1.178 1.474 1.00 0.00 C ATOM 1529 NH1 ARG A 99 10.422 1.018 2.168 1.00 0.00 N ATOM 1530 NH2 ARG A 99 12.217 0.111 1.045 1.00 0.00 N ATOM 0 H ARG A 99 11.185 8.242 0.162 1.00 0.00 H new ATOM 0 HA ARG A 99 11.929 5.701 -0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.247 6.955 1.504 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.726 6.184 1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.120 4.651 0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.834 4.948 2.580 1.00 0.00 H new ATOM 0 HD2 ARG A 99 11.050 3.509 2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 99 10.503 3.890 1.065 1.00 0.00 H new ATOM 0 HE ARG A 99 12.800 2.495 0.545 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.887 1.834 2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.094 0.080 2.399 1.00 0.00 H new ATOM 0 HH21 ARG A 99 13.060 0.228 0.482 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.885 -0.825 1.278 1.00 0.00 H new ATOM 1544 N TRP A 100 8.770 6.112 0.166 1.00 0.00 N ATOM 1545 CA TRP A 100 7.372 5.661 0.020 1.00 0.00 C ATOM 1546 C TRP A 100 7.084 5.391 -1.449 1.00 0.00 C ATOM 1547 O TRP A 100 6.542 4.338 -1.821 1.00 0.00 O ATOM 1548 CB TRP A 100 6.440 6.777 0.552 1.00 0.00 C ATOM 1549 CG TRP A 100 4.978 6.474 0.554 1.00 0.00 C ATOM 1550 CD1 TRP A 100 4.338 5.583 1.336 1.00 0.00 C ATOM 1551 CD2 TRP A 100 3.969 7.093 -0.260 1.00 0.00 C ATOM 1552 NE1 TRP A 100 2.998 5.609 1.077 1.00 0.00 N ATOM 1553 CE2 TRP A 100 2.741 6.522 0.102 1.00 0.00 C ATOM 1554 CE3 TRP A 100 3.990 8.073 -1.254 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 1.536 6.897 -0.492 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 2.798 8.444 -1.847 1.00 0.00 C ATOM 1557 CH2 TRP A 100 1.585 7.856 -1.463 1.00 0.00 C ATOM 0 H TRP A 100 8.866 6.943 0.749 1.00 0.00 H new ATOM 0 HA TRP A 100 7.204 4.744 0.585 1.00 0.00 H new ATOM 0 HB2 TRP A 100 6.741 7.017 1.572 1.00 0.00 H new ATOM 0 HB3 TRP A 100 6.603 7.673 -0.047 1.00 0.00 H new ATOM 0 HD1 TRP A 100 4.816 4.942 2.062 1.00 0.00 H new ATOM 0 HE1 TRP A 100 2.297 5.033 1.543 1.00 0.00 H new ATOM 0 HE3 TRP A 100 4.920 8.533 -1.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 0.600 6.446 -0.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 2.801 9.199 -2.619 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.670 8.168 -1.945 1.00 0.00 H new ATOM 1568 N GLN A 101 7.495 6.340 -2.281 1.00 0.00 N ATOM 1569 CA GLN A 101 7.344 6.240 -3.718 1.00 0.00 C ATOM 1570 C GLN A 101 8.123 5.045 -4.262 1.00 0.00 C ATOM 1571 O GLN A 101 7.538 4.162 -4.882 1.00 0.00 O ATOM 1572 CB GLN A 101 7.780 7.540 -4.383 1.00 0.00 C ATOM 1573 CG GLN A 101 7.174 8.761 -3.710 1.00 0.00 C ATOM 1574 CD GLN A 101 5.902 9.217 -4.344 1.00 0.00 C ATOM 1575 OE1 GLN A 101 5.225 8.448 -5.044 1.00 0.00 O ATOM 1576 NE2 GLN A 101 5.532 10.426 -4.079 1.00 0.00 N ATOM 0 H GLN A 101 7.944 7.202 -1.972 1.00 0.00 H new ATOM 0 HA GLN A 101 6.292 6.077 -3.951 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.867 7.614 -4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.489 7.524 -5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.987 8.533 -2.661 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.897 9.577 -3.735 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.120 11.024 -3.499 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.651 10.783 -4.450 1.00 0.00 H new ATOM 1585 N LYS A 102 9.430 4.972 -3.953 1.00 0.00 N ATOM 1586 CA LYS A 102 10.255 3.829 -4.366 1.00 0.00 C ATOM 1587 C LYS A 102 9.569 2.516 -3.998 1.00 0.00 C ATOM 1588 O LYS A 102 9.463 1.605 -4.843 1.00 0.00 O ATOM 1589 CB LYS A 102 11.646 3.900 -3.727 1.00 0.00 C ATOM 1590 CG LYS A 102 12.483 5.067 -4.203 1.00 0.00 C ATOM 1591 CD LYS A 102 13.621 5.337 -3.246 1.00 0.00 C ATOM 1592 CE LYS A 102 13.932 6.818 -3.164 1.00 0.00 C ATOM 1593 NZ LYS A 102 14.496 7.370 -4.436 1.00 0.00 N ATOM 0 H LYS A 102 9.931 5.685 -3.424 1.00 0.00 H new ATOM 0 HA LYS A 102 10.374 3.870 -5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.534 3.964 -2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 102 12.179 2.973 -3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.879 4.855 -5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.858 5.956 -4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.363 4.962 -2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.509 4.794 -3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.021 7.361 -2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.641 6.990 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.688 8.385 -4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 15.381 6.875 -4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.811 7.234 -5.207 1.00 0.00 H new ATOM 1607 N THR A 103 9.072 2.441 -2.765 1.00 0.00 N ATOM 1608 CA THR A 103 8.357 1.276 -2.284 1.00 0.00 C ATOM 1609 C THR A 103 7.148 0.957 -3.185 1.00 0.00 C ATOM 1610 O THR A 103 6.997 -0.194 -3.640 1.00 0.00 O ATOM 1611 CB THR A 103 7.936 1.478 -0.812 1.00 0.00 C ATOM 1612 OG1 THR A 103 8.997 2.068 -0.074 1.00 0.00 O ATOM 1613 CG2 THR A 103 7.555 0.195 -0.103 1.00 0.00 C ATOM 0 H THR A 103 9.157 3.189 -2.077 1.00 0.00 H new ATOM 0 HA THR A 103 9.024 0.415 -2.327 1.00 0.00 H new ATOM 0 HB THR A 103 7.057 2.122 -0.851 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.671 2.335 0.811 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.271 0.418 0.926 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.715 -0.270 -0.618 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.405 -0.488 -0.105 1.00 0.00 H new ATOM 1621 N LYS A 104 6.293 1.966 -3.476 1.00 0.00 N ATOM 1622 CA LYS A 104 5.141 1.704 -4.345 1.00 0.00 C ATOM 1623 C LYS A 104 5.563 1.272 -5.732 1.00 0.00 C ATOM 1624 O LYS A 104 5.005 0.309 -6.250 1.00 0.00 O ATOM 1625 CB LYS A 104 4.090 2.842 -4.406 1.00 0.00 C ATOM 1626 CG LYS A 104 4.599 4.226 -4.798 1.00 0.00 C ATOM 1627 CD LYS A 104 4.855 4.315 -6.301 1.00 0.00 C ATOM 1628 CE LYS A 104 4.188 5.530 -6.941 1.00 0.00 C ATOM 1629 NZ LYS A 104 5.043 6.753 -6.909 1.00 0.00 N ATOM 0 H LYS A 104 6.378 2.924 -3.136 1.00 0.00 H new ATOM 0 HA LYS A 104 4.628 0.872 -3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.315 2.551 -5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.615 2.919 -3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.869 4.981 -4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.519 4.445 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.929 4.359 -6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.488 3.408 -6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.938 5.296 -7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.250 5.736 -6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.557 7.529 -7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.220 7.027 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.949 6.556 -7.381 1.00 0.00 H new ATOM 1643 N GLU A 105 6.572 1.950 -6.333 1.00 0.00 N ATOM 1644 CA GLU A 105 7.035 1.551 -7.671 1.00 0.00 C ATOM 1645 C GLU A 105 7.268 0.045 -7.683 1.00 0.00 C ATOM 1646 O GLU A 105 6.627 -0.680 -8.445 1.00 0.00 O ATOM 1647 CB GLU A 105 8.331 2.270 -8.116 1.00 0.00 C ATOM 1648 CG GLU A 105 8.512 3.738 -7.694 1.00 0.00 C ATOM 1649 CD GLU A 105 7.431 4.682 -8.168 1.00 0.00 C ATOM 1650 OE1 GLU A 105 6.646 4.324 -9.058 1.00 0.00 O ATOM 1651 OE2 GLU A 105 7.362 5.803 -7.647 1.00 0.00 O ATOM 0 H GLU A 105 7.061 2.746 -5.925 1.00 0.00 H new ATOM 0 HA GLU A 105 6.258 1.841 -8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.179 1.703 -7.731 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.384 2.224 -9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.560 3.783 -6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.472 4.092 -8.070 1.00 0.00 H new ATOM 1658 N ARG A 106 8.108 -0.423 -6.739 1.00 0.00 N ATOM 1659 CA ARG A 106 8.368 -1.858 -6.561 1.00 0.00 C ATOM 1660 C ARG A 106 7.049 -2.638 -6.472 1.00 0.00 C ATOM 1661 O ARG A 106 6.826 -3.568 -7.239 1.00 0.00 O ATOM 1662 CB ARG A 106 9.203 -2.114 -5.298 1.00 0.00 C ATOM 1663 CG ARG A 106 10.560 -1.448 -5.293 1.00 0.00 C ATOM 1664 CD ARG A 106 11.305 -1.777 -4.011 1.00 0.00 C ATOM 1665 NE ARG A 106 11.580 -3.224 -3.853 1.00 0.00 N ATOM 1666 CZ ARG A 106 11.532 -3.906 -2.669 1.00 0.00 C ATOM 1667 NH1 ARG A 106 11.240 -3.259 -1.521 1.00 0.00 N ATOM 1668 NH2 ARG A 106 11.808 -5.213 -2.648 1.00 0.00 N ATOM 0 H ARG A 106 8.617 0.176 -6.089 1.00 0.00 H new ATOM 0 HA ARG A 106 8.931 -2.203 -7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.640 -1.768 -4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.340 -3.189 -5.181 1.00 0.00 H new ATOM 0 HG2 ARG A 106 11.139 -1.782 -6.154 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.443 -0.368 -5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.248 -1.230 -3.995 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.721 -1.429 -3.159 1.00 0.00 H new ATOM 0 HE ARG A 106 11.824 -3.752 -4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.054 -2.256 -1.534 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.206 -3.773 -0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.053 -5.696 -3.512 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.774 -5.727 -1.768 1.00 0.00 H new ATOM 1682 N LEU A 107 6.165 -2.211 -5.562 1.00 0.00 N ATOM 1683 CA LEU A 107 4.838 -2.841 -5.379 1.00 0.00 C ATOM 1684 C LEU A 107 4.093 -2.979 -6.711 1.00 0.00 C ATOM 1685 O LEU A 107 3.531 -4.041 -7.026 1.00 0.00 O ATOM 1686 CB LEU A 107 3.962 -1.988 -4.441 1.00 0.00 C ATOM 1687 CG LEU A 107 3.829 -2.458 -2.993 1.00 0.00 C ATOM 1688 CD1 LEU A 107 4.742 -1.664 -2.093 1.00 0.00 C ATOM 1689 CD2 LEU A 107 2.394 -2.317 -2.523 1.00 0.00 C ATOM 0 H LEU A 107 6.340 -1.427 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 107 5.014 -3.829 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.363 -0.975 -4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.962 -1.931 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 107 4.116 -3.508 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.634 -2.013 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.775 -1.797 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.478 -0.608 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.315 -2.656 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.091 -1.272 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.743 -2.922 -3.154 1.00 0.00 H new ATOM 1701 N PHE A 108 4.097 -1.903 -7.491 1.00 0.00 N ATOM 1702 CA PHE A 108 3.401 -1.866 -8.762 1.00 0.00 C ATOM 1703 C PHE A 108 4.048 -2.787 -9.746 1.00 0.00 C ATOM 1704 O PHE A 108 3.355 -3.386 -10.560 1.00 0.00 O ATOM 1705 CB PHE A 108 3.281 -0.440 -9.324 1.00 0.00 C ATOM 1706 CG PHE A 108 2.148 0.371 -8.719 1.00 0.00 C ATOM 1707 CD1 PHE A 108 2.185 0.746 -7.390 1.00 0.00 C ATOM 1708 CD2 PHE A 108 1.053 0.763 -9.484 1.00 0.00 C ATOM 1709 CE1 PHE A 108 1.177 1.488 -6.833 1.00 0.00 C ATOM 1710 CE2 PHE A 108 0.033 1.515 -8.923 1.00 0.00 C ATOM 1711 CZ PHE A 108 0.102 1.874 -7.600 1.00 0.00 C ATOM 0 H PHE A 108 4.583 -1.037 -7.256 1.00 0.00 H new ATOM 0 HA PHE A 108 2.384 -2.214 -8.583 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.221 0.086 -9.155 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.137 -0.497 -10.403 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.024 0.449 -6.779 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.998 0.478 -10.524 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.226 1.770 -5.792 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.812 1.817 -9.524 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.690 2.461 -7.160 1.00 0.00 H new ATOM 1721 N ARG A 109 5.365 -2.978 -9.631 1.00 0.00 N ATOM 1722 CA ARG A 109 6.056 -3.941 -10.473 1.00 0.00 C ATOM 1723 C ARG A 109 5.396 -5.301 -10.288 1.00 0.00 C ATOM 1724 O ARG A 109 4.985 -5.926 -11.266 1.00 0.00 O ATOM 1725 CB ARG A 109 7.554 -4.023 -10.129 1.00 0.00 C ATOM 1726 CG ARG A 109 8.241 -2.668 -10.012 1.00 0.00 C ATOM 1727 CD ARG A 109 9.057 -2.341 -11.261 1.00 0.00 C ATOM 1728 NE ARG A 109 10.425 -2.889 -11.183 1.00 0.00 N ATOM 1729 CZ ARG A 109 11.497 -2.238 -10.671 1.00 0.00 C ATOM 1730 NH1 ARG A 109 11.365 -0.992 -10.201 1.00 0.00 N ATOM 1731 NH2 ARG A 109 12.686 -2.837 -10.637 1.00 0.00 N ATOM 0 H ARG A 109 5.963 -2.482 -8.970 1.00 0.00 H new ATOM 0 HA ARG A 109 5.983 -3.622 -11.513 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.671 -4.560 -9.188 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.060 -4.610 -10.895 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.492 -1.892 -9.853 1.00 0.00 H new ATOM 0 HG3 ARG A 109 8.894 -2.665 -9.139 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.554 -2.745 -12.140 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.106 -1.260 -11.390 1.00 0.00 H new ATOM 0 HE ARG A 109 10.575 -3.832 -11.543 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.456 -0.530 -10.228 1.00 0.00 H new ATOM 0 HH12 ARG A 109 12.174 -0.504 -9.816 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.789 -3.786 -10.996 1.00 0.00 H new ATOM 0 HH22 ARG A 109 13.493 -2.347 -10.252 1.00 0.00 H new ATOM 1745 N LEU A 110 5.206 -5.705 -9.020 1.00 0.00 N ATOM 1746 CA LEU A 110 4.534 -6.913 -8.689 1.00 0.00 C ATOM 1747 C LEU A 110 3.077 -6.887 -9.187 1.00 0.00 C ATOM 1748 O LEU A 110 2.624 -7.815 -9.891 1.00 0.00 O ATOM 1749 CB LEU A 110 4.583 -7.073 -7.173 1.00 0.00 C ATOM 1750 CG LEU A 110 5.953 -7.465 -6.613 1.00 0.00 C ATOM 1751 CD1 LEU A 110 6.857 -6.285 -6.441 1.00 0.00 C ATOM 1752 CD2 LEU A 110 5.868 -8.265 -5.336 1.00 0.00 C ATOM 0 H LEU A 110 5.528 -5.177 -8.209 1.00 0.00 H new ATOM 0 HA LEU A 110 5.023 -7.758 -9.174 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.273 -6.135 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.855 -7.829 -6.878 1.00 0.00 H new ATOM 0 HG LEU A 110 6.393 -8.117 -7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.816 -6.616 -6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.013 -5.803 -7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.402 -5.575 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.873 -8.510 -4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.357 -7.679 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.313 -9.185 -5.519 1.00 0.00 H new ATOM 1764 N PHE A 111 2.344 -5.841 -8.788 1.00 0.00 N ATOM 1765 CA PHE A 111 0.918 -5.683 -9.128 1.00 0.00 C ATOM 1766 C PHE A 111 0.649 -5.565 -10.640 1.00 0.00 C ATOM 1767 O PHE A 111 -0.440 -5.911 -11.092 1.00 0.00 O ATOM 1768 CB PHE A 111 0.307 -4.472 -8.412 1.00 0.00 C ATOM 1769 CG PHE A 111 0.205 -4.590 -6.906 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -0.140 -5.791 -6.295 1.00 0.00 C ATOM 1771 CD2 PHE A 111 0.429 -3.487 -6.107 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -0.255 -5.880 -4.921 1.00 0.00 C ATOM 1773 CE2 PHE A 111 0.319 -3.572 -4.737 1.00 0.00 C ATOM 1774 CZ PHE A 111 -0.023 -4.767 -4.140 1.00 0.00 C ATOM 0 H PHE A 111 2.718 -5.080 -8.221 1.00 0.00 H new ATOM 0 HA PHE A 111 0.441 -6.601 -8.784 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.903 -3.591 -8.651 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.691 -4.299 -8.814 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.320 -6.665 -6.903 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.694 -2.544 -6.563 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -0.526 -6.818 -4.460 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.501 -2.699 -4.128 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.109 -4.831 -3.065 1.00 0.00 H new ATOM 1784 N SER A 112 1.607 -5.052 -11.415 1.00 0.00 N ATOM 1785 CA SER A 112 1.387 -4.849 -12.865 1.00 0.00 C ATOM 1786 C SER A 112 1.396 -6.168 -13.672 1.00 0.00 C ATOM 1787 O SER A 112 1.143 -6.152 -14.891 1.00 0.00 O ATOM 1788 CB SER A 112 2.404 -3.850 -13.459 1.00 0.00 C ATOM 1789 OG SER A 112 2.425 -2.609 -12.728 1.00 0.00 O ATOM 0 H SER A 112 2.529 -4.771 -11.080 1.00 0.00 H new ATOM 0 HA SER A 112 0.386 -4.426 -12.955 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.399 -4.295 -13.448 1.00 0.00 H new ATOM 0 HB3 SER A 112 2.154 -3.653 -14.502 1.00 0.00 H new ATOM 0 HG SER A 112 3.138 -2.637 -12.057 1.00 0.00 H new ATOM 1795 N GLY A 113 1.577 -7.313 -12.999 1.00 0.00 N ATOM 1796 CA GLY A 113 1.502 -8.580 -13.695 1.00 0.00 C ATOM 1797 C GLY A 113 2.673 -9.489 -13.481 1.00 0.00 C ATOM 1798 O GLY A 113 3.064 -10.208 -14.402 1.00 0.00 O ATOM 0 H GLY A 113 1.771 -7.377 -12.000 1.00 0.00 H new ATOM 0 HA2 GLY A 113 0.596 -9.098 -13.379 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.402 -8.386 -14.763 1.00 0.00 H new ATOM 1802 N GLU A 114 3.178 -9.556 -12.247 1.00 0.00 N ATOM 1803 CA GLU A 114 4.228 -10.501 -11.937 1.00 0.00 C ATOM 1804 C GLU A 114 3.588 -11.871 -11.641 1.00 0.00 C ATOM 1805 O GLU A 114 3.335 -12.667 -12.552 1.00 0.00 O ATOM 1806 CB GLU A 114 5.088 -10.018 -10.740 1.00 0.00 C ATOM 1807 CG GLU A 114 6.143 -8.972 -11.097 1.00 0.00 C ATOM 1808 CD GLU A 114 7.068 -9.441 -12.181 1.00 0.00 C ATOM 1809 OE1 GLU A 114 7.610 -10.543 -12.064 1.00 0.00 O ATOM 1810 OE2 GLU A 114 7.242 -8.722 -13.161 1.00 0.00 O ATOM 0 H GLU A 114 2.877 -8.974 -11.465 1.00 0.00 H new ATOM 0 HA GLU A 114 4.898 -10.587 -12.792 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.427 -9.604 -9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.586 -10.880 -10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.648 -8.055 -11.417 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.724 -8.727 -10.208 1.00 0.00 H new ATOM 1817 N TYR A 115 3.281 -12.099 -10.377 1.00 0.00 N ATOM 1818 CA TYR A 115 2.624 -13.330 -9.903 1.00 0.00 C ATOM 1819 C TYR A 115 1.098 -13.203 -9.918 1.00 0.00 C ATOM 1820 O TYR A 115 0.393 -14.207 -9.901 1.00 0.00 O ATOM 1821 CB TYR A 115 3.125 -13.729 -8.484 1.00 0.00 C ATOM 1822 CG TYR A 115 4.277 -12.877 -8.020 1.00 0.00 C ATOM 1823 CD1 TYR A 115 5.579 -13.201 -8.351 1.00 0.00 C ATOM 1824 CD2 TYR A 115 4.048 -11.703 -7.325 1.00 0.00 C ATOM 1825 CE1 TYR A 115 6.620 -12.384 -7.999 1.00 0.00 C ATOM 1826 CE2 TYR A 115 5.078 -10.890 -6.963 1.00 0.00 C ATOM 1827 CZ TYR A 115 6.367 -11.231 -7.306 1.00 0.00 C ATOM 1828 OH TYR A 115 7.403 -10.416 -6.950 1.00 0.00 O ATOM 0 H TYR A 115 3.479 -11.432 -9.631 1.00 0.00 H new ATOM 0 HA TYR A 115 2.898 -14.123 -10.598 1.00 0.00 H new ATOM 0 HB2 TYR A 115 2.303 -13.641 -7.774 1.00 0.00 H new ATOM 0 HB3 TYR A 115 3.430 -14.775 -8.491 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.778 -14.112 -8.895 1.00 0.00 H new ATOM 0 HD2 TYR A 115 3.037 -11.427 -7.066 1.00 0.00 H new ATOM 0 HE1 TYR A 115 7.633 -12.647 -8.266 1.00 0.00 H new ATOM 0 HE2 TYR A 115 4.885 -9.983 -6.410 1.00 0.00 H new ATOM 0 HH TYR A 115 7.938 -10.852 -6.254 1.00 0.00 H new ATOM 1838 N ILE A 116 0.594 -11.956 -9.851 1.00 0.00 N ATOM 1839 CA ILE A 116 -0.851 -11.691 -9.776 1.00 0.00 C ATOM 1840 C ILE A 116 -1.630 -12.504 -10.813 1.00 0.00 C ATOM 1841 O ILE A 116 -2.499 -13.297 -10.457 1.00 0.00 O ATOM 1842 CB ILE A 116 -1.208 -10.168 -9.954 1.00 0.00 C ATOM 1843 CG1 ILE A 116 -0.197 -9.238 -9.256 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -2.601 -9.894 -9.422 1.00 0.00 C ATOM 1845 CD1 ILE A 116 -0.108 -9.448 -7.761 1.00 0.00 C ATOM 0 H ILE A 116 1.171 -11.115 -9.847 1.00 0.00 H new ATOM 0 HA ILE A 116 -1.145 -11.997 -8.772 1.00 0.00 H new ATOM 0 HB ILE A 116 -1.166 -9.955 -11.022 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.789 -9.393 -9.695 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -0.474 -8.202 -9.452 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -2.838 -8.838 -9.550 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -3.325 -10.497 -9.970 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.643 -10.150 -8.363 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.623 -8.758 -7.340 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.083 -9.264 -7.309 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.200 -10.473 -7.555 1.00 0.00 H new ATOM 1857 N SER A 117 -1.311 -12.289 -12.083 1.00 0.00 N ATOM 1858 CA SER A 117 -1.984 -12.966 -13.198 1.00 0.00 C ATOM 1859 C SER A 117 -1.990 -14.497 -13.039 1.00 0.00 C ATOM 1860 O SER A 117 -2.977 -15.163 -13.397 1.00 0.00 O ATOM 1861 CB SER A 117 -1.338 -12.558 -14.528 1.00 0.00 C ATOM 1862 OG SER A 117 -0.183 -11.712 -14.306 1.00 0.00 O ATOM 0 H SER A 117 -0.579 -11.641 -12.375 1.00 0.00 H new ATOM 0 HA SER A 117 -3.026 -12.648 -13.193 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.040 -13.449 -15.080 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.067 -12.031 -15.144 1.00 0.00 H new ATOM 0 HG SER A 117 0.213 -11.466 -15.168 1.00 0.00 H new ATOM 1868 N THR A 118 -0.910 -15.045 -12.491 1.00 0.00 N ATOM 1869 CA THR A 118 -0.810 -16.473 -12.259 1.00 0.00 C ATOM 1870 C THR A 118 -1.592 -16.865 -10.993 1.00 0.00 C ATOM 1871 O THR A 118 -2.218 -17.933 -10.938 1.00 0.00 O ATOM 1872 CB THR A 118 0.676 -16.897 -12.181 1.00 0.00 C ATOM 1873 OG1 THR A 118 1.477 -15.916 -11.492 1.00 0.00 O ATOM 1874 CG2 THR A 118 1.293 -17.078 -13.546 1.00 0.00 C ATOM 0 H THR A 118 -0.089 -14.514 -12.199 1.00 0.00 H new ATOM 0 HA THR A 118 -1.260 -17.008 -13.096 1.00 0.00 H new ATOM 0 HB THR A 118 0.671 -17.843 -11.640 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.970 -15.551 -10.737 1.00 0.00 H new ATOM 0 HG21 THR A 118 2.336 -17.375 -13.437 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.750 -17.850 -14.091 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.239 -16.139 -14.097 1.00 0.00 H new ATOM 1882 N LEU A 119 -1.588 -15.966 -10.002 1.00 0.00 N ATOM 1883 CA LEU A 119 -2.316 -16.164 -8.756 1.00 0.00 C ATOM 1884 C LEU A 119 -3.819 -16.174 -9.016 1.00 0.00 C ATOM 1885 O LEU A 119 -4.495 -17.179 -8.769 1.00 0.00 O ATOM 1886 CB LEU A 119 -1.970 -15.050 -7.748 1.00 0.00 C ATOM 1887 CG LEU A 119 -2.076 -15.443 -6.269 1.00 0.00 C ATOM 1888 CD1 LEU A 119 -1.146 -16.593 -5.943 1.00 0.00 C ATOM 1889 CD2 LEU A 119 -1.787 -14.261 -5.364 1.00 0.00 C ATOM 0 H LEU A 119 -1.079 -15.083 -10.047 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.021 -17.126 -8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.953 -14.710 -7.944 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -2.630 -14.202 -7.929 1.00 0.00 H new ATOM 0 HG LEU A 119 -3.101 -15.767 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.242 -16.851 -4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -1.408 -17.457 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -0.117 -16.300 -6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.870 -14.571 -4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -0.778 -13.895 -5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -2.505 -13.466 -5.564 1.00 0.00 H new ATOM 1901 N MET A 120 -4.322 -15.097 -9.606 1.00 0.00 N ATOM 1902 CA MET A 120 -5.738 -15.009 -9.975 1.00 0.00 C ATOM 1903 C MET A 120 -5.939 -15.602 -11.369 1.00 0.00 C ATOM 1904 O MET A 120 -6.217 -14.879 -12.336 1.00 0.00 O ATOM 1905 CB MET A 120 -6.250 -13.549 -9.906 1.00 0.00 C ATOM 1906 CG MET A 120 -5.289 -12.501 -10.468 1.00 0.00 C ATOM 1907 SD MET A 120 -6.089 -10.929 -10.771 1.00 0.00 S ATOM 1908 CE MET A 120 -6.063 -10.243 -9.129 1.00 0.00 C ATOM 0 H MET A 120 -3.774 -14.269 -9.841 1.00 0.00 H new ATOM 0 HA MET A 120 -6.324 -15.584 -9.258 1.00 0.00 H new ATOM 0 HB2 MET A 120 -7.193 -13.484 -10.449 1.00 0.00 H new ATOM 0 HB3 MET A 120 -6.464 -13.303 -8.866 1.00 0.00 H new ATOM 0 HG2 MET A 120 -4.465 -12.357 -9.769 1.00 0.00 H new ATOM 0 HG3 MET A 120 -4.857 -12.870 -11.398 1.00 0.00 H new ATOM 0 HE1 MET A 120 -7.079 -10.199 -8.737 1.00 0.00 H new ATOM 0 HE2 MET A 120 -5.451 -10.871 -8.482 1.00 0.00 H new ATOM 0 HE3 MET A 120 -5.643 -9.238 -9.161 1.00 0.00 H new ATOM 1918 N LYS A 121 -5.698 -16.909 -11.485 1.00 0.00 N ATOM 1919 CA LYS A 121 -5.741 -17.590 -12.768 1.00 0.00 C ATOM 1920 C LYS A 121 -7.137 -17.603 -13.411 1.00 0.00 C ATOM 1921 O LYS A 121 -7.438 -16.757 -14.265 1.00 0.00 O ATOM 1922 CB LYS A 121 -5.165 -18.986 -12.661 1.00 0.00 C ATOM 1923 CG LYS A 121 -3.826 -19.169 -13.330 1.00 0.00 C ATOM 1924 CD LYS A 121 -3.953 -20.103 -14.478 1.00 0.00 C ATOM 1925 CE LYS A 121 -3.300 -21.437 -14.182 1.00 0.00 C ATOM 1926 NZ LYS A 121 -4.298 -22.534 -14.069 1.00 0.00 N ATOM 0 H LYS A 121 -5.470 -17.515 -10.697 1.00 0.00 H new ATOM 0 HA LYS A 121 -5.113 -17.008 -13.443 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -5.067 -19.244 -11.606 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.873 -19.691 -13.097 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -3.448 -18.206 -13.674 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -3.103 -19.558 -12.613 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -5.007 -20.256 -14.709 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -3.494 -19.660 -15.362 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -2.588 -21.675 -14.972 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -2.734 -21.365 -13.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -3.809 -23.429 -13.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -4.963 -22.320 -13.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -4.821 -22.621 -14.964 1.00 0.00 H new ATOM 1940 N THR A 122 -7.974 -18.574 -13.029 1.00 0.00 N ATOM 1941 CA THR A 122 -9.294 -18.707 -13.610 1.00 0.00 C ATOM 1942 C THR A 122 -10.215 -17.575 -13.139 1.00 0.00 C ATOM 1943 O THR A 122 -10.614 -16.757 -13.967 1.00 0.00 O ATOM 1944 CB THR A 122 -9.887 -20.128 -13.343 1.00 0.00 C ATOM 1945 OG1 THR A 122 -11.262 -20.229 -13.731 1.00 0.00 O ATOM 1946 CG2 THR A 122 -9.783 -20.593 -11.901 1.00 0.00 C ATOM 1947 OXT THR A 122 -10.493 -17.482 -11.939 1.00 0.00 O ATOM 0 H THR A 122 -7.752 -19.273 -12.320 1.00 0.00 H new ATOM 0 HA THR A 122 -9.209 -18.609 -14.692 1.00 0.00 H new ATOM 0 HB THR A 122 -9.264 -20.776 -13.960 1.00 0.00 H new ATOM 0 HG1 THR A 122 -11.588 -21.135 -13.547 1.00 0.00 H new ATOM 0 HG21 THR A 122 -10.219 -21.588 -11.807 1.00 0.00 H new ATOM 0 HG22 THR A 122 -8.735 -20.626 -11.604 1.00 0.00 H new ATOM 0 HG23 THR A 122 -10.321 -19.899 -11.255 1.00 0.00 H new TER 1955 THR A 122