USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 894 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 SER OG : rot -38:sc= 0.462 USER MOD Set 1.2: A 98 SER OG : rot 13:sc= -2.25! USER MOD Set 2.1: A 69 THR OG1 : rot 105:sc= 0.555 USER MOD Set 2.2: A 70 GLN : amide:sc= -1.02 K(o=-0.46,f=-7!) USER MOD Set 3.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 105 SER OG : rot 51:sc= 1.15 USER MOD Set 4.1: A 24 THR OG1 : rot 59:sc= -1.89 USER MOD Set 4.2: A 34 ASN : amide:sc= -2.1 K(o=-3.7,f=-10!) USER MOD Set 4.3: A 37 THR OG1 : rot 180:sc= 0.318 USER MOD Set 5.1: A 26 LYS NZ :NH3+ -130:sc= -0.651 (180deg=0) USER MOD Set 5.2: A 30 ASN :FLIP amide:sc= -1.23 F(o=-6!,f=-1.9) USER MOD Set 6.1: A 9 HIS : no HE2:sc= -10.2! C(o=-10!,f=-12!) USER MOD Set 6.2: A 13 SER OG : rot 85:sc= -0.256 USER MOD Single : A 2 ASN :FLIP amide:sc= -0.451 F(o=-2.1,f=-0.45) USER MOD Single : A 4 SER OG : rot 46:sc= 0.38 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00459 USER MOD Single : A 11 GLN : amide:sc= -8.32! C(o=-8.3!,f=-17!) USER MOD Single : A 17 GLN : amide:sc= -0.336 K(o=-0.34,f=-2.6!) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0408 F(o=-1,f=-0.041) USER MOD Single : A 20 SER OG : rot -36:sc= -3.59! USER MOD Single : A 23 CYS SG : rot 180:sc= -1.13 USER MOD Single : A 35 LYS NZ :NH3+ -152:sc= -1.13 (180deg=-2.1!) USER MOD Single : A 38 THR OG1 : rot -8:sc= 1.85 USER MOD Single : A 40 GLN : amide:sc= -4.43! C(o=-4.4!,f=-4.2!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 140:sc= -0.111 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.485 X(o=-0.48,f=-0.15) USER MOD Single : A 58 THR OG1 : rot -33:sc= -0.361 USER MOD Single : A 61 SER OG : rot 66:sc= 1.16 USER MOD Single : A 62 HIS : no HE2:sc= -22.2! C(o=-22!,f=-23!) USER MOD Single : A 65 ASN : amide:sc= -0.145 X(o=-0.15,f=-0.21) USER MOD Single : A 73 THR OG1 : rot 75:sc= -3.31! USER MOD Single : A 75 LYS NZ :NH3+ -179:sc= -1.28 (180deg=-1.3) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 135:sc= -2.77 USER MOD Single : A 80 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 87 ASN : amide:sc= -4.07! C(o=-4.1!,f=-7.1!) USER MOD Single : A 88 TYR OH : rot 131:sc= 0.498 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.202 F(o=-0.77,f=-0.2) USER MOD Single : A 102 SER OG : rot 139:sc= -0.35! USER MOD Single : A 107 GLN :FLIP amide:sc= -24.5! C(o=-26!,f=-25!) USER MOD Single : A 108 MET CE :methyl -148:sc= -7.06! (180deg=-13.6!) USER MOD Single : A 109 THR OG1 : rot -99:sc= -0.845 USER MOD Single : A 111 GLN :FLIP amide:sc= -0.675 F(o=-3.2!,f=-0.67) USER MOD Single : A 114 LYS NZ :NH3+ 168:sc= -10.2! (180deg=-11.7!) USER MOD Single : A 123 GLN : amide:sc= -3.12 X(o=-3.1,f=-3.5!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -2.628 7.931 -9.795 1.00 0.00 N ATOM 21 CA ASN A 2 -2.777 8.413 -8.426 1.00 0.00 C ATOM 22 C ASN A 2 -1.934 9.672 -8.200 1.00 0.00 C ATOM 23 O ASN A 2 -1.648 10.408 -9.144 1.00 0.00 O ATOM 24 CB ASN A 2 -2.387 7.307 -7.436 1.00 0.00 C ATOM 25 CG ASN A 2 -0.889 7.078 -7.374 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.356 6.971 -6.163 1.00 0.00 O flip ATOM 27 ND2 ASN A 2 -0.218 6.998 -8.403 1.00 0.00 N flip ATOM 0 HA ASN A 2 -3.821 8.677 -8.258 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.752 7.569 -6.443 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.881 6.378 -7.722 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.669 7.086 -9.314 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.789 6.844 -8.345 1.00 0.00 H new ATOM 34 N LEU A 3 -1.539 9.918 -6.951 1.00 0.00 N ATOM 35 CA LEU A 3 -0.731 11.090 -6.625 1.00 0.00 C ATOM 36 C LEU A 3 0.691 10.933 -7.157 1.00 0.00 C ATOM 37 O LEU A 3 1.040 11.482 -8.202 1.00 0.00 O ATOM 38 CB LEU A 3 -0.692 11.317 -5.109 1.00 0.00 C ATOM 39 CG LEU A 3 -2.024 11.698 -4.461 1.00 0.00 C ATOM 40 CD1 LEU A 3 -3.024 10.558 -4.582 1.00 0.00 C ATOM 41 CD2 LEU A 3 -1.810 12.069 -2.999 1.00 0.00 C ATOM 0 H LEU A 3 -1.765 9.324 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.192 11.955 -7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.325 10.408 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.032 12.103 -4.896 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.430 12.564 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.965 10.848 -4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.195 10.334 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.629 9.673 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.765 12.338 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.384 11.219 -2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.127 12.916 -2.935 1.00 0.00 H new ATOM 53 N SER A 4 1.505 10.177 -6.427 1.00 0.00 N ATOM 54 CA SER A 4 2.889 9.935 -6.809 1.00 0.00 C ATOM 55 C SER A 4 3.456 8.773 -6.002 1.00 0.00 C ATOM 56 O SER A 4 2.710 8.032 -5.366 1.00 0.00 O ATOM 57 CB SER A 4 3.727 11.197 -6.589 1.00 0.00 C ATOM 58 OG SER A 4 3.902 11.911 -7.801 1.00 0.00 O ATOM 0 H SER A 4 1.225 9.718 -5.560 1.00 0.00 H new ATOM 0 HA SER A 4 2.924 9.677 -7.867 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.240 11.837 -5.853 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.700 10.925 -6.180 1.00 0.00 H new ATOM 0 HG SER A 4 3.044 11.974 -8.270 1.00 0.00 H new ATOM 64 N LEU A 5 4.772 8.607 -6.030 1.00 0.00 N ATOM 65 CA LEU A 5 5.408 7.523 -5.291 1.00 0.00 C ATOM 66 C LEU A 5 5.906 7.988 -3.936 1.00 0.00 C ATOM 67 O LEU A 5 5.439 7.553 -2.886 1.00 0.00 O ATOM 68 CB LEU A 5 6.598 6.974 -6.076 1.00 0.00 C ATOM 69 CG LEU A 5 6.576 5.488 -6.283 1.00 0.00 C ATOM 70 CD1 LEU A 5 7.678 5.044 -7.231 1.00 0.00 C ATOM 71 CD2 LEU A 5 6.668 4.760 -4.957 1.00 0.00 C ATOM 0 H LEU A 5 5.415 9.203 -6.551 1.00 0.00 H new ATOM 0 HA LEU A 5 4.655 6.748 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.631 7.463 -7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.516 7.242 -5.553 1.00 0.00 H new ATOM 0 HG LEU A 5 5.624 5.229 -6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.634 3.962 -7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.544 5.530 -8.198 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.648 5.321 -6.817 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.650 3.684 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.597 5.032 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.822 5.040 -4.329 1.00 0.00 H new ATOM 83 N SER A 6 6.887 8.859 -3.987 1.00 0.00 N ATOM 84 CA SER A 6 7.519 9.388 -2.801 1.00 0.00 C ATOM 85 C SER A 6 6.555 10.207 -1.946 1.00 0.00 C ATOM 86 O SER A 6 6.593 10.130 -0.718 1.00 0.00 O ATOM 87 CB SER A 6 8.719 10.209 -3.243 1.00 0.00 C ATOM 88 OG SER A 6 8.400 11.587 -3.346 1.00 0.00 O ATOM 0 H SER A 6 7.272 9.223 -4.859 1.00 0.00 H new ATOM 0 HA SER A 6 7.842 8.566 -2.162 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.534 10.076 -2.531 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.075 9.844 -4.207 1.00 0.00 H new ATOM 0 HG SER A 6 9.194 12.086 -3.631 1.00 0.00 H new ATOM 94 N ASP A 7 5.680 10.975 -2.585 1.00 0.00 N ATOM 95 CA ASP A 7 4.714 11.778 -1.839 1.00 0.00 C ATOM 96 C ASP A 7 3.626 10.881 -1.267 1.00 0.00 C ATOM 97 O ASP A 7 3.115 11.125 -0.174 1.00 0.00 O ATOM 98 CB ASP A 7 4.085 12.876 -2.707 1.00 0.00 C ATOM 99 CG ASP A 7 4.912 13.226 -3.931 1.00 0.00 C ATOM 100 OD1 ASP A 7 6.157 13.173 -3.842 1.00 0.00 O ATOM 101 OD2 ASP A 7 4.314 13.556 -4.977 1.00 0.00 O ATOM 0 H ASP A 7 5.618 11.060 -3.600 1.00 0.00 H new ATOM 0 HA ASP A 7 5.251 12.269 -1.027 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.095 12.553 -3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.947 13.772 -2.102 1.00 0.00 H new ATOM 106 N LEU A 8 3.288 9.832 -2.009 1.00 0.00 N ATOM 107 CA LEU A 8 2.273 8.886 -1.570 1.00 0.00 C ATOM 108 C LEU A 8 2.767 8.124 -0.349 1.00 0.00 C ATOM 109 O LEU A 8 2.074 8.039 0.664 1.00 0.00 O ATOM 110 CB LEU A 8 1.928 7.912 -2.695 1.00 0.00 C ATOM 111 CG LEU A 8 0.729 7.005 -2.421 1.00 0.00 C ATOM 112 CD1 LEU A 8 -0.572 7.751 -2.670 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.805 5.758 -3.286 1.00 0.00 C ATOM 0 H LEU A 8 3.702 9.617 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 8 1.372 9.439 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.732 8.483 -3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.799 7.287 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 8 0.753 6.703 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.415 7.089 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.626 8.618 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.609 8.082 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.055 5.120 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.802 6.044 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.722 5.214 -3.060 1.00 0.00 H new ATOM 125 N HIS A 9 3.981 7.588 -0.447 1.00 0.00 N ATOM 126 CA HIS A 9 4.576 6.853 0.660 1.00 0.00 C ATOM 127 C HIS A 9 4.725 7.763 1.866 1.00 0.00 C ATOM 128 O HIS A 9 4.376 7.394 2.986 1.00 0.00 O ATOM 129 CB HIS A 9 5.944 6.298 0.270 1.00 0.00 C ATOM 130 CG HIS A 9 6.519 5.374 1.298 1.00 0.00 C ATOM 131 ND1 HIS A 9 7.376 5.795 2.292 1.00 0.00 N ATOM 132 CD2 HIS A 9 6.352 4.043 1.488 1.00 0.00 C ATOM 133 CE1 HIS A 9 7.712 4.765 3.048 1.00 0.00 C ATOM 134 NE2 HIS A 9 7.104 3.690 2.582 1.00 0.00 N ATOM 0 H HIS A 9 4.568 7.650 -1.279 1.00 0.00 H new ATOM 0 HA HIS A 9 3.918 6.020 0.909 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.857 5.768 -0.678 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.633 7.127 0.110 1.00 0.00 H new ATOM 0 HD1 HIS A 9 7.700 6.753 2.423 1.00 0.00 H new ATOM 0 HD2 HIS A 9 5.741 3.382 0.890 1.00 0.00 H new ATOM 0 HE1 HIS A 9 8.372 4.797 3.902 1.00 0.00 H new ATOM 143 N ARG A 10 5.237 8.965 1.621 1.00 0.00 N ATOM 144 CA ARG A 10 5.422 9.943 2.685 1.00 0.00 C ATOM 145 C ARG A 10 4.096 10.207 3.380 1.00 0.00 C ATOM 146 O ARG A 10 4.025 10.290 4.605 1.00 0.00 O ATOM 147 CB ARG A 10 5.982 11.251 2.119 1.00 0.00 C ATOM 148 CG ARG A 10 7.446 11.167 1.720 1.00 0.00 C ATOM 149 CD ARG A 10 7.856 12.338 0.840 1.00 0.00 C ATOM 150 NE ARG A 10 8.920 13.132 1.448 1.00 0.00 N ATOM 151 CZ ARG A 10 9.645 14.031 0.787 1.00 0.00 C ATOM 152 NH1 ARG A 10 9.423 14.254 -0.503 1.00 0.00 N ATOM 153 NH2 ARG A 10 10.596 14.708 1.416 1.00 0.00 N ATOM 0 H ARG A 10 5.530 9.284 0.697 1.00 0.00 H new ATOM 0 HA ARG A 10 6.134 9.542 3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.394 11.541 1.249 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.862 12.039 2.862 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.067 11.150 2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.626 10.232 1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.190 11.965 -0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.990 12.973 0.655 1.00 0.00 H new ATOM 0 HE ARG A 10 9.119 12.989 2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.694 13.735 -0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.982 14.944 -1.005 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.772 14.540 2.407 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.152 15.397 0.909 1.00 0.00 H new ATOM 167 N GLN A 11 3.047 10.326 2.577 1.00 0.00 N ATOM 168 CA GLN A 11 1.708 10.573 3.087 1.00 0.00 C ATOM 169 C GLN A 11 1.197 9.370 3.876 1.00 0.00 C ATOM 170 O GLN A 11 0.993 9.451 5.089 1.00 0.00 O ATOM 171 CB GLN A 11 0.770 10.889 1.917 1.00 0.00 C ATOM 172 CG GLN A 11 -0.706 10.762 2.251 1.00 0.00 C ATOM 173 CD GLN A 11 -1.160 11.751 3.301 1.00 0.00 C ATOM 174 OE1 GLN A 11 -1.871 11.396 4.240 1.00 0.00 O ATOM 175 NE2 GLN A 11 -0.752 13.000 3.146 1.00 0.00 N ATOM 0 H GLN A 11 3.101 10.254 1.561 1.00 0.00 H new ATOM 0 HA GLN A 11 1.737 11.426 3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.967 11.904 1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.002 10.220 1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.292 10.908 1.344 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.908 9.750 2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.163 13.249 2.351 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.027 13.714 3.821 1.00 0.00 H new ATOM 184 N VAL A 12 0.998 8.253 3.186 1.00 0.00 N ATOM 185 CA VAL A 12 0.511 7.040 3.830 1.00 0.00 C ATOM 186 C VAL A 12 1.362 6.680 5.044 1.00 0.00 C ATOM 187 O VAL A 12 0.840 6.372 6.119 1.00 0.00 O ATOM 188 CB VAL A 12 0.494 5.851 2.846 1.00 0.00 C ATOM 189 CG1 VAL A 12 1.904 5.497 2.401 1.00 0.00 C ATOM 190 CG2 VAL A 12 -0.196 4.647 3.472 1.00 0.00 C ATOM 0 H VAL A 12 1.166 8.162 2.184 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.509 7.241 4.158 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.073 6.147 1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.867 4.656 1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.356 6.356 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.502 5.224 3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.198 3.819 2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.338 4.350 4.375 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.223 4.908 3.727 1.00 0.00 H new ATOM 200 N SER A 13 2.677 6.718 4.859 1.00 0.00 N ATOM 201 CA SER A 13 3.613 6.388 5.924 1.00 0.00 C ATOM 202 C SER A 13 3.523 7.371 7.079 1.00 0.00 C ATOM 203 O SER A 13 3.634 6.981 8.242 1.00 0.00 O ATOM 204 CB SER A 13 5.043 6.354 5.383 1.00 0.00 C ATOM 205 OG SER A 13 5.163 5.433 4.314 1.00 0.00 O ATOM 0 H SER A 13 3.119 6.976 3.977 1.00 0.00 H new ATOM 0 HA SER A 13 3.343 5.401 6.301 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.330 7.349 5.043 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.731 6.079 6.183 1.00 0.00 H new ATOM 0 HG SER A 13 4.906 5.870 3.475 1.00 0.00 H new ATOM 211 N ARG A 14 3.324 8.643 6.767 1.00 0.00 N ATOM 212 CA ARG A 14 3.234 9.654 7.805 1.00 0.00 C ATOM 213 C ARG A 14 1.961 9.478 8.609 1.00 0.00 C ATOM 214 O ARG A 14 1.918 9.789 9.799 1.00 0.00 O ATOM 215 CB ARG A 14 3.289 11.061 7.207 1.00 0.00 C ATOM 216 CG ARG A 14 4.700 11.614 7.074 1.00 0.00 C ATOM 217 CD ARG A 14 5.025 12.586 8.199 1.00 0.00 C ATOM 218 NE ARG A 14 6.032 13.568 7.803 1.00 0.00 N ATOM 219 CZ ARG A 14 6.474 14.538 8.601 1.00 0.00 C ATOM 220 NH1 ARG A 14 6.003 14.657 9.837 1.00 0.00 N ATOM 221 NH2 ARG A 14 7.390 15.392 8.164 1.00 0.00 N ATOM 0 H ARG A 14 3.223 8.995 5.815 1.00 0.00 H new ATOM 0 HA ARG A 14 4.090 9.530 8.469 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.820 11.047 6.223 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.702 11.735 7.831 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.416 10.793 7.083 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.805 12.119 6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.116 13.103 8.505 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.382 12.030 9.066 1.00 0.00 H new ATOM 0 HE ARG A 14 6.419 13.507 6.861 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.299 14.003 10.180 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.345 15.402 10.444 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.756 15.306 7.216 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.728 16.135 8.776 1.00 0.00 H new ATOM 235 N LEU A 15 0.923 8.973 7.957 1.00 0.00 N ATOM 236 CA LEU A 15 -0.344 8.755 8.626 1.00 0.00 C ATOM 237 C LEU A 15 -0.253 7.571 9.575 1.00 0.00 C ATOM 238 O LEU A 15 -0.433 7.715 10.780 1.00 0.00 O ATOM 239 CB LEU A 15 -1.446 8.497 7.613 1.00 0.00 C ATOM 240 CG LEU A 15 -1.535 9.523 6.498 1.00 0.00 C ATOM 241 CD1 LEU A 15 -1.912 8.846 5.191 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.535 10.613 6.852 1.00 0.00 C ATOM 0 H LEU A 15 0.936 8.709 6.972 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.579 9.655 9.194 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.292 7.513 7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.402 8.465 8.136 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.558 9.990 6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.973 9.592 4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.155 8.105 4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.879 8.355 5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.585 11.339 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.519 10.169 7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.219 11.113 7.767 1.00 0.00 H new ATOM 254 N VAL A 16 0.017 6.394 9.017 1.00 0.00 N ATOM 255 CA VAL A 16 0.120 5.178 9.817 1.00 0.00 C ATOM 256 C VAL A 16 1.177 5.311 10.891 1.00 0.00 C ATOM 257 O VAL A 16 0.923 5.065 12.070 1.00 0.00 O ATOM 258 CB VAL A 16 0.481 3.954 8.958 1.00 0.00 C ATOM 259 CG1 VAL A 16 0.807 2.745 9.828 1.00 0.00 C ATOM 260 CG2 VAL A 16 -0.632 3.623 7.989 1.00 0.00 C ATOM 0 H VAL A 16 0.168 6.257 8.018 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.862 5.035 10.268 1.00 0.00 H new ATOM 0 HB VAL A 16 1.372 4.208 8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.058 1.896 9.192 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.654 2.979 10.473 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.058 2.495 10.442 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.350 2.754 7.394 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.544 3.403 8.544 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.805 4.473 7.329 1.00 0.00 H new ATOM 270 N GLN A 17 2.373 5.675 10.468 1.00 0.00 N ATOM 271 CA GLN A 17 3.483 5.812 11.385 1.00 0.00 C ATOM 272 C GLN A 17 3.221 6.903 12.425 1.00 0.00 C ATOM 273 O GLN A 17 3.992 7.056 13.373 1.00 0.00 O ATOM 274 CB GLN A 17 4.770 6.077 10.604 1.00 0.00 C ATOM 275 CG GLN A 17 5.033 5.039 9.512 1.00 0.00 C ATOM 276 CD GLN A 17 6.194 4.123 9.847 1.00 0.00 C ATOM 277 OE1 GLN A 17 7.018 4.434 10.708 1.00 0.00 O ATOM 278 NE2 GLN A 17 6.265 2.985 9.167 1.00 0.00 N ATOM 0 H GLN A 17 2.598 5.881 9.495 1.00 0.00 H new ATOM 0 HA GLN A 17 3.597 4.877 11.934 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.716 7.067 10.151 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.612 6.089 11.296 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.135 4.441 9.361 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.238 5.550 8.571 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.561 2.767 8.462 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.024 2.328 9.349 1.00 0.00 H new ATOM 287 N GLN A 18 2.127 7.654 12.261 1.00 0.00 N ATOM 288 CA GLN A 18 1.790 8.707 13.213 1.00 0.00 C ATOM 289 C GLN A 18 0.277 8.925 13.304 1.00 0.00 C ATOM 290 O GLN A 18 -0.179 10.060 13.448 1.00 0.00 O ATOM 291 CB GLN A 18 2.476 10.021 12.825 1.00 0.00 C ATOM 292 CG GLN A 18 3.808 9.835 12.114 1.00 0.00 C ATOM 293 CD GLN A 18 4.352 11.133 11.551 1.00 0.00 C ATOM 294 OE1 GLN A 18 3.532 11.830 10.774 1.00 0.00 O flip ATOM 295 NE2 GLN A 18 5.496 11.505 11.812 1.00 0.00 N flip ATOM 0 H GLN A 18 1.470 7.552 11.487 1.00 0.00 H new ATOM 0 HA GLN A 18 2.148 8.385 14.191 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.808 10.592 12.180 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.635 10.616 13.725 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.532 9.413 12.811 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.687 9.114 11.305 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.092 10.937 12.414 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.848 12.381 11.426 1.00 0.00 H new ATOM 304 N GLU A 19 -0.506 7.841 13.223 1.00 0.00 N ATOM 305 CA GLU A 19 -1.969 7.951 13.301 1.00 0.00 C ATOM 306 C GLU A 19 -2.675 6.654 12.906 1.00 0.00 C ATOM 307 O GLU A 19 -3.345 6.020 13.721 1.00 0.00 O ATOM 308 CB GLU A 19 -2.471 9.080 12.387 1.00 0.00 C ATOM 309 CG GLU A 19 -3.174 10.203 13.132 1.00 0.00 C ATOM 310 CD GLU A 19 -3.629 11.317 12.210 1.00 0.00 C ATOM 311 OE1 GLU A 19 -2.983 11.521 11.160 1.00 0.00 O ATOM 312 OE2 GLU A 19 -4.632 11.985 12.536 1.00 0.00 O ATOM 0 H GLU A 19 -0.157 6.890 13.105 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.207 8.168 14.342 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.625 9.494 11.838 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.156 8.661 11.649 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.037 9.799 13.661 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.501 10.612 13.885 1.00 0.00 H new ATOM 319 N SER A 20 -2.551 6.301 11.633 1.00 0.00 N ATOM 320 CA SER A 20 -3.200 5.122 11.078 1.00 0.00 C ATOM 321 C SER A 20 -2.499 3.829 11.467 1.00 0.00 C ATOM 322 O SER A 20 -1.742 3.247 10.692 1.00 0.00 O ATOM 323 CB SER A 20 -3.270 5.245 9.566 1.00 0.00 C ATOM 324 OG SER A 20 -3.389 6.599 9.168 1.00 0.00 O ATOM 0 H SER A 20 -1.997 6.825 10.956 1.00 0.00 H new ATOM 0 HA SER A 20 -4.205 5.074 11.497 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.375 4.810 9.121 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.121 4.677 9.191 1.00 0.00 H new ATOM 0 HG SER A 20 -3.946 7.082 9.813 1.00 0.00 H new ATOM 330 N GLY A 21 -2.780 3.388 12.669 1.00 0.00 N ATOM 331 CA GLY A 21 -2.198 2.160 13.178 1.00 0.00 C ATOM 332 C GLY A 21 -2.678 0.928 12.430 1.00 0.00 C ATOM 333 O GLY A 21 -3.470 0.145 12.956 1.00 0.00 O ATOM 0 H GLY A 21 -3.410 3.859 13.318 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.112 2.222 13.108 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.444 2.057 14.235 1.00 0.00 H new ATOM 337 N ASP A 22 -2.188 0.751 11.205 1.00 0.00 N ATOM 338 CA ASP A 22 -2.555 -0.399 10.377 1.00 0.00 C ATOM 339 C ASP A 22 -3.956 -0.251 9.781 1.00 0.00 C ATOM 340 O ASP A 22 -4.583 -1.241 9.402 1.00 0.00 O ATOM 341 CB ASP A 22 -2.471 -1.693 11.190 1.00 0.00 C ATOM 342 CG ASP A 22 -2.292 -2.917 10.314 1.00 0.00 C ATOM 343 OD1 ASP A 22 -3.280 -3.342 9.680 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.163 -3.449 10.260 1.00 0.00 O ATOM 0 H ASP A 22 -1.532 1.393 10.760 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.843 -0.442 9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.638 -1.626 11.890 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.378 -1.805 11.784 1.00 0.00 H new ATOM 349 N CYS A 23 -4.439 0.984 9.688 1.00 0.00 N ATOM 350 CA CYS A 23 -5.760 1.249 9.122 1.00 0.00 C ATOM 351 C CYS A 23 -5.752 0.993 7.618 1.00 0.00 C ATOM 352 O CYS A 23 -4.821 0.383 7.092 1.00 0.00 O ATOM 353 CB CYS A 23 -6.170 2.694 9.410 1.00 0.00 C ATOM 354 SG CYS A 23 -6.428 3.053 11.163 1.00 0.00 S ATOM 0 H CYS A 23 -3.937 1.817 9.996 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.483 0.577 9.585 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.401 3.363 9.023 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.088 2.915 8.866 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.769 4.299 11.305 1.00 0.00 H new ATOM 360 N THR A 24 -6.785 1.464 6.924 1.00 0.00 N ATOM 361 CA THR A 24 -6.870 1.279 5.482 1.00 0.00 C ATOM 362 C THR A 24 -6.538 2.575 4.758 1.00 0.00 C ATOM 363 O THR A 24 -6.539 3.648 5.356 1.00 0.00 O ATOM 364 CB THR A 24 -8.259 0.797 5.071 1.00 0.00 C ATOM 365 OG1 THR A 24 -9.046 0.490 6.207 1.00 0.00 O ATOM 366 CG2 THR A 24 -8.222 -0.429 4.187 1.00 0.00 C ATOM 0 H THR A 24 -7.568 1.972 7.335 1.00 0.00 H new ATOM 0 HA THR A 24 -6.143 0.517 5.201 1.00 0.00 H new ATOM 0 HB THR A 24 -8.697 1.621 4.507 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.125 1.285 6.775 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.240 -0.722 3.929 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.667 -0.204 3.276 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.732 -1.246 4.718 1.00 0.00 H new ATOM 374 N GLY A 25 -6.246 2.473 3.469 1.00 0.00 N ATOM 375 CA GLY A 25 -5.902 3.653 2.707 1.00 0.00 C ATOM 376 C GLY A 25 -7.018 4.129 1.802 1.00 0.00 C ATOM 377 O GLY A 25 -7.597 3.350 1.045 1.00 0.00 O ATOM 0 H GLY A 25 -6.241 1.600 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.634 4.455 3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.019 3.442 2.103 1.00 0.00 H new ATOM 381 N LYS A 26 -7.300 5.423 1.875 1.00 0.00 N ATOM 382 CA LYS A 26 -8.330 6.038 1.053 1.00 0.00 C ATOM 383 C LYS A 26 -7.662 6.825 -0.063 1.00 0.00 C ATOM 384 O LYS A 26 -7.005 7.832 0.193 1.00 0.00 O ATOM 385 CB LYS A 26 -9.208 6.962 1.902 1.00 0.00 C ATOM 386 CG LYS A 26 -10.587 7.213 1.316 1.00 0.00 C ATOM 387 CD LYS A 26 -10.565 8.346 0.303 1.00 0.00 C ATOM 388 CE LYS A 26 -10.532 9.705 0.986 1.00 0.00 C ATOM 389 NZ LYS A 26 -9.294 10.462 0.654 1.00 0.00 N ATOM 0 H LYS A 26 -6.824 6.071 2.502 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.967 5.264 0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.320 6.528 2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.698 7.917 2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.951 6.304 0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.286 7.454 2.117 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.693 8.241 -0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.445 8.281 -0.337 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.404 10.285 0.684 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.597 9.571 2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.855 10.810 1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.628 9.837 0.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.534 11.268 0.042 1.00 0.00 H new ATOM 403 N LEU A 27 -7.800 6.344 -1.295 1.00 0.00 N ATOM 404 CA LEU A 27 -7.166 6.993 -2.437 1.00 0.00 C ATOM 405 C LEU A 27 -8.161 7.788 -3.274 1.00 0.00 C ATOM 406 O LEU A 27 -9.288 7.357 -3.513 1.00 0.00 O ATOM 407 CB LEU A 27 -6.472 5.949 -3.314 1.00 0.00 C ATOM 408 CG LEU A 27 -5.390 6.501 -4.243 1.00 0.00 C ATOM 409 CD1 LEU A 27 -4.257 5.499 -4.400 1.00 0.00 C ATOM 410 CD2 LEU A 27 -5.984 6.853 -5.599 1.00 0.00 C ATOM 0 H LEU A 27 -8.342 5.512 -1.527 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.431 7.695 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.024 5.194 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.226 5.445 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.984 7.409 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.497 5.910 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.814 5.295 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.646 4.573 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.201 7.244 -6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.417 5.960 -6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.760 7.607 -5.471 1.00 0.00 H new ATOM 422 N ARG A 28 -7.711 8.961 -3.713 1.00 0.00 N ATOM 423 CA ARG A 28 -8.512 9.868 -4.529 1.00 0.00 C ATOM 424 C ARG A 28 -7.852 11.244 -4.541 1.00 0.00 C ATOM 425 O ARG A 28 -8.480 12.256 -4.232 1.00 0.00 O ATOM 426 CB ARG A 28 -9.947 9.964 -3.993 1.00 0.00 C ATOM 427 CG ARG A 28 -10.977 9.314 -4.904 1.00 0.00 C ATOM 428 CD ARG A 28 -11.842 8.311 -4.155 1.00 0.00 C ATOM 429 NE ARG A 28 -12.040 7.081 -4.920 1.00 0.00 N ATOM 430 CZ ARG A 28 -12.818 6.997 -5.997 1.00 0.00 C ATOM 431 NH1 ARG A 28 -13.478 8.063 -6.432 1.00 0.00 N ATOM 432 NH2 ARG A 28 -12.936 5.844 -6.640 1.00 0.00 N ATOM 0 H ARG A 28 -6.774 9.310 -3.511 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.564 9.481 -5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.992 9.493 -3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.206 11.014 -3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.611 10.084 -5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.469 8.812 -5.727 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.376 8.072 -3.199 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.810 8.761 -3.934 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.554 6.239 -4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.391 8.953 -5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.073 7.993 -7.258 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.431 5.022 -6.310 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.532 5.779 -7.465 1.00 0.00 H new ATOM 446 N GLY A 29 -6.562 11.258 -4.869 1.00 0.00 N ATOM 447 CA GLY A 29 -5.805 12.498 -4.882 1.00 0.00 C ATOM 448 C GLY A 29 -5.089 12.724 -3.562 1.00 0.00 C ATOM 449 O GLY A 29 -4.314 13.669 -3.412 1.00 0.00 O ATOM 0 H GLY A 29 -6.026 10.429 -5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.077 12.473 -5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.476 13.334 -5.081 1.00 0.00 H new ATOM 453 N ASN A 30 -5.362 11.838 -2.608 1.00 0.00 N ATOM 454 CA ASN A 30 -4.769 11.889 -1.279 1.00 0.00 C ATOM 455 C ASN A 30 -5.013 10.554 -0.583 1.00 0.00 C ATOM 456 O ASN A 30 -6.006 9.883 -0.867 1.00 0.00 O ATOM 457 CB ASN A 30 -5.377 13.051 -0.472 1.00 0.00 C ATOM 458 CG ASN A 30 -5.922 12.625 0.882 1.00 0.00 C ATOM 459 OD1 ASN A 30 -6.950 11.783 0.869 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -5.424 13.047 1.925 1.00 0.00 N flip ATOM 0 H ASN A 30 -6.007 11.059 -2.739 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.696 12.063 -1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.617 13.818 -0.324 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.180 13.505 -1.052 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.635 13.693 1.889 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.800 12.751 2.826 1.00 0.00 H new ATOM 467 N VAL A 31 -4.135 10.168 0.332 1.00 0.00 N ATOM 468 CA VAL A 31 -4.322 8.912 1.044 1.00 0.00 C ATOM 469 C VAL A 31 -4.809 9.173 2.470 1.00 0.00 C ATOM 470 O VAL A 31 -4.186 9.911 3.232 1.00 0.00 O ATOM 471 CB VAL A 31 -3.051 8.016 1.040 1.00 0.00 C ATOM 472 CG1 VAL A 31 -2.022 8.505 0.027 1.00 0.00 C ATOM 473 CG2 VAL A 31 -2.430 7.908 2.423 1.00 0.00 C ATOM 0 H VAL A 31 -3.302 10.694 0.595 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.088 8.354 0.506 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.373 7.019 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.148 7.854 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.458 8.487 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.723 9.524 0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.545 7.274 2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.147 8.901 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.152 7.472 3.113 1.00 0.00 H new ATOM 483 N ALA A 32 -5.946 8.575 2.807 1.00 0.00 N ATOM 484 CA ALA A 32 -6.552 8.743 4.125 1.00 0.00 C ATOM 485 C ALA A 32 -6.547 7.434 4.905 1.00 0.00 C ATOM 486 O ALA A 32 -6.302 6.368 4.340 1.00 0.00 O ATOM 487 CB ALA A 32 -7.972 9.270 3.989 1.00 0.00 C ATOM 0 H ALA A 32 -6.471 7.965 2.181 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.956 9.468 4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.412 9.390 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.955 10.234 3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.568 8.564 3.411 1.00 0.00 H new ATOM 493 N ALA A 33 -6.810 7.517 6.207 1.00 0.00 N ATOM 494 CA ALA A 33 -6.824 6.332 7.051 1.00 0.00 C ATOM 495 C ALA A 33 -8.250 5.897 7.369 1.00 0.00 C ATOM 496 O ALA A 33 -8.945 6.524 8.168 1.00 0.00 O ATOM 497 CB ALA A 33 -6.058 6.597 8.337 1.00 0.00 C ATOM 0 H ALA A 33 -7.015 8.389 6.695 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.339 5.523 6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.075 5.704 8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.026 6.854 8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.523 7.424 8.874 1.00 0.00 H new ATOM 503 N ASN A 34 -8.674 4.812 6.727 1.00 0.00 N ATOM 504 CA ASN A 34 -10.013 4.267 6.917 1.00 0.00 C ATOM 505 C ASN A 34 -10.047 3.337 8.130 1.00 0.00 C ATOM 506 O ASN A 34 -9.276 2.380 8.214 1.00 0.00 O ATOM 507 CB ASN A 34 -10.451 3.528 5.639 1.00 0.00 C ATOM 508 CG ASN A 34 -11.368 2.341 5.894 1.00 0.00 C ATOM 509 OD1 ASN A 34 -12.187 2.358 6.813 1.00 0.00 O ATOM 510 ND2 ASN A 34 -11.235 1.303 5.071 1.00 0.00 N ATOM 0 H ASN A 34 -8.102 4.289 6.064 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.711 5.082 7.107 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.960 4.232 4.981 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.563 3.181 5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.825 0.480 5.189 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.543 1.331 4.322 1.00 0.00 H new ATOM 517 N LYS A 35 -10.947 3.627 9.065 1.00 0.00 N ATOM 518 CA LYS A 35 -11.085 2.820 10.273 1.00 0.00 C ATOM 519 C LYS A 35 -12.522 2.331 10.441 1.00 0.00 C ATOM 520 O LYS A 35 -12.982 2.102 11.560 1.00 0.00 O ATOM 521 CB LYS A 35 -10.660 3.628 11.502 1.00 0.00 C ATOM 522 CG LYS A 35 -9.690 2.889 12.409 1.00 0.00 C ATOM 523 CD LYS A 35 -10.392 1.811 13.220 1.00 0.00 C ATOM 524 CE LYS A 35 -10.120 0.426 12.657 1.00 0.00 C ATOM 525 NZ LYS A 35 -11.306 -0.467 12.780 1.00 0.00 N ATOM 0 H LYS A 35 -11.592 4.415 9.009 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.435 1.951 10.176 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.199 4.559 11.173 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.548 3.897 12.075 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.901 2.437 11.808 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.210 3.598 13.084 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.056 1.856 14.256 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.466 1.999 13.225 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.836 0.510 11.608 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.274 -0.019 13.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.991 -1.456 12.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.843 -0.216 13.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.914 -0.354 11.944 1.00 0.00 H new ATOM 539 N GLU A 36 -13.223 2.173 9.324 1.00 0.00 N ATOM 540 CA GLU A 36 -14.606 1.711 9.348 1.00 0.00 C ATOM 541 C GLU A 36 -14.716 0.302 8.776 1.00 0.00 C ATOM 542 O GLU A 36 -15.472 -0.528 9.281 1.00 0.00 O ATOM 543 CB GLU A 36 -15.498 2.666 8.553 1.00 0.00 C ATOM 544 CG GLU A 36 -15.969 3.868 9.355 1.00 0.00 C ATOM 545 CD GLU A 36 -15.711 5.182 8.643 1.00 0.00 C ATOM 546 OE1 GLU A 36 -16.191 5.343 7.501 1.00 0.00 O ATOM 547 OE2 GLU A 36 -15.028 6.050 9.226 1.00 0.00 O ATOM 0 H GLU A 36 -12.856 2.358 8.390 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.940 1.692 10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.952 3.016 7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.368 2.119 8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.036 3.771 9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -15.463 3.877 10.320 1.00 0.00 H new ATOM 554 N THR A 37 -13.956 0.041 7.719 1.00 0.00 N ATOM 555 CA THR A 37 -13.964 -1.265 7.073 1.00 0.00 C ATOM 556 C THR A 37 -12.711 -2.053 7.416 1.00 0.00 C ATOM 557 O THR A 37 -12.790 -3.196 7.865 1.00 0.00 O ATOM 558 CB THR A 37 -14.090 -1.107 5.557 1.00 0.00 C ATOM 559 OG1 THR A 37 -13.501 0.108 5.129 1.00 0.00 O ATOM 560 CG2 THR A 37 -15.523 -1.118 5.071 1.00 0.00 C ATOM 0 H THR A 37 -13.325 0.718 7.291 1.00 0.00 H new ATOM 0 HA THR A 37 -14.826 -1.819 7.444 1.00 0.00 H new ATOM 0 HB THR A 37 -13.573 -1.968 5.133 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.590 0.190 4.157 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.541 -1.002 3.987 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.992 -2.064 5.342 1.00 0.00 H new ATOM 0 HG23 THR A 37 -16.070 -0.296 5.533 1.00 0.00 H new ATOM 568 N THR A 38 -11.558 -1.444 7.186 1.00 0.00 N ATOM 569 CA THR A 38 -10.285 -2.097 7.457 1.00 0.00 C ATOM 570 C THR A 38 -10.169 -3.355 6.618 1.00 0.00 C ATOM 571 O THR A 38 -10.701 -4.409 6.967 1.00 0.00 O ATOM 572 CB THR A 38 -10.136 -2.430 8.938 1.00 0.00 C ATOM 573 OG1 THR A 38 -10.870 -3.594 9.278 1.00 0.00 O ATOM 574 CG2 THR A 38 -10.586 -1.312 9.854 1.00 0.00 C ATOM 0 H THR A 38 -11.477 -0.498 6.812 1.00 0.00 H new ATOM 0 HA THR A 38 -9.482 -1.409 7.191 1.00 0.00 H new ATOM 0 HB THR A 38 -9.068 -2.589 9.085 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.423 -3.866 8.516 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.453 -1.616 10.892 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.992 -0.420 9.658 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.638 -1.094 9.672 1.00 0.00 H new ATOM 582 N PHE A 39 -9.505 -3.216 5.489 1.00 0.00 N ATOM 583 CA PHE A 39 -9.350 -4.319 4.556 1.00 0.00 C ATOM 584 C PHE A 39 -7.930 -4.498 4.052 1.00 0.00 C ATOM 585 O PHE A 39 -7.013 -3.785 4.454 1.00 0.00 O ATOM 586 CB PHE A 39 -10.270 -4.106 3.383 1.00 0.00 C ATOM 587 CG PHE A 39 -11.675 -4.553 3.677 1.00 0.00 C ATOM 588 CD1 PHE A 39 -11.933 -5.858 4.067 1.00 0.00 C ATOM 589 CD2 PHE A 39 -12.736 -3.666 3.583 1.00 0.00 C ATOM 590 CE1 PHE A 39 -13.220 -6.270 4.354 1.00 0.00 C ATOM 591 CE2 PHE A 39 -14.025 -4.073 3.866 1.00 0.00 C ATOM 592 CZ PHE A 39 -14.268 -5.377 4.252 1.00 0.00 C ATOM 0 H PHE A 39 -9.061 -2.347 5.192 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.604 -5.228 5.101 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.275 -3.050 3.114 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.889 -4.653 2.520 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.118 -6.562 4.147 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.552 -2.644 3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.406 -7.290 4.658 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -14.843 -3.372 3.786 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.275 -5.697 4.473 1.00 0.00 H new ATOM 602 N GLN A 40 -7.773 -5.470 3.156 1.00 0.00 N ATOM 603 CA GLN A 40 -6.483 -5.777 2.566 1.00 0.00 C ATOM 604 C GLN A 40 -6.653 -6.323 1.152 1.00 0.00 C ATOM 605 O GLN A 40 -6.092 -5.785 0.198 1.00 0.00 O ATOM 606 CB GLN A 40 -5.710 -6.789 3.422 1.00 0.00 C ATOM 607 CG GLN A 40 -6.067 -6.767 4.904 1.00 0.00 C ATOM 608 CD GLN A 40 -7.485 -7.237 5.199 1.00 0.00 C ATOM 609 OE1 GLN A 40 -8.111 -6.776 6.153 1.00 0.00 O ATOM 610 NE2 GLN A 40 -8.004 -8.155 4.387 1.00 0.00 N ATOM 0 H GLN A 40 -8.535 -6.061 2.824 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.912 -4.850 2.523 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.893 -7.790 3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.643 -6.596 3.315 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -5.364 -7.398 5.447 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.944 -5.753 5.283 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.455 -8.514 3.606 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.951 -8.499 4.546 1.00 0.00 H new ATOM 619 N GLY A 41 -7.429 -7.396 1.025 1.00 0.00 N ATOM 620 CA GLY A 41 -7.654 -7.992 -0.279 1.00 0.00 C ATOM 621 C GLY A 41 -9.003 -8.675 -0.391 1.00 0.00 C ATOM 622 O GLY A 41 -9.189 -9.794 0.088 1.00 0.00 O ATOM 0 H GLY A 41 -7.904 -7.861 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.579 -7.219 -1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.867 -8.718 -0.482 1.00 0.00 H new ATOM 626 N LEU A 42 -9.942 -7.991 -1.030 1.00 0.00 N ATOM 627 CA LEU A 42 -11.282 -8.501 -1.228 1.00 0.00 C ATOM 628 C LEU A 42 -11.913 -7.798 -2.437 1.00 0.00 C ATOM 629 O LEU A 42 -11.304 -6.895 -3.011 1.00 0.00 O ATOM 630 CB LEU A 42 -12.077 -8.341 0.072 1.00 0.00 C ATOM 631 CG LEU A 42 -13.264 -7.382 0.057 1.00 0.00 C ATOM 632 CD1 LEU A 42 -14.538 -8.130 -0.295 1.00 0.00 C ATOM 633 CD2 LEU A 42 -13.401 -6.705 1.414 1.00 0.00 C ATOM 0 H LEU A 42 -9.790 -7.063 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.277 -9.567 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.443 -9.325 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.388 -8.012 0.850 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.093 -6.617 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.378 -7.435 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.433 -8.583 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -14.719 -8.909 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.250 -6.022 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.560 -7.461 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.491 -6.147 1.636 1.00 0.00 H new ATOM 645 N THR A 43 -13.091 -8.239 -2.863 1.00 0.00 N ATOM 646 CA THR A 43 -13.727 -7.665 -4.050 1.00 0.00 C ATOM 647 C THR A 43 -14.948 -6.810 -3.726 1.00 0.00 C ATOM 648 O THR A 43 -15.953 -6.862 -4.436 1.00 0.00 O ATOM 649 CB THR A 43 -14.129 -8.787 -5.004 1.00 0.00 C ATOM 650 OG1 THR A 43 -13.294 -9.918 -4.830 1.00 0.00 O ATOM 651 CG2 THR A 43 -14.058 -8.383 -6.455 1.00 0.00 C ATOM 0 H THR A 43 -13.623 -8.984 -2.412 1.00 0.00 H new ATOM 0 HA THR A 43 -12.994 -7.005 -4.514 1.00 0.00 H new ATOM 0 HB THR A 43 -15.164 -9.022 -4.757 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.569 -10.626 -5.449 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.356 -9.224 -7.082 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.729 -7.543 -6.632 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.037 -8.090 -6.702 1.00 0.00 H new ATOM 659 N ILE A 44 -14.862 -6.015 -2.670 1.00 0.00 N ATOM 660 CA ILE A 44 -15.966 -5.141 -2.276 1.00 0.00 C ATOM 661 C ILE A 44 -17.279 -5.905 -2.070 1.00 0.00 C ATOM 662 O ILE A 44 -18.302 -5.303 -1.745 1.00 0.00 O ATOM 663 CB ILE A 44 -16.202 -4.033 -3.321 1.00 0.00 C ATOM 664 CG1 ILE A 44 -14.878 -3.588 -3.947 1.00 0.00 C ATOM 665 CG2 ILE A 44 -16.914 -2.848 -2.685 1.00 0.00 C ATOM 666 CD1 ILE A 44 -15.045 -2.582 -5.065 1.00 0.00 C ATOM 0 H ILE A 44 -14.041 -5.954 -2.068 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.668 -4.700 -1.325 1.00 0.00 H new ATOM 0 HB ILE A 44 -16.835 -4.436 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.246 -3.155 -3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.355 -4.464 -4.332 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -17.074 -2.074 -3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.876 -3.172 -2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.303 -2.448 -1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.066 -2.312 -5.461 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.650 -3.018 -5.860 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.539 -1.690 -4.681 1.00 0.00 H new ATOM 678 N ALA A 45 -17.255 -7.225 -2.249 1.00 0.00 N ATOM 679 CA ALA A 45 -18.450 -8.033 -2.066 1.00 0.00 C ATOM 680 C ALA A 45 -18.834 -8.066 -0.597 1.00 0.00 C ATOM 681 O ALA A 45 -20.014 -8.064 -0.246 1.00 0.00 O ATOM 682 CB ALA A 45 -18.224 -9.443 -2.593 1.00 0.00 C ATOM 0 H ALA A 45 -16.424 -7.751 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.268 -7.586 -2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.128 -10.035 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -17.984 -9.400 -3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.398 -9.905 -2.053 1.00 0.00 H new ATOM 688 N SER A 46 -17.819 -8.083 0.257 1.00 0.00 N ATOM 689 CA SER A 46 -18.033 -8.099 1.699 1.00 0.00 C ATOM 690 C SER A 46 -18.469 -6.721 2.187 1.00 0.00 C ATOM 691 O SER A 46 -19.552 -6.564 2.750 1.00 0.00 O ATOM 692 CB SER A 46 -16.760 -8.534 2.427 1.00 0.00 C ATOM 693 OG SER A 46 -17.044 -8.935 3.756 1.00 0.00 O ATOM 0 H SER A 46 -16.838 -8.086 -0.024 1.00 0.00 H new ATOM 0 HA SER A 46 -18.823 -8.817 1.919 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.292 -9.358 1.887 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.044 -7.712 2.437 1.00 0.00 H new ATOM 0 HG SER A 46 -16.214 -9.210 4.199 1.00 0.00 H new ATOM 699 N GLY A 47 -17.619 -5.723 1.961 1.00 0.00 N ATOM 700 CA GLY A 47 -17.939 -4.369 2.379 1.00 0.00 C ATOM 701 C GLY A 47 -16.791 -3.393 2.181 1.00 0.00 C ATOM 702 O GLY A 47 -16.647 -2.440 2.946 1.00 0.00 O ATOM 0 H GLY A 47 -16.717 -5.827 1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.806 -4.018 1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.222 -4.378 3.432 1.00 0.00 H new ATOM 706 N ALA A 48 -15.974 -3.623 1.155 1.00 0.00 N ATOM 707 CA ALA A 48 -14.839 -2.749 0.872 1.00 0.00 C ATOM 708 C ALA A 48 -15.296 -1.369 0.415 1.00 0.00 C ATOM 709 O ALA A 48 -16.471 -1.017 0.522 1.00 0.00 O ATOM 710 CB ALA A 48 -13.956 -3.371 -0.198 1.00 0.00 C ATOM 0 H ALA A 48 -16.077 -4.405 0.508 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.273 -2.633 1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.112 -2.712 -0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.587 -4.336 0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.535 -3.512 -1.111 1.00 0.00 H new ATOM 716 N ARG A 49 -14.348 -0.599 -0.110 1.00 0.00 N ATOM 717 CA ARG A 49 -14.621 0.741 -0.608 1.00 0.00 C ATOM 718 C ARG A 49 -13.738 1.037 -1.814 1.00 0.00 C ATOM 719 O ARG A 49 -12.584 0.612 -1.865 1.00 0.00 O ATOM 720 CB ARG A 49 -14.381 1.780 0.489 1.00 0.00 C ATOM 721 CG ARG A 49 -15.543 1.925 1.458 1.00 0.00 C ATOM 722 CD ARG A 49 -16.805 2.397 0.752 1.00 0.00 C ATOM 723 NE ARG A 49 -16.590 3.640 0.016 1.00 0.00 N ATOM 724 CZ ARG A 49 -17.534 4.254 -0.694 1.00 0.00 C ATOM 725 NH1 ARG A 49 -18.757 3.743 -0.766 1.00 0.00 N ATOM 726 NH2 ARG A 49 -17.256 5.382 -1.333 1.00 0.00 N ATOM 0 H ARG A 49 -13.374 -0.886 -0.201 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.667 0.795 -0.911 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.486 1.506 1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.184 2.746 0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.734 0.968 1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.277 2.634 2.242 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -17.146 1.623 0.064 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -17.598 2.543 1.486 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.662 4.062 0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -18.977 2.876 -0.276 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.477 4.217 -1.311 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.318 5.780 -1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.980 5.852 -1.877 1.00 0.00 H new ATOM 740 N GLU A 50 -14.286 1.759 -2.787 1.00 0.00 N ATOM 741 CA GLU A 50 -13.545 2.103 -3.999 1.00 0.00 C ATOM 742 C GLU A 50 -12.133 2.582 -3.671 1.00 0.00 C ATOM 743 O GLU A 50 -11.200 2.378 -4.448 1.00 0.00 O ATOM 744 CB GLU A 50 -14.292 3.183 -4.783 1.00 0.00 C ATOM 745 CG GLU A 50 -15.263 2.626 -5.811 1.00 0.00 C ATOM 746 CD GLU A 50 -16.599 2.247 -5.202 1.00 0.00 C ATOM 747 OE1 GLU A 50 -17.178 3.082 -4.476 1.00 0.00 O ATOM 748 OE2 GLU A 50 -17.065 1.115 -5.451 1.00 0.00 O ATOM 0 H GLU A 50 -15.240 2.118 -2.761 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.464 1.203 -4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.839 3.815 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.567 3.821 -5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.422 3.367 -6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.822 1.749 -6.285 1.00 0.00 H new ATOM 755 N SER A 51 -11.984 3.219 -2.516 1.00 0.00 N ATOM 756 CA SER A 51 -10.687 3.729 -2.084 1.00 0.00 C ATOM 757 C SER A 51 -9.667 2.601 -1.945 1.00 0.00 C ATOM 758 O SER A 51 -8.646 2.588 -2.633 1.00 0.00 O ATOM 759 CB SER A 51 -10.828 4.474 -0.757 1.00 0.00 C ATOM 760 OG SER A 51 -12.186 4.759 -0.470 1.00 0.00 O ATOM 0 H SER A 51 -12.745 3.395 -1.861 1.00 0.00 H new ATOM 0 HA SER A 51 -10.327 4.420 -2.846 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.402 3.874 0.047 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.259 5.403 -0.797 1.00 0.00 H new ATOM 0 HG SER A 51 -12.355 4.620 0.485 1.00 0.00 H new ATOM 766 N GLU A 52 -9.948 1.655 -1.051 1.00 0.00 N ATOM 767 CA GLU A 52 -9.053 0.524 -0.821 1.00 0.00 C ATOM 768 C GLU A 52 -8.645 -0.127 -2.141 1.00 0.00 C ATOM 769 O GLU A 52 -7.477 -0.101 -2.529 1.00 0.00 O ATOM 770 CB GLU A 52 -9.740 -0.505 0.080 1.00 0.00 C ATOM 771 CG GLU A 52 -10.190 0.061 1.417 1.00 0.00 C ATOM 772 CD GLU A 52 -11.264 -0.781 2.076 1.00 0.00 C ATOM 773 OE1 GLU A 52 -11.991 -1.491 1.350 1.00 0.00 O ATOM 774 OE2 GLU A 52 -11.380 -0.731 3.319 1.00 0.00 O ATOM 0 H GLU A 52 -10.789 1.650 -0.474 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.152 0.892 -0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.606 -0.913 -0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.055 -1.334 0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.331 0.134 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.567 1.073 1.270 1.00 0.00 H new ATOM 781 N LYS A 53 -9.625 -0.706 -2.825 1.00 0.00 N ATOM 782 CA LYS A 53 -9.399 -1.368 -4.111 1.00 0.00 C ATOM 783 C LYS A 53 -8.510 -0.517 -5.029 1.00 0.00 C ATOM 784 O LYS A 53 -7.446 -0.966 -5.478 1.00 0.00 O ATOM 785 CB LYS A 53 -10.763 -1.680 -4.760 1.00 0.00 C ATOM 786 CG LYS A 53 -10.878 -1.394 -6.257 1.00 0.00 C ATOM 787 CD LYS A 53 -12.225 -0.775 -6.591 1.00 0.00 C ATOM 788 CE LYS A 53 -12.704 -1.189 -7.973 1.00 0.00 C ATOM 789 NZ LYS A 53 -14.039 -0.610 -8.292 1.00 0.00 N ATOM 0 H LYS A 53 -10.594 -0.732 -2.509 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.864 -2.304 -3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.989 -2.733 -4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.529 -1.104 -4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.078 -0.721 -6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.750 -2.319 -6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.960 -1.077 -5.845 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.149 0.311 -6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.980 -0.866 -8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.757 -2.276 -8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.332 -0.915 -9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.736 -0.938 -7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.983 0.428 -8.264 1.00 0.00 H new ATOM 803 N VAL A 54 -8.946 0.713 -5.307 1.00 0.00 N ATOM 804 CA VAL A 54 -8.185 1.614 -6.168 1.00 0.00 C ATOM 805 C VAL A 54 -6.747 1.734 -5.678 1.00 0.00 C ATOM 806 O VAL A 54 -5.814 1.846 -6.474 1.00 0.00 O ATOM 807 CB VAL A 54 -8.827 3.017 -6.233 1.00 0.00 C ATOM 808 CG1 VAL A 54 -7.931 3.993 -6.984 1.00 0.00 C ATOM 809 CG2 VAL A 54 -10.200 2.943 -6.884 1.00 0.00 C ATOM 0 H VAL A 54 -9.817 1.105 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.193 1.187 -7.171 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.945 3.384 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.407 4.973 -7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.971 4.072 -6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.773 3.634 -8.001 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.639 3.940 -6.922 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.102 2.551 -7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.844 2.285 -6.301 1.00 0.00 H new ATOM 819 N PHE A 55 -6.575 1.699 -4.362 1.00 0.00 N ATOM 820 CA PHE A 55 -5.252 1.792 -3.766 1.00 0.00 C ATOM 821 C PHE A 55 -4.415 0.573 -4.142 1.00 0.00 C ATOM 822 O PHE A 55 -3.267 0.705 -4.562 1.00 0.00 O ATOM 823 CB PHE A 55 -5.360 1.914 -2.244 1.00 0.00 C ATOM 824 CG PHE A 55 -4.272 2.745 -1.618 1.00 0.00 C ATOM 825 CD1 PHE A 55 -2.993 2.764 -2.153 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.532 3.506 -0.490 1.00 0.00 C ATOM 827 CE1 PHE A 55 -1.996 3.527 -1.575 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.539 4.271 0.093 1.00 0.00 C ATOM 829 CZ PHE A 55 -2.269 4.281 -0.450 1.00 0.00 C ATOM 0 H PHE A 55 -7.336 1.607 -3.689 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.760 2.685 -4.151 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.327 2.350 -1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.337 0.916 -1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.773 2.176 -3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.523 3.502 -0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.004 3.534 -2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.756 4.860 0.972 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.491 4.877 0.004 1.00 0.00 H new ATOM 839 N ALA A 56 -5.002 -0.617 -4.003 1.00 0.00 N ATOM 840 CA ALA A 56 -4.302 -1.853 -4.346 1.00 0.00 C ATOM 841 C ALA A 56 -3.807 -1.806 -5.782 1.00 0.00 C ATOM 842 O ALA A 56 -2.644 -2.096 -6.061 1.00 0.00 O ATOM 843 CB ALA A 56 -5.204 -3.064 -4.148 1.00 0.00 C ATOM 0 H ALA A 56 -5.953 -0.749 -3.658 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.445 -1.947 -3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.659 -3.971 -4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.517 -3.118 -3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.083 -2.972 -4.786 1.00 0.00 H new ATOM 849 N GLN A 57 -4.701 -1.437 -6.693 1.00 0.00 N ATOM 850 CA GLN A 57 -4.348 -1.351 -8.104 1.00 0.00 C ATOM 851 C GLN A 57 -3.220 -0.344 -8.321 1.00 0.00 C ATOM 852 O GLN A 57 -2.262 -0.614 -9.046 1.00 0.00 O ATOM 853 CB GLN A 57 -5.570 -0.952 -8.934 1.00 0.00 C ATOM 854 CG GLN A 57 -6.708 -1.959 -8.864 1.00 0.00 C ATOM 855 CD GLN A 57 -7.102 -2.493 -10.227 1.00 0.00 C ATOM 856 OE1 GLN A 57 -7.244 -1.734 -11.186 1.00 0.00 O ATOM 857 NE2 GLN A 57 -7.279 -3.806 -10.321 1.00 0.00 N ATOM 0 H GLN A 57 -5.669 -1.194 -6.481 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.003 -2.333 -8.428 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.932 0.017 -8.590 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.268 -0.829 -9.974 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.413 -2.791 -8.224 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.574 -1.490 -8.398 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.151 -4.398 -9.500 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.543 -4.222 -11.214 1.00 0.00 H new ATOM 866 N THR A 58 -3.346 0.818 -7.689 1.00 0.00 N ATOM 867 CA THR A 58 -2.347 1.874 -7.815 1.00 0.00 C ATOM 868 C THR A 58 -1.016 1.475 -7.179 1.00 0.00 C ATOM 869 O THR A 58 0.035 1.562 -7.818 1.00 0.00 O ATOM 870 CB THR A 58 -2.859 3.164 -7.173 1.00 0.00 C ATOM 871 OG1 THR A 58 -3.113 2.970 -5.793 1.00 0.00 O ATOM 872 CG2 THR A 58 -4.132 3.684 -7.806 1.00 0.00 C ATOM 0 H THR A 58 -4.132 1.053 -7.083 1.00 0.00 H new ATOM 0 HA THR A 58 -2.176 2.037 -8.879 1.00 0.00 H new ATOM 0 HB THR A 58 -2.069 3.898 -7.330 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.417 2.051 -5.642 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.440 4.601 -7.303 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.955 3.891 -8.862 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.918 2.935 -7.710 1.00 0.00 H new ATOM 880 N VAL A 59 -1.059 1.051 -5.917 1.00 0.00 N ATOM 881 CA VAL A 59 0.152 0.662 -5.207 1.00 0.00 C ATOM 882 C VAL A 59 0.905 -0.428 -5.956 1.00 0.00 C ATOM 883 O VAL A 59 2.121 -0.348 -6.132 1.00 0.00 O ATOM 884 CB VAL A 59 -0.134 0.188 -3.766 1.00 0.00 C ATOM 885 CG1 VAL A 59 -0.955 -1.088 -3.748 1.00 0.00 C ATOM 886 CG2 VAL A 59 1.169 -0.018 -3.016 1.00 0.00 C ATOM 0 H VAL A 59 -1.916 0.969 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 59 0.770 1.558 -5.152 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.717 0.964 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.136 -1.390 -2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.908 -0.914 -4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.412 -1.878 -4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.956 -0.352 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.768 -0.771 -3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.721 0.921 -2.980 1.00 0.00 H new ATOM 896 N LEU A 60 0.177 -1.442 -6.400 1.00 0.00 N ATOM 897 CA LEU A 60 0.780 -2.541 -7.134 1.00 0.00 C ATOM 898 C LEU A 60 1.284 -2.064 -8.494 1.00 0.00 C ATOM 899 O LEU A 60 2.319 -2.520 -8.978 1.00 0.00 O ATOM 900 CB LEU A 60 -0.234 -3.671 -7.315 1.00 0.00 C ATOM 901 CG LEU A 60 0.209 -4.793 -8.255 1.00 0.00 C ATOM 902 CD1 LEU A 60 0.678 -6.004 -7.462 1.00 0.00 C ATOM 903 CD2 LEU A 60 -0.918 -5.177 -9.203 1.00 0.00 C ATOM 0 H LEU A 60 -0.831 -1.525 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 60 1.629 -2.915 -6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.454 -4.102 -6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.164 -3.247 -7.693 1.00 0.00 H new ATOM 0 HG LEU A 60 1.046 -4.428 -8.850 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.989 -6.791 -8.149 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.520 -5.721 -6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.138 -6.369 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.582 -5.977 -9.863 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.777 -5.519 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.203 -4.310 -9.799 1.00 0.00 H new ATOM 915 N SER A 61 0.537 -1.154 -9.108 1.00 0.00 N ATOM 916 CA SER A 61 0.899 -0.623 -10.418 1.00 0.00 C ATOM 917 C SER A 61 2.245 0.098 -10.392 1.00 0.00 C ATOM 918 O SER A 61 3.199 -0.343 -11.032 1.00 0.00 O ATOM 919 CB SER A 61 -0.180 0.328 -10.922 1.00 0.00 C ATOM 920 OG SER A 61 -1.340 -0.378 -11.325 1.00 0.00 O ATOM 0 H SER A 61 -0.324 -0.768 -8.720 1.00 0.00 H new ATOM 0 HA SER A 61 0.986 -1.472 -11.096 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.438 1.038 -10.136 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.206 0.907 -11.761 1.00 0.00 H new ATOM 0 HG SER A 61 -1.749 -0.808 -10.545 1.00 0.00 H new ATOM 926 N HIS A 62 2.326 1.213 -9.658 1.00 0.00 N ATOM 927 CA HIS A 62 3.561 1.972 -9.575 1.00 0.00 C ATOM 928 C HIS A 62 4.727 1.052 -9.233 1.00 0.00 C ATOM 929 O HIS A 62 5.789 1.117 -9.852 1.00 0.00 O ATOM 930 CB HIS A 62 3.418 3.087 -8.544 1.00 0.00 C ATOM 931 CG HIS A 62 3.610 2.639 -7.136 1.00 0.00 C ATOM 932 ND1 HIS A 62 2.564 2.409 -6.275 1.00 0.00 N ATOM 933 CD2 HIS A 62 4.736 2.369 -6.441 1.00 0.00 C ATOM 934 CE1 HIS A 62 3.038 2.015 -5.109 1.00 0.00 C ATOM 935 NE2 HIS A 62 4.351 1.983 -5.183 1.00 0.00 N ATOM 0 H HIS A 62 1.552 1.601 -9.119 1.00 0.00 H new ATOM 0 HA HIS A 62 3.767 2.426 -10.544 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.143 3.870 -8.767 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.428 3.533 -8.641 1.00 0.00 H new ATOM 0 HD1 HIS A 62 1.576 2.525 -6.502 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.749 2.443 -6.807 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.448 1.762 -4.241 1.00 0.00 H new ATOM 944 N VAL A 63 4.505 0.175 -8.261 1.00 0.00 N ATOM 945 CA VAL A 63 5.524 -0.784 -7.856 1.00 0.00 C ATOM 946 C VAL A 63 5.830 -1.731 -9.012 1.00 0.00 C ATOM 947 O VAL A 63 6.921 -1.704 -9.581 1.00 0.00 O ATOM 948 CB VAL A 63 5.070 -1.573 -6.615 1.00 0.00 C ATOM 949 CG1 VAL A 63 5.867 -2.854 -6.410 1.00 0.00 C ATOM 950 CG2 VAL A 63 5.149 -0.690 -5.384 1.00 0.00 C ATOM 0 H VAL A 63 3.630 0.109 -7.740 1.00 0.00 H new ATOM 0 HA VAL A 63 6.432 -0.241 -7.594 1.00 0.00 H new ATOM 0 HB VAL A 63 4.036 -1.874 -6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.504 -3.370 -5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.746 -3.501 -7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.922 -2.610 -6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.826 -1.255 -4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.177 -0.356 -5.241 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.501 0.176 -5.516 1.00 0.00 H new ATOM 960 N ALA A 64 4.841 -2.547 -9.365 1.00 0.00 N ATOM 961 CA ALA A 64 4.961 -3.496 -10.469 1.00 0.00 C ATOM 962 C ALA A 64 6.355 -4.129 -10.551 1.00 0.00 C ATOM 963 O ALA A 64 6.855 -4.377 -11.648 1.00 0.00 O ATOM 964 CB ALA A 64 4.628 -2.802 -11.781 1.00 0.00 C ATOM 0 H ALA A 64 3.936 -2.570 -8.896 1.00 0.00 H new ATOM 0 HA ALA A 64 4.253 -4.303 -10.282 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.719 -3.513 -12.602 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.608 -2.421 -11.742 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.319 -1.974 -11.940 1.00 0.00 H new ATOM 970 N ASN A 65 6.972 -4.387 -9.391 1.00 0.00 N ATOM 971 CA ASN A 65 8.315 -4.992 -9.326 1.00 0.00 C ATOM 972 C ASN A 65 9.020 -4.623 -8.017 1.00 0.00 C ATOM 973 O ASN A 65 9.051 -5.416 -7.076 1.00 0.00 O ATOM 974 CB ASN A 65 9.182 -4.560 -10.521 1.00 0.00 C ATOM 975 CG ASN A 65 10.650 -4.906 -10.343 1.00 0.00 C ATOM 976 OD1 ASN A 65 11.496 -4.023 -10.206 1.00 0.00 O ATOM 977 ND2 ASN A 65 10.958 -6.198 -10.344 1.00 0.00 N ATOM 0 H ASN A 65 6.563 -4.186 -8.479 1.00 0.00 H new ATOM 0 HA ASN A 65 8.184 -6.073 -9.365 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.808 -5.039 -11.426 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.083 -3.484 -10.665 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.928 -6.491 -10.228 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.224 -6.897 -10.461 1.00 0.00 H new ATOM 984 N VAL A 66 9.591 -3.415 -7.971 1.00 0.00 N ATOM 985 CA VAL A 66 10.301 -2.930 -6.784 1.00 0.00 C ATOM 986 C VAL A 66 11.238 -3.999 -6.213 1.00 0.00 C ATOM 987 O VAL A 66 11.690 -4.881 -6.943 1.00 0.00 O ATOM 988 CB VAL A 66 9.306 -2.450 -5.709 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.375 -1.409 -6.301 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.527 -3.618 -5.122 1.00 0.00 C ATOM 0 H VAL A 66 9.575 -2.753 -8.746 1.00 0.00 H new ATOM 0 HA VAL A 66 10.913 -2.082 -7.092 1.00 0.00 H new ATOM 0 HB VAL A 66 9.865 -1.993 -4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.673 -1.072 -5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.958 -0.560 -6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.824 -1.846 -7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.833 -3.250 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.969 -4.118 -5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.220 -4.324 -4.664 1.00 0.00 H new ATOM 1000 N VAL A 67 11.533 -3.926 -4.914 1.00 0.00 N ATOM 1001 CA VAL A 67 12.419 -4.905 -4.290 1.00 0.00 C ATOM 1002 C VAL A 67 12.304 -4.870 -2.768 1.00 0.00 C ATOM 1003 O VAL A 67 13.218 -4.455 -2.057 1.00 0.00 O ATOM 1004 CB VAL A 67 13.894 -4.716 -4.726 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.577 -3.590 -3.957 1.00 0.00 C ATOM 1006 CG2 VAL A 67 14.656 -6.020 -4.559 1.00 0.00 C ATOM 0 H VAL A 67 11.176 -3.209 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 67 12.094 -5.886 -4.637 1.00 0.00 H new ATOM 0 HB VAL A 67 13.897 -4.432 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.609 -3.493 -4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.047 -2.654 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.564 -3.817 -2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 67 15.692 -5.878 -4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 67 14.628 -6.327 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.196 -6.792 -5.176 1.00 0.00 H new ATOM 1016 N LEU A 68 11.160 -5.315 -2.282 1.00 0.00 N ATOM 1017 CA LEU A 68 10.880 -5.351 -0.857 1.00 0.00 C ATOM 1018 C LEU A 68 11.959 -6.087 -0.074 1.00 0.00 C ATOM 1019 O LEU A 68 12.041 -7.314 -0.114 1.00 0.00 O ATOM 1020 CB LEU A 68 9.530 -6.024 -0.633 1.00 0.00 C ATOM 1021 CG LEU A 68 8.391 -5.466 -1.489 1.00 0.00 C ATOM 1022 CD1 LEU A 68 7.858 -6.534 -2.428 1.00 0.00 C ATOM 1023 CD2 LEU A 68 7.277 -4.917 -0.613 1.00 0.00 C ATOM 0 H LEU A 68 10.398 -5.662 -2.864 1.00 0.00 H new ATOM 0 HA LEU A 68 10.862 -4.324 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.632 -7.090 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.259 -5.925 0.418 1.00 0.00 H new ATOM 0 HG LEU A 68 8.785 -4.646 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.049 -6.119 -3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.659 -6.874 -3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.483 -7.376 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.478 -4.526 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.884 -5.714 0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.669 -4.117 0.015 1.00 0.00 H new ATOM 1035 N THR A 69 12.769 -5.331 0.660 1.00 0.00 N ATOM 1036 CA THR A 69 13.822 -5.920 1.473 1.00 0.00 C ATOM 1037 C THR A 69 13.209 -6.645 2.664 1.00 0.00 C ATOM 1038 O THR A 69 11.986 -6.720 2.786 1.00 0.00 O ATOM 1039 CB THR A 69 14.804 -4.846 1.948 1.00 0.00 C ATOM 1040 OG1 THR A 69 14.143 -3.863 2.728 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.503 -4.132 0.811 1.00 0.00 C ATOM 0 H THR A 69 12.715 -4.314 0.707 1.00 0.00 H new ATOM 0 HA THR A 69 14.374 -6.638 0.866 1.00 0.00 H new ATOM 0 HB THR A 69 15.549 -5.380 2.538 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.363 -3.993 3.674 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.185 -3.384 1.216 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.066 -4.854 0.219 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.762 -3.643 0.178 1.00 0.00 H new ATOM 1049 N GLN A 70 14.052 -7.183 3.540 1.00 0.00 N ATOM 1050 CA GLN A 70 13.572 -7.906 4.718 1.00 0.00 C ATOM 1051 C GLN A 70 12.456 -7.132 5.423 1.00 0.00 C ATOM 1052 O GLN A 70 11.513 -7.721 5.967 1.00 0.00 O ATOM 1053 CB GLN A 70 14.728 -8.160 5.692 1.00 0.00 C ATOM 1054 CG GLN A 70 15.234 -6.906 6.388 1.00 0.00 C ATOM 1055 CD GLN A 70 15.736 -5.859 5.414 1.00 0.00 C ATOM 1056 OE1 GLN A 70 15.176 -4.767 5.315 1.00 0.00 O ATOM 1057 NE2 GLN A 70 16.797 -6.188 4.686 1.00 0.00 N ATOM 0 H GLN A 70 15.068 -7.134 3.459 1.00 0.00 H new ATOM 0 HA GLN A 70 13.168 -8.862 4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.404 -8.877 6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.553 -8.620 5.149 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.431 -6.481 6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.038 -7.175 7.073 1.00 0.00 H new ATOM 0 HE21 GLN A 70 17.230 -7.104 4.801 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.179 -5.524 4.012 1.00 0.00 H new ATOM 1066 N GLU A 71 12.567 -5.808 5.397 1.00 0.00 N ATOM 1067 CA GLU A 71 11.578 -4.946 6.027 1.00 0.00 C ATOM 1068 C GLU A 71 10.256 -5.004 5.278 1.00 0.00 C ATOM 1069 O GLU A 71 9.250 -5.467 5.814 1.00 0.00 O ATOM 1070 CB GLU A 71 12.085 -3.504 6.079 1.00 0.00 C ATOM 1071 CG GLU A 71 11.505 -2.697 7.230 1.00 0.00 C ATOM 1072 CD GLU A 71 12.565 -2.231 8.209 1.00 0.00 C ATOM 1073 OE1 GLU A 71 13.298 -1.275 7.880 1.00 0.00 O ATOM 1074 OE2 GLU A 71 12.661 -2.821 9.306 1.00 0.00 O ATOM 0 H GLU A 71 13.334 -5.310 4.945 1.00 0.00 H new ATOM 0 HA GLU A 71 11.416 -5.302 7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.172 -3.512 6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.842 -3.008 5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.978 -1.830 6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.769 -3.303 7.759 1.00 0.00 H new ATOM 1081 N ASP A 72 10.264 -4.530 4.037 1.00 0.00 N ATOM 1082 CA ASP A 72 9.062 -4.527 3.218 1.00 0.00 C ATOM 1083 C ASP A 72 8.465 -5.933 3.116 1.00 0.00 C ATOM 1084 O ASP A 72 7.250 -6.089 2.991 1.00 0.00 O ATOM 1085 CB ASP A 72 9.364 -3.964 1.834 1.00 0.00 C ATOM 1086 CG ASP A 72 9.994 -2.587 1.896 1.00 0.00 C ATOM 1087 OD1 ASP A 72 9.770 -1.877 2.899 1.00 0.00 O ATOM 1088 OD2 ASP A 72 10.710 -2.218 0.942 1.00 0.00 O ATOM 0 H ASP A 72 11.089 -4.144 3.578 1.00 0.00 H new ATOM 0 HA ASP A 72 8.323 -3.885 3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.033 -4.643 1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.441 -3.913 1.256 1.00 0.00 H new ATOM 1093 N THR A 73 9.315 -6.959 3.198 1.00 0.00 N ATOM 1094 CA THR A 73 8.834 -8.339 3.145 1.00 0.00 C ATOM 1095 C THR A 73 7.985 -8.614 4.373 1.00 0.00 C ATOM 1096 O THR A 73 6.789 -8.887 4.262 1.00 0.00 O ATOM 1097 CB THR A 73 9.991 -9.337 3.074 1.00 0.00 C ATOM 1098 OG1 THR A 73 11.080 -8.900 3.860 1.00 0.00 O ATOM 1099 CG2 THR A 73 10.497 -9.569 1.667 1.00 0.00 C ATOM 0 H THR A 73 10.325 -6.862 3.300 1.00 0.00 H new ATOM 0 HA THR A 73 8.238 -8.464 2.241 1.00 0.00 H new ATOM 0 HB THR A 73 9.586 -10.275 3.453 1.00 0.00 H new ATOM 0 HG1 THR A 73 10.873 -9.033 4.809 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.317 -10.287 1.689 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.689 -9.960 1.049 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.851 -8.627 1.248 1.00 0.00 H new ATOM 1107 N ALA A 74 8.594 -8.495 5.554 1.00 0.00 N ATOM 1108 CA ALA A 74 7.850 -8.687 6.794 1.00 0.00 C ATOM 1109 C ALA A 74 6.670 -7.719 6.818 1.00 0.00 C ATOM 1110 O ALA A 74 5.642 -7.970 7.448 1.00 0.00 O ATOM 1111 CB ALA A 74 8.752 -8.470 8.000 1.00 0.00 C ATOM 0 H ALA A 74 9.582 -8.271 5.675 1.00 0.00 H new ATOM 0 HA ALA A 74 7.478 -9.711 6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.178 -8.618 8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.577 -9.182 7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.148 -7.455 7.980 1.00 0.00 H new ATOM 1117 N LYS A 75 6.843 -6.616 6.093 1.00 0.00 N ATOM 1118 CA LYS A 75 5.830 -5.580 5.966 1.00 0.00 C ATOM 1119 C LYS A 75 4.531 -6.164 5.404 1.00 0.00 C ATOM 1120 O LYS A 75 3.508 -6.202 6.093 1.00 0.00 O ATOM 1121 CB LYS A 75 6.371 -4.491 5.040 1.00 0.00 C ATOM 1122 CG LYS A 75 5.970 -3.076 5.407 1.00 0.00 C ATOM 1123 CD LYS A 75 6.971 -2.428 6.346 1.00 0.00 C ATOM 1124 CE LYS A 75 8.292 -2.146 5.650 1.00 0.00 C ATOM 1125 NZ LYS A 75 8.931 -0.900 6.155 1.00 0.00 N ATOM 0 H LYS A 75 7.699 -6.418 5.574 1.00 0.00 H new ATOM 0 HA LYS A 75 5.606 -5.158 6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.459 -4.552 5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.031 -4.697 4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.883 -2.477 4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.987 -3.088 5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.557 -1.497 6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.143 -3.081 7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.968 -2.987 5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.125 -2.059 4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.821 -0.734 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.290 -0.095 6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.129 -0.999 7.171 1.00 0.00 H new ATOM 1139 N LEU A 76 4.582 -6.637 4.154 1.00 0.00 N ATOM 1140 CA LEU A 76 3.407 -7.236 3.521 1.00 0.00 C ATOM 1141 C LEU A 76 2.930 -8.425 4.338 1.00 0.00 C ATOM 1142 O LEU A 76 1.731 -8.647 4.500 1.00 0.00 O ATOM 1143 CB LEU A 76 3.716 -7.694 2.093 1.00 0.00 C ATOM 1144 CG LEU A 76 3.505 -6.633 1.010 1.00 0.00 C ATOM 1145 CD1 LEU A 76 4.742 -6.514 0.135 1.00 0.00 C ATOM 1146 CD2 LEU A 76 2.280 -6.961 0.165 1.00 0.00 C ATOM 0 H LEU A 76 5.416 -6.616 3.567 1.00 0.00 H new ATOM 0 HA LEU A 76 2.626 -6.477 3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.752 -8.031 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.091 -8.556 1.861 1.00 0.00 H new ATOM 0 HG LEU A 76 3.334 -5.674 1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.575 -5.755 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.596 -6.228 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.943 -7.473 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.149 -6.194 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.417 -7.930 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.396 -6.994 0.802 1.00 0.00 H new ATOM 1158 N LEU A 77 3.890 -9.187 4.856 1.00 0.00 N ATOM 1159 CA LEU A 77 3.588 -10.358 5.666 1.00 0.00 C ATOM 1160 C LEU A 77 2.632 -9.998 6.792 1.00 0.00 C ATOM 1161 O LEU A 77 1.671 -10.718 7.061 1.00 0.00 O ATOM 1162 CB LEU A 77 4.877 -10.945 6.244 1.00 0.00 C ATOM 1163 CG LEU A 77 5.256 -12.315 5.686 1.00 0.00 C ATOM 1164 CD1 LEU A 77 6.692 -12.314 5.186 1.00 0.00 C ATOM 1165 CD2 LEU A 77 5.054 -13.399 6.735 1.00 0.00 C ATOM 0 H LEU A 77 4.886 -9.011 4.727 1.00 0.00 H new ATOM 0 HA LEU A 77 3.111 -11.103 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.695 -10.250 6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.772 -11.024 7.326 1.00 0.00 H new ATOM 0 HG LEU A 77 4.601 -12.531 4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.941 -13.300 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.802 -11.570 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.364 -12.072 6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.330 -14.367 6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.680 -13.187 7.602 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.008 -13.421 7.039 1.00 0.00 H new ATOM 1177 N GLN A 78 2.903 -8.878 7.446 1.00 0.00 N ATOM 1178 CA GLN A 78 2.067 -8.425 8.542 1.00 0.00 C ATOM 1179 C GLN A 78 0.731 -7.905 8.027 1.00 0.00 C ATOM 1180 O GLN A 78 -0.328 -8.401 8.411 1.00 0.00 O ATOM 1181 CB GLN A 78 2.781 -7.334 9.343 1.00 0.00 C ATOM 1182 CG GLN A 78 3.898 -7.860 10.228 1.00 0.00 C ATOM 1183 CD GLN A 78 4.586 -6.760 11.012 1.00 0.00 C ATOM 1184 OE1 GLN A 78 4.487 -6.701 12.238 1.00 0.00 O ATOM 1185 NE2 GLN A 78 5.289 -5.881 10.307 1.00 0.00 N ATOM 0 H GLN A 78 3.694 -8.269 7.236 1.00 0.00 H new ATOM 0 HA GLN A 78 1.877 -9.276 9.196 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.193 -6.598 8.652 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.051 -6.815 9.964 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.491 -8.596 10.922 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.633 -8.376 9.611 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.344 -5.968 9.292 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.774 -5.119 10.780 1.00 0.00 H new ATOM 1194 N SER A 79 0.787 -6.903 7.157 1.00 0.00 N ATOM 1195 CA SER A 79 -0.424 -6.313 6.592 1.00 0.00 C ATOM 1196 C SER A 79 -1.288 -7.365 5.898 1.00 0.00 C ATOM 1197 O SER A 79 -2.496 -7.182 5.744 1.00 0.00 O ATOM 1198 CB SER A 79 -0.061 -5.202 5.602 1.00 0.00 C ATOM 1199 OG SER A 79 1.343 -5.103 5.434 1.00 0.00 O ATOM 0 H SER A 79 1.655 -6.482 6.827 1.00 0.00 H new ATOM 0 HA SER A 79 -1.001 -5.890 7.414 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.532 -5.401 4.639 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.455 -4.250 5.959 1.00 0.00 H new ATOM 0 HG SER A 79 1.553 -5.020 4.480 1.00 0.00 H new ATOM 1205 N THR A 80 -0.665 -8.459 5.471 1.00 0.00 N ATOM 1206 CA THR A 80 -1.383 -9.527 4.784 1.00 0.00 C ATOM 1207 C THR A 80 -1.805 -10.633 5.749 1.00 0.00 C ATOM 1208 O THR A 80 -2.987 -10.957 5.857 1.00 0.00 O ATOM 1209 CB THR A 80 -0.514 -10.113 3.670 1.00 0.00 C ATOM 1210 OG1 THR A 80 -0.083 -9.097 2.782 1.00 0.00 O ATOM 1211 CG2 THR A 80 -1.224 -11.168 2.850 1.00 0.00 C ATOM 0 H THR A 80 0.334 -8.629 5.588 1.00 0.00 H new ATOM 0 HA THR A 80 -2.286 -9.095 4.353 1.00 0.00 H new ATOM 0 HB THR A 80 0.331 -10.578 4.178 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.594 -8.542 3.223 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.552 -11.542 2.078 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.525 -11.991 3.498 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.107 -10.732 2.382 1.00 0.00 H new ATOM 1322 N ASN A 87 -4.067 -12.375 -0.300 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.416 -11.326 -1.251 1.00 0.00 C ATOM 1324 C ASN A 87 -3.194 -10.916 -2.066 1.00 0.00 C ATOM 1325 O ASN A 87 -3.243 -10.808 -3.304 1.00 0.00 O ATOM 1326 CB ASN A 87 -4.979 -10.112 -0.513 1.00 0.00 C ATOM 1327 CG ASN A 87 -4.045 -9.601 0.565 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -3.789 -10.284 1.557 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -3.531 -8.390 0.377 1.00 0.00 N ATOM 0 HA ASN A 87 -5.175 -11.715 -1.930 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.173 -9.314 -1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.936 -10.376 -0.064 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.897 -7.992 1.070 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.770 -7.859 -0.460 1.00 0.00 H new ATOM 1336 N TYR A 88 -2.089 -10.684 -1.371 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.869 -10.291 -2.034 1.00 0.00 C ATOM 1338 C TYR A 88 0.146 -11.422 -1.997 1.00 0.00 C ATOM 1339 O TYR A 88 0.288 -12.118 -0.992 1.00 0.00 O ATOM 1340 CB TYR A 88 -0.309 -9.009 -1.413 1.00 0.00 C ATOM 1341 CG TYR A 88 -0.879 -7.756 -2.045 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -2.227 -7.677 -2.376 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -0.070 -6.666 -2.336 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -2.751 -6.552 -2.979 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -0.589 -5.533 -2.935 1.00 0.00 C ATOM 1346 CZ TYR A 88 -1.930 -5.483 -3.256 1.00 0.00 C ATOM 1347 OH TYR A 88 -2.452 -4.360 -3.861 1.00 0.00 O ATOM 0 H TYR A 88 -2.019 -10.762 -0.356 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.090 -10.081 -3.080 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.526 -9.003 -0.345 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.776 -9.003 -1.518 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.876 -8.512 -2.157 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.981 -6.704 -2.091 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.800 -6.511 -3.232 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.052 -4.691 -3.151 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.176 -3.562 -3.363 1.00 0.00 H new ATOM 1357 N ASP A 89 0.826 -11.616 -3.117 1.00 0.00 N ATOM 1358 CA ASP A 89 1.799 -12.665 -3.258 1.00 0.00 C ATOM 1359 C ASP A 89 3.205 -12.067 -3.195 1.00 0.00 C ATOM 1360 O ASP A 89 3.418 -10.901 -3.545 1.00 0.00 O ATOM 1361 CB ASP A 89 1.498 -13.379 -4.583 1.00 0.00 C ATOM 1362 CG ASP A 89 2.728 -13.811 -5.362 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.705 -14.266 -4.732 1.00 0.00 O ATOM 1364 OD2 ASP A 89 2.707 -13.705 -6.605 1.00 0.00 O ATOM 0 H ASP A 89 0.711 -11.042 -3.952 1.00 0.00 H new ATOM 0 HA ASP A 89 1.747 -13.396 -2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.888 -14.258 -4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.901 -12.717 -5.210 1.00 0.00 H new ATOM 1369 N LEU A 90 4.154 -12.846 -2.716 1.00 0.00 N ATOM 1370 CA LEU A 90 5.519 -12.351 -2.576 1.00 0.00 C ATOM 1371 C LEU A 90 6.568 -13.376 -2.996 1.00 0.00 C ATOM 1372 O LEU A 90 6.424 -14.577 -2.764 1.00 0.00 O ATOM 1373 CB LEU A 90 5.772 -11.929 -1.124 1.00 0.00 C ATOM 1374 CG LEU A 90 5.356 -10.496 -0.767 1.00 0.00 C ATOM 1375 CD1 LEU A 90 5.786 -10.159 0.652 1.00 0.00 C ATOM 1376 CD2 LEU A 90 5.950 -9.503 -1.757 1.00 0.00 C ATOM 0 H LEU A 90 4.014 -13.812 -2.419 1.00 0.00 H new ATOM 0 HA LEU A 90 5.616 -11.496 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.240 -12.617 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.835 -12.043 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 90 4.270 -10.427 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.484 -9.139 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.313 -10.850 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.869 -10.245 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.644 -8.492 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.038 -9.571 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.595 -9.734 -2.761 1.00 0.00 H new ATOM 1388 N ARG A 91 7.644 -12.866 -3.586 1.00 0.00 N ATOM 1389 CA ARG A 91 8.770 -13.683 -4.022 1.00 0.00 C ATOM 1390 C ARG A 91 10.052 -13.015 -3.547 1.00 0.00 C ATOM 1391 O ARG A 91 10.356 -11.899 -3.960 1.00 0.00 O ATOM 1392 CB ARG A 91 8.777 -13.829 -5.545 1.00 0.00 C ATOM 1393 CG ARG A 91 9.781 -14.851 -6.055 1.00 0.00 C ATOM 1394 CD ARG A 91 9.248 -15.603 -7.264 1.00 0.00 C ATOM 1395 NE ARG A 91 9.944 -15.228 -8.493 1.00 0.00 N ATOM 1396 CZ ARG A 91 11.233 -15.472 -8.718 1.00 0.00 C ATOM 1397 NH1 ARG A 91 11.968 -16.089 -7.801 1.00 0.00 N ATOM 1398 NH2 ARG A 91 11.788 -15.099 -9.863 1.00 0.00 N ATOM 0 H ARG A 91 7.760 -11.871 -3.776 1.00 0.00 H new ATOM 0 HA ARG A 91 8.687 -14.683 -3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.779 -14.115 -5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.998 -12.860 -5.993 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.711 -14.348 -6.320 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.016 -15.559 -5.260 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.355 -16.675 -7.100 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.182 -15.402 -7.375 1.00 0.00 H new ATOM 0 HE ARG A 91 9.411 -14.752 -9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.545 -16.379 -6.919 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.955 -16.274 -7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.227 -14.625 -10.571 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.776 -15.286 -10.036 1.00 0.00 H new ATOM 1412 N SER A 92 10.780 -13.664 -2.644 1.00 0.00 N ATOM 1413 CA SER A 92 11.988 -13.059 -2.093 1.00 0.00 C ATOM 1414 C SER A 92 13.276 -13.640 -2.657 1.00 0.00 C ATOM 1415 O SER A 92 13.375 -14.829 -2.960 1.00 0.00 O ATOM 1416 CB SER A 92 11.994 -13.189 -0.570 1.00 0.00 C ATOM 1417 OG SER A 92 10.698 -12.989 -0.034 1.00 0.00 O ATOM 0 H SER A 92 10.561 -14.592 -2.283 1.00 0.00 H new ATOM 0 HA SER A 92 11.961 -12.010 -2.388 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.359 -14.177 -0.288 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.684 -12.461 -0.143 1.00 0.00 H new ATOM 0 HG SER A 92 10.245 -12.276 -0.530 1.00 0.00 H new ATOM 1423 N VAL A 93 14.266 -12.759 -2.769 1.00 0.00 N ATOM 1424 CA VAL A 93 15.582 -13.100 -3.265 1.00 0.00 C ATOM 1425 C VAL A 93 16.583 -12.052 -2.767 1.00 0.00 C ATOM 1426 O VAL A 93 16.593 -11.714 -1.578 1.00 0.00 O ATOM 1427 CB VAL A 93 15.602 -13.174 -4.805 1.00 0.00 C ATOM 1428 CG1 VAL A 93 14.853 -14.405 -5.291 1.00 0.00 C ATOM 1429 CG2 VAL A 93 15.010 -11.908 -5.408 1.00 0.00 C ATOM 0 H VAL A 93 14.168 -11.777 -2.512 1.00 0.00 H new ATOM 0 HA VAL A 93 15.857 -14.086 -2.890 1.00 0.00 H new ATOM 0 HB VAL A 93 16.638 -13.255 -5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 93 14.878 -14.440 -6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 93 15.326 -15.301 -4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.818 -14.358 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 93 15.032 -11.978 -6.496 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.979 -11.793 -5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.594 -11.045 -5.088 1.00 0.00 H new ATOM 1467 N ASN A 97 16.567 -9.065 -0.245 1.00 0.00 N ATOM 1468 CA ASN A 97 15.464 -8.333 -0.849 1.00 0.00 C ATOM 1469 C ASN A 97 14.450 -9.274 -1.473 1.00 0.00 C ATOM 1470 O ASN A 97 14.705 -10.461 -1.646 1.00 0.00 O ATOM 1471 CB ASN A 97 15.941 -7.308 -1.890 1.00 0.00 C ATOM 1472 CG ASN A 97 17.441 -7.323 -2.129 1.00 0.00 C ATOM 1473 OD1 ASN A 97 18.211 -7.030 -1.088 1.00 0.00 O flip ATOM 1474 ND2 ASN A 97 17.901 -7.576 -3.242 1.00 0.00 N flip ATOM 0 HA ASN A 97 14.983 -7.785 -0.039 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.431 -7.500 -2.834 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.645 -6.311 -1.565 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.273 -7.796 -4.015 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.910 -7.565 -3.391 1.00 0.00 H new ATOM 1481 N SER A 98 13.288 -8.735 -1.792 1.00 0.00 N ATOM 1482 CA SER A 98 12.224 -9.518 -2.377 1.00 0.00 C ATOM 1483 C SER A 98 11.424 -8.680 -3.351 1.00 0.00 C ATOM 1484 O SER A 98 11.514 -7.458 -3.355 1.00 0.00 O ATOM 1485 CB SER A 98 11.304 -10.037 -1.280 1.00 0.00 C ATOM 1486 OG SER A 98 10.202 -10.744 -1.821 1.00 0.00 O ATOM 0 H SER A 98 13.060 -7.751 -1.653 1.00 0.00 H new ATOM 0 HA SER A 98 12.665 -10.358 -2.913 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.865 -10.690 -0.612 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.943 -9.201 -0.680 1.00 0.00 H new ATOM 0 HG SER A 98 10.367 -10.931 -2.769 1.00 0.00 H new ATOM 1492 N VAL A 99 10.634 -9.345 -4.164 1.00 0.00 N ATOM 1493 CA VAL A 99 9.800 -8.672 -5.135 1.00 0.00 C ATOM 1494 C VAL A 99 8.334 -8.921 -4.807 1.00 0.00 C ATOM 1495 O VAL A 99 7.995 -9.940 -4.200 1.00 0.00 O ATOM 1496 CB VAL A 99 10.119 -9.163 -6.557 1.00 0.00 C ATOM 1497 CG1 VAL A 99 8.900 -9.061 -7.459 1.00 0.00 C ATOM 1498 CG2 VAL A 99 11.289 -8.385 -7.139 1.00 0.00 C ATOM 0 H VAL A 99 10.551 -10.362 -4.171 1.00 0.00 H new ATOM 0 HA VAL A 99 10.002 -7.602 -5.092 1.00 0.00 H new ATOM 0 HB VAL A 99 10.400 -10.214 -6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 99 9.156 -9.415 -8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.094 -9.672 -7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.574 -8.022 -7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.501 -8.746 -8.146 1.00 0.00 H new ATOM 0 HG22 VAL A 99 11.037 -7.325 -7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.168 -8.526 -6.510 1.00 0.00 H new ATOM 1508 N LEU A 100 7.466 -7.996 -5.199 1.00 0.00 N ATOM 1509 CA LEU A 100 6.050 -8.152 -4.918 1.00 0.00 C ATOM 1510 C LEU A 100 5.257 -8.556 -6.146 1.00 0.00 C ATOM 1511 O LEU A 100 5.256 -7.872 -7.169 1.00 0.00 O ATOM 1512 CB LEU A 100 5.452 -6.885 -4.319 1.00 0.00 C ATOM 1513 CG LEU A 100 3.973 -6.610 -4.667 1.00 0.00 C ATOM 1514 CD1 LEU A 100 3.088 -6.715 -3.433 1.00 0.00 C ATOM 1515 CD2 LEU A 100 3.819 -5.247 -5.322 1.00 0.00 C ATOM 0 H LEU A 100 7.715 -7.145 -5.704 1.00 0.00 H new ATOM 0 HA LEU A 100 5.978 -8.958 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.546 -6.939 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.048 -6.034 -4.649 1.00 0.00 H new ATOM 0 HG LEU A 100 3.650 -7.372 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.053 -6.516 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.165 -7.718 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.411 -5.986 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.769 -5.074 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.169 -4.473 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.408 -5.215 -6.239 1.00 0.00 H new ATOM 1527 N VAL A 101 4.523 -9.634 -5.983 1.00 0.00 N ATOM 1528 CA VAL A 101 3.629 -10.137 -7.001 1.00 0.00 C ATOM 1529 C VAL A 101 2.316 -10.369 -6.288 1.00 0.00 C ATOM 1530 O VAL A 101 2.236 -11.193 -5.394 1.00 0.00 O ATOM 1531 CB VAL A 101 4.131 -11.444 -7.650 1.00 0.00 C ATOM 1532 CG1 VAL A 101 4.918 -11.143 -8.917 1.00 0.00 C ATOM 1533 CG2 VAL A 101 4.975 -12.247 -6.669 1.00 0.00 C ATOM 0 H VAL A 101 4.530 -10.192 -5.129 1.00 0.00 H new ATOM 0 HA VAL A 101 3.547 -9.427 -7.824 1.00 0.00 H new ATOM 0 HB VAL A 101 3.263 -12.046 -7.920 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.264 -12.076 -9.361 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.278 -10.619 -9.627 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.776 -10.518 -8.672 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.317 -13.164 -7.149 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.837 -11.655 -6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.376 -12.498 -5.794 1.00 0.00 H new ATOM 1543 N SER A 102 1.309 -9.584 -6.577 1.00 0.00 N ATOM 1544 CA SER A 102 0.089 -9.723 -5.816 1.00 0.00 C ATOM 1545 C SER A 102 -1.151 -9.305 -6.546 1.00 0.00 C ATOM 1546 O SER A 102 -1.097 -8.582 -7.538 1.00 0.00 O ATOM 1547 CB SER A 102 0.200 -8.858 -4.568 1.00 0.00 C ATOM 1548 OG SER A 102 0.618 -7.547 -4.899 1.00 0.00 O ATOM 0 H SER A 102 1.303 -8.868 -7.304 1.00 0.00 H new ATOM 0 HA SER A 102 -0.012 -10.786 -5.597 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.764 -8.820 -4.060 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.909 -9.306 -3.872 1.00 0.00 H new ATOM 0 HG SER A 102 0.111 -6.898 -4.367 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.273 -9.724 -5.959 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.600 -9.381 -6.423 1.00 0.00 C ATOM 1556 C LEU A 103 -4.542 -10.576 -6.425 1.00 0.00 C ATOM 1557 O LEU A 103 -4.900 -11.106 -7.477 1.00 0.00 O ATOM 1558 CB LEU A 103 -3.630 -8.681 -7.792 1.00 0.00 C ATOM 1559 CG LEU A 103 -3.880 -7.168 -7.745 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.364 -6.878 -7.589 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -3.093 -6.519 -6.612 1.00 0.00 C ATOM 0 H LEU A 103 -2.275 -10.322 -5.133 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.956 -8.655 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.680 -8.861 -8.295 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.406 -9.143 -8.402 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.537 -6.741 -8.687 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.523 -5.800 -7.557 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.908 -7.300 -8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.727 -7.325 -6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.288 -5.447 -6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.400 -6.953 -5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.028 -6.692 -6.763 1.00 0.00 H new ATOM 1573 N ARG A 104 -4.974 -10.956 -5.234 1.00 0.00 N ATOM 1574 CA ARG A 104 -5.922 -12.046 -5.063 1.00 0.00 C ATOM 1575 C ARG A 104 -7.265 -11.450 -4.644 1.00 0.00 C ATOM 1576 O ARG A 104 -8.050 -12.069 -3.926 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.405 -13.027 -4.010 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.809 -14.295 -4.594 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.520 -14.010 -5.349 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.343 -14.433 -4.594 1.00 0.00 N ATOM 1581 CZ ARG A 104 -1.933 -15.697 -4.508 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -2.590 -16.660 -5.142 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -0.862 -15.998 -3.786 1.00 0.00 N ATOM 0 H ARG A 104 -4.679 -10.520 -4.361 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.044 -12.596 -5.996 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.650 -12.528 -3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.225 -13.295 -3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.613 -15.008 -3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.530 -14.761 -5.266 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.540 -14.525 -6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.451 -12.943 -5.561 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.804 -13.719 -4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.414 -16.434 -5.699 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.271 -17.626 -5.072 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.353 -15.262 -3.297 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.547 -16.966 -3.720 1.00 0.00 H new ATOM 1597 N SER A 105 -7.480 -10.211 -5.098 1.00 0.00 N ATOM 1598 CA SER A 105 -8.670 -9.418 -4.809 1.00 0.00 C ATOM 1599 C SER A 105 -8.276 -7.950 -4.902 1.00 0.00 C ATOM 1600 O SER A 105 -7.085 -7.638 -4.892 1.00 0.00 O ATOM 1601 CB SER A 105 -9.227 -9.724 -3.418 1.00 0.00 C ATOM 1602 OG SER A 105 -10.127 -10.818 -3.456 1.00 0.00 O ATOM 0 H SER A 105 -6.810 -9.723 -5.692 1.00 0.00 H new ATOM 0 HA SER A 105 -9.454 -9.661 -5.527 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.407 -9.948 -2.736 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.736 -8.844 -3.026 1.00 0.00 H new ATOM 0 HG SER A 105 -9.706 -11.572 -3.918 1.00 0.00 H new ATOM 1608 N ASP A 106 -9.239 -7.042 -5.009 1.00 0.00 N ATOM 1609 CA ASP A 106 -8.887 -5.633 -5.118 1.00 0.00 C ATOM 1610 C ASP A 106 -9.141 -4.880 -3.819 1.00 0.00 C ATOM 1611 O ASP A 106 -10.267 -4.483 -3.526 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.695 -4.996 -6.247 1.00 0.00 C ATOM 1613 CG ASP A 106 -8.899 -4.872 -7.531 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -8.157 -5.820 -7.864 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -9.017 -3.827 -8.204 1.00 0.00 O ATOM 0 H ASP A 106 -10.238 -7.246 -5.022 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.820 -5.569 -5.333 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.588 -5.593 -6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -10.032 -4.007 -5.935 1.00 0.00 H new ATOM 1620 N GLN A 107 -8.066 -4.649 -3.069 1.00 0.00 N ATOM 1621 CA GLN A 107 -8.134 -3.898 -1.823 1.00 0.00 C ATOM 1622 C GLN A 107 -6.742 -3.563 -1.322 1.00 0.00 C ATOM 1623 O GLN A 107 -5.760 -4.179 -1.734 1.00 0.00 O ATOM 1624 CB GLN A 107 -8.904 -4.655 -0.754 1.00 0.00 C ATOM 1625 CG GLN A 107 -10.346 -4.203 -0.635 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.021 -4.747 0.595 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -10.623 -5.942 1.019 1.00 0.00 O flip ATOM 1628 NE2 GLN A 107 -11.881 -4.093 1.169 1.00 0.00 N flip ATOM 0 H GLN A 107 -7.130 -4.976 -3.308 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.669 -2.971 -2.031 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.880 -5.721 -0.982 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.407 -4.523 0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.381 -3.114 -0.613 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.898 -4.522 -1.519 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.154 -3.180 0.806 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.325 -4.461 2.010 1.00 0.00 H new ATOM 1637 N MET A 108 -6.659 -2.612 -0.407 1.00 0.00 N ATOM 1638 CA MET A 108 -5.379 -2.242 0.164 1.00 0.00 C ATOM 1639 C MET A 108 -5.534 -1.395 1.414 1.00 0.00 C ATOM 1640 O MET A 108 -6.317 -0.445 1.450 1.00 0.00 O ATOM 1641 CB MET A 108 -4.521 -1.503 -0.859 1.00 0.00 C ATOM 1642 CG MET A 108 -3.030 -1.624 -0.590 1.00 0.00 C ATOM 1643 SD MET A 108 -2.328 -3.153 -1.238 1.00 0.00 S ATOM 1644 CE MET A 108 -2.842 -4.336 0.005 1.00 0.00 C ATOM 0 H MET A 108 -7.456 -2.087 -0.047 1.00 0.00 H new ATOM 0 HA MET A 108 -4.881 -3.169 0.448 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.737 -1.893 -1.854 1.00 0.00 H new ATOM 0 HB3 MET A 108 -4.799 -0.449 -0.863 1.00 0.00 H new ATOM 0 HG2 MET A 108 -2.514 -0.774 -1.037 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.854 -1.575 0.485 1.00 0.00 H new ATOM 0 HE1 MET A 108 -2.091 -5.121 0.093 1.00 0.00 H new ATOM 0 HE2 MET A 108 -2.953 -3.831 0.964 1.00 0.00 H new ATOM 0 HE3 MET A 108 -3.795 -4.778 -0.285 1.00 0.00 H new ATOM 1654 N THR A 109 -4.755 -1.737 2.428 1.00 0.00 N ATOM 1655 CA THR A 109 -4.763 -1.007 3.682 1.00 0.00 C ATOM 1656 C THR A 109 -3.529 -0.110 3.743 1.00 0.00 C ATOM 1657 O THR A 109 -2.571 -0.314 2.998 1.00 0.00 O ATOM 1658 CB THR A 109 -4.796 -1.982 4.871 1.00 0.00 C ATOM 1659 OG1 THR A 109 -5.786 -1.596 5.807 1.00 0.00 O ATOM 1660 CG2 THR A 109 -3.483 -2.097 5.621 1.00 0.00 C ATOM 0 H THR A 109 -4.105 -2.522 2.404 1.00 0.00 H new ATOM 0 HA THR A 109 -5.657 -0.387 3.740 1.00 0.00 H new ATOM 0 HB THR A 109 -5.016 -2.952 4.424 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.367 -1.101 6.541 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.594 -2.804 6.443 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.706 -2.449 4.942 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.204 -1.121 6.018 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.564 0.896 4.607 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.455 1.834 4.729 1.00 0.00 C ATOM 1670 C LEU A 110 -1.104 1.124 4.780 1.00 0.00 C ATOM 1671 O LEU A 110 -0.213 1.426 3.985 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.637 2.721 5.957 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.562 3.914 5.744 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -4.323 4.207 7.019 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -2.760 5.129 5.298 1.00 0.00 C ATOM 0 H LEU A 110 -4.347 1.084 5.233 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.460 2.458 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.030 2.114 6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.660 3.087 6.273 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.280 3.676 4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.982 5.060 6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.917 3.336 7.297 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.619 4.436 7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.432 5.974 5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.025 5.380 6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.248 4.904 4.362 1.00 0.00 H new ATOM 1687 N GLN A 111 -0.945 0.186 5.711 1.00 0.00 N ATOM 1688 CA GLN A 111 0.316 -0.545 5.835 1.00 0.00 C ATOM 1689 C GLN A 111 0.788 -1.061 4.474 1.00 0.00 C ATOM 1690 O GLN A 111 1.825 -0.636 3.965 1.00 0.00 O ATOM 1691 CB GLN A 111 0.178 -1.715 6.817 1.00 0.00 C ATOM 1692 CG GLN A 111 1.340 -2.705 6.765 1.00 0.00 C ATOM 1693 CD GLN A 111 2.569 -2.225 7.518 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.142 -1.108 7.081 1.00 0.00 O flip ATOM 1695 NE2 GLN A 111 2.999 -2.854 8.485 1.00 0.00 N flip ATOM 0 H GLN A 111 -1.663 -0.084 6.383 1.00 0.00 H new ATOM 0 HA GLN A 111 1.061 0.150 6.222 1.00 0.00 H new ATOM 0 HB2 GLN A 111 0.095 -1.319 7.829 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.750 -2.247 6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.016 -3.658 7.182 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.608 -2.887 5.724 1.00 0.00 H new ATOM 0 HE21 GLN A 111 2.529 -3.707 8.788 1.00 0.00 H new ATOM 0 HE22 GLN A 111 3.825 -2.522 8.983 1.00 0.00 H new ATOM 1704 N ASP A 112 0.019 -1.981 3.895 1.00 0.00 N ATOM 1705 CA ASP A 112 0.353 -2.565 2.596 1.00 0.00 C ATOM 1706 C ASP A 112 0.734 -1.486 1.586 1.00 0.00 C ATOM 1707 O ASP A 112 1.731 -1.610 0.867 1.00 0.00 O ATOM 1708 CB ASP A 112 -0.828 -3.377 2.066 1.00 0.00 C ATOM 1709 CG ASP A 112 -0.620 -4.871 2.220 1.00 0.00 C ATOM 1710 OD1 ASP A 112 0.549 -5.311 2.217 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -1.626 -5.600 2.345 1.00 0.00 O ATOM 0 H ASP A 112 -0.843 -2.340 4.306 1.00 0.00 H new ATOM 0 HA ASP A 112 1.212 -3.222 2.734 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.734 -3.083 2.596 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.984 -3.142 1.013 1.00 0.00 H new ATOM 1716 N ALA A 113 -0.064 -0.427 1.536 1.00 0.00 N ATOM 1717 CA ALA A 113 0.191 0.671 0.618 1.00 0.00 C ATOM 1718 C ALA A 113 1.627 1.172 0.763 1.00 0.00 C ATOM 1719 O ALA A 113 2.416 1.130 -0.186 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.793 1.805 0.862 1.00 0.00 C ATOM 0 H ALA A 113 -0.892 -0.307 2.120 1.00 0.00 H new ATOM 0 HA ALA A 113 0.056 0.306 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.589 2.620 0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.810 1.444 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.686 2.166 1.885 1.00 0.00 H new ATOM 1726 N LYS A 114 1.961 1.640 1.964 1.00 0.00 N ATOM 1727 CA LYS A 114 3.299 2.142 2.236 1.00 0.00 C ATOM 1728 C LYS A 114 4.333 1.024 2.137 1.00 0.00 C ATOM 1729 O LYS A 114 5.512 1.284 1.916 1.00 0.00 O ATOM 1730 CB LYS A 114 3.355 2.825 3.613 1.00 0.00 C ATOM 1731 CG LYS A 114 3.838 1.940 4.759 1.00 0.00 C ATOM 1732 CD LYS A 114 2.799 1.845 5.861 1.00 0.00 C ATOM 1733 CE LYS A 114 2.529 3.188 6.509 1.00 0.00 C ATOM 1734 NZ LYS A 114 1.399 3.900 5.856 1.00 0.00 N ATOM 0 H LYS A 114 1.324 1.681 2.759 1.00 0.00 H new ATOM 0 HA LYS A 114 3.541 2.888 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.011 3.693 3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.360 3.197 3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.062 0.942 4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.766 2.342 5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.871 1.448 5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.139 1.139 6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.305 3.043 7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.426 3.804 6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.113 4.709 6.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.698 4.240 4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.595 3.249 5.748 1.00 0.00 H new ATOM 1748 N VAL A 115 3.886 -0.223 2.294 1.00 0.00 N ATOM 1749 CA VAL A 115 4.792 -1.363 2.208 1.00 0.00 C ATOM 1750 C VAL A 115 5.421 -1.424 0.823 1.00 0.00 C ATOM 1751 O VAL A 115 6.649 -1.304 0.652 1.00 0.00 O ATOM 1752 CB VAL A 115 4.054 -2.694 2.474 1.00 0.00 C ATOM 1753 CG1 VAL A 115 4.933 -3.886 2.121 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.591 -2.780 3.916 1.00 0.00 C ATOM 0 H VAL A 115 2.913 -0.465 2.479 1.00 0.00 H new ATOM 0 HA VAL A 115 5.561 -1.228 2.969 1.00 0.00 H new ATOM 0 HB VAL A 115 3.173 -2.720 1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.389 -4.810 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.201 -3.840 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.839 -3.862 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.075 -3.726 4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.454 -2.720 4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.911 -1.955 4.130 1.00 0.00 H new ATOM 1764 N LEU A 116 4.562 -1.595 -0.172 1.00 0.00 N ATOM 1765 CA LEU A 116 5.007 -1.665 -1.542 1.00 0.00 C ATOM 1766 C LEU A 116 5.673 -0.363 -1.926 1.00 0.00 C ATOM 1767 O LEU A 116 6.683 -0.364 -2.616 1.00 0.00 O ATOM 1768 CB LEU A 116 3.829 -1.944 -2.471 1.00 0.00 C ATOM 1769 CG LEU A 116 3.359 -3.395 -2.521 1.00 0.00 C ATOM 1770 CD1 LEU A 116 2.990 -3.887 -1.131 1.00 0.00 C ATOM 1771 CD2 LEU A 116 2.178 -3.527 -3.467 1.00 0.00 C ATOM 0 H LEU A 116 3.554 -1.687 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 116 5.724 -2.480 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.990 -1.319 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.103 -1.635 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 116 4.175 -4.014 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.657 -4.923 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.861 -3.821 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.187 -3.270 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.850 -4.566 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.360 -2.897 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.476 -3.213 -4.467 1.00 0.00 H new ATOM 1783 N LEU A 117 5.109 0.751 -1.463 1.00 0.00 N ATOM 1784 CA LEU A 117 5.684 2.051 -1.764 1.00 0.00 C ATOM 1785 C LEU A 117 7.013 2.218 -1.073 1.00 0.00 C ATOM 1786 O LEU A 117 7.864 2.975 -1.531 1.00 0.00 O ATOM 1787 CB LEU A 117 4.739 3.183 -1.389 1.00 0.00 C ATOM 1788 CG LEU A 117 3.983 3.757 -2.577 1.00 0.00 C ATOM 1789 CD1 LEU A 117 2.498 3.459 -2.468 1.00 0.00 C ATOM 1790 CD2 LEU A 117 4.222 5.248 -2.698 1.00 0.00 C ATOM 0 H LEU A 117 4.267 0.776 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 117 5.843 2.098 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.022 2.819 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.310 3.980 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 117 4.360 3.277 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.978 3.879 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.344 2.380 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.104 3.903 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 117 3.671 5.636 -3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.880 5.746 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.287 5.436 -2.836 1.00 0.00 H new ATOM 1802 N GLU A 118 7.218 1.470 -0.004 1.00 0.00 N ATOM 1803 CA GLU A 118 8.484 1.517 0.685 1.00 0.00 C ATOM 1804 C GLU A 118 9.502 0.940 -0.263 1.00 0.00 C ATOM 1805 O GLU A 118 10.482 1.594 -0.627 1.00 0.00 O ATOM 1806 CB GLU A 118 8.446 0.719 1.992 1.00 0.00 C ATOM 1807 CG GLU A 118 9.626 0.998 2.909 1.00 0.00 C ATOM 1808 CD GLU A 118 9.502 2.326 3.630 1.00 0.00 C ATOM 1809 OE1 GLU A 118 8.534 2.496 4.401 1.00 0.00 O ATOM 1810 OE2 GLU A 118 10.374 3.197 3.424 1.00 0.00 O ATOM 0 H GLU A 118 6.531 0.832 0.398 1.00 0.00 H new ATOM 0 HA GLU A 118 8.732 2.541 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.522 0.950 2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.422 -0.345 1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.709 0.196 3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.546 0.991 2.324 1.00 0.00 H new ATOM 1817 N ALA A 119 9.217 -0.276 -0.719 1.00 0.00 N ATOM 1818 CA ALA A 119 10.083 -0.924 -1.686 1.00 0.00 C ATOM 1819 C ALA A 119 10.022 -0.203 -3.022 1.00 0.00 C ATOM 1820 O ALA A 119 10.922 -0.332 -3.854 1.00 0.00 O ATOM 1821 CB ALA A 119 9.722 -2.389 -1.854 1.00 0.00 C ATOM 0 H ALA A 119 8.404 -0.823 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 119 11.104 -0.873 -1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.389 -2.847 -2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.826 -2.901 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.692 -2.472 -2.200 1.00 0.00 H new ATOM 1827 N ALA A 120 8.958 0.563 -3.220 1.00 0.00 N ATOM 1828 CA ALA A 120 8.779 1.308 -4.448 1.00 0.00 C ATOM 1829 C ALA A 120 9.654 2.537 -4.459 1.00 0.00 C ATOM 1830 O ALA A 120 10.563 2.653 -5.273 1.00 0.00 O ATOM 1831 CB ALA A 120 7.332 1.699 -4.633 1.00 0.00 C ATOM 0 H ALA A 120 8.206 0.682 -2.541 1.00 0.00 H new ATOM 0 HA ALA A 120 9.072 0.664 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 120 7.222 2.258 -5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.715 0.801 -4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.013 2.320 -3.796 1.00 0.00 H new ATOM 1837 N LEU A 121 9.390 3.457 -3.546 1.00 0.00 N ATOM 1838 CA LEU A 121 10.186 4.660 -3.476 1.00 0.00 C ATOM 1839 C LEU A 121 11.646 4.295 -3.197 1.00 0.00 C ATOM 1840 O LEU A 121 12.558 5.070 -3.476 1.00 0.00 O ATOM 1841 CB LEU A 121 9.636 5.627 -2.425 1.00 0.00 C ATOM 1842 CG LEU A 121 10.169 5.447 -1.009 1.00 0.00 C ATOM 1843 CD1 LEU A 121 10.706 6.761 -0.460 1.00 0.00 C ATOM 1844 CD2 LEU A 121 9.073 4.905 -0.127 1.00 0.00 C ATOM 0 H LEU A 121 8.642 3.392 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 121 10.135 5.174 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 121 9.854 6.645 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 121 8.551 5.526 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 121 10.996 4.737 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.081 6.607 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 121 11.516 7.117 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 121 9.906 7.502 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.452 4.775 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.237 5.604 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.737 3.943 -0.514 1.00 0.00 H new ATOM 1856 N ARG A 122 11.851 3.098 -2.637 1.00 0.00 N ATOM 1857 CA ARG A 122 13.186 2.607 -2.313 1.00 0.00 C ATOM 1858 C ARG A 122 13.959 2.184 -3.566 1.00 0.00 C ATOM 1859 O ARG A 122 15.067 2.660 -3.811 1.00 0.00 O ATOM 1860 CB ARG A 122 13.068 1.418 -1.343 1.00 0.00 C ATOM 1861 CG ARG A 122 14.209 0.409 -1.413 1.00 0.00 C ATOM 1862 CD ARG A 122 13.872 -0.856 -0.642 1.00 0.00 C ATOM 1863 NE ARG A 122 13.518 -0.573 0.747 1.00 0.00 N ATOM 1864 CZ ARG A 122 14.410 -0.333 1.705 1.00 0.00 C ATOM 1865 NH1 ARG A 122 15.709 -0.341 1.430 1.00 0.00 N ATOM 1866 NH2 ARG A 122 14.003 -0.084 2.943 1.00 0.00 N ATOM 0 H ARG A 122 11.100 2.450 -2.399 1.00 0.00 H new ATOM 0 HA ARG A 122 13.742 3.420 -1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 122 13.007 1.804 -0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 122 12.131 0.898 -1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 122 14.414 0.160 -2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 122 15.117 0.854 -1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 122 13.043 -1.368 -1.130 1.00 0.00 H new ATOM 0 HD3 ARG A 122 14.725 -1.534 -0.668 1.00 0.00 H new ATOM 0 HE ARG A 122 12.529 -0.559 0.997 1.00 0.00 H new ATOM 0 HH11 ARG A 122 16.028 -0.532 0.480 1.00 0.00 H new ATOM 0 HH12 ARG A 122 16.388 -0.156 2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 122 13.006 -0.077 3.160 1.00 0.00 H new ATOM 0 HH22 ARG A 122 14.687 0.100 3.677 1.00 0.00 H new ATOM 1880 N GLN A 123 13.390 1.251 -4.327 1.00 0.00 N ATOM 1881 CA GLN A 123 14.057 0.726 -5.517 1.00 0.00 C ATOM 1882 C GLN A 123 13.657 1.437 -6.812 1.00 0.00 C ATOM 1883 O GLN A 123 14.376 1.356 -7.807 1.00 0.00 O ATOM 1884 CB GLN A 123 13.764 -0.769 -5.653 1.00 0.00 C ATOM 1885 CG GLN A 123 14.751 -1.508 -6.545 1.00 0.00 C ATOM 1886 CD GLN A 123 14.457 -1.327 -8.021 1.00 0.00 C ATOM 1887 OE1 GLN A 123 15.254 -0.746 -8.758 1.00 0.00 O ATOM 1888 NE2 GLN A 123 13.309 -1.828 -8.461 1.00 0.00 N ATOM 0 H GLN A 123 12.473 0.845 -4.142 1.00 0.00 H new ATOM 0 HA GLN A 123 15.123 0.906 -5.375 1.00 0.00 H new ATOM 0 HB2 GLN A 123 13.773 -1.223 -4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 123 12.759 -0.898 -6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 123 15.760 -1.154 -6.334 1.00 0.00 H new ATOM 0 HG3 GLN A 123 14.729 -2.570 -6.302 1.00 0.00 H new ATOM 0 HE21 GLN A 123 12.678 -2.302 -7.815 1.00 0.00 H new ATOM 0 HE22 GLN A 123 13.058 -1.739 -9.446 1.00 0.00 H new ATOM 1897 N GLU A 124 12.508 2.100 -6.824 1.00 0.00 N ATOM 1898 CA GLU A 124 12.049 2.766 -8.044 1.00 0.00 C ATOM 1899 C GLU A 124 12.605 4.177 -8.195 1.00 0.00 C ATOM 1900 O GLU A 124 13.371 4.454 -9.118 1.00 0.00 O ATOM 1901 CB GLU A 124 10.521 2.825 -8.068 1.00 0.00 C ATOM 1902 CG GLU A 124 9.854 1.524 -7.648 1.00 0.00 C ATOM 1903 CD GLU A 124 9.780 0.516 -8.778 1.00 0.00 C ATOM 1904 OE1 GLU A 124 10.792 0.346 -9.490 1.00 0.00 O ATOM 1905 OE2 GLU A 124 8.711 -0.106 -8.949 1.00 0.00 O ATOM 0 H GLU A 124 11.885 2.193 -6.022 1.00 0.00 H new ATOM 0 HA GLU A 124 12.422 2.174 -8.880 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.186 3.625 -7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.192 3.084 -9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.406 1.090 -6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.847 1.736 -7.288 1.00 0.00 H new ATOM 1912 N SER A 125 12.196 5.073 -7.308 1.00 0.00 N ATOM 1913 CA SER A 125 12.639 6.459 -7.372 1.00 0.00 C ATOM 1914 C SER A 125 13.826 6.728 -6.453 1.00 0.00 C ATOM 1915 O SER A 125 14.891 7.155 -6.900 1.00 0.00 O ATOM 1916 CB SER A 125 11.474 7.394 -7.029 1.00 0.00 C ATOM 1917 OG SER A 125 11.717 8.116 -5.832 1.00 0.00 O ATOM 0 H SER A 125 11.560 4.866 -6.538 1.00 0.00 H new ATOM 0 HA SER A 125 12.974 6.652 -8.391 1.00 0.00 H new ATOM 0 HB2 SER A 125 11.314 8.093 -7.850 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.559 6.812 -6.924 1.00 0.00 H new ATOM 0 HG SER A 125 10.955 8.703 -5.644 1.00 0.00 H new