USER MOD reduce.3.24.130724 H: found=0, std=0, add=1052, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1053 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 115 GLN :FLIP amide:sc= -0.884 F(o=-6.3!,f=-0.74) USER MOD Set 1.2: A 117 TYR OH : rot -173:sc= 0.143 USER MOD Set 2.1: A 100 ASN : amide:sc= -3.13! C(o=-6.9!,f=-14!) USER MOD Set 2.2: A 119 TYR OH : rot -5:sc= -3.76! USER MOD Set 3.1: A 18 MET CE :methyl -165:sc= -2.09 (180deg=-2.38) USER MOD Set 3.2: A 21 MET CE :methyl -175:sc= -2.08 (180deg=-2.2) USER MOD Single : A 1 ALA N :NH3+ -136:sc= 0.0771 (180deg=0) USER MOD Single : A 4 SER OG : rot 46:sc= 0.666 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0215 USER MOD Single : A 7 LYS NZ :NH3+ -162:sc= -0.25 (180deg=-0.912) USER MOD Single : A 11 SER OG : rot 74:sc= 0.946 USER MOD Single : A 13 ASN : amide:sc= 0.138 X(o=0.14,f=-0.078) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.761 USER MOD Single : A 16 LYS NZ :NH3+ -123:sc= -1.2 (180deg=-2.85!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -2.01 K(o=-2,f=-6.2!) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000994) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS :FLIP no HD1:sc= -1.6 F(o=-2.1,f=-1.6) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.041 F(o=-1.9!,f=-0.041) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.0232 X(o=0.023,f=-0.021) USER MOD Single : A 45 ASN : amide:sc= -0.75 K(o=-0.75,f=-2.3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00698 USER MOD Single : A 50 LYS NZ :NH3+ 163:sc= -0.403 (180deg=-1.07) USER MOD Single : A 52 SER OG : rot -33:sc= 0.0512! USER MOD Single : A 53 SER OG : rot -140:sc= 0.166 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.031 F(o=-3.7!,f=-0.031) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0752 USER MOD Single : A 69 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.014) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.345 F(o=-5.9!,f=-0.35) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.694 USER MOD Single : A 81 THR OG1 : rot -87:sc= -0.826! USER MOD Single : A 83 SER OG : rot 180:sc= -0.05 USER MOD Single : A 87 ASN : amide:sc= -0.0571 X(o=-0.057,f=-0.29) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0192) USER MOD Single : A 96 THR OG1 : rot -145:sc= -1.75 USER MOD Single : A 98 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.6!) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.0145 F(o=-1.4!,f=-0.015) USER MOD Single : A 104 THR OG1 : rot 62:sc= -0.248! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -161:sc= 0.981 (180deg=0.716) USER MOD Single : A 129 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.116) USER MOD Single : A 130 LYS NZ :NH3+ 172:sc= 0.12 (180deg=0.101) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 116.906 8.592 -4.998 1.00 0.00 N ATOM 2 CA ALA A 1 117.101 7.810 -6.252 1.00 0.00 C ATOM 3 C ALA A 1 115.743 7.344 -6.778 1.00 0.00 C ATOM 4 O ALA A 1 114.719 7.924 -6.482 1.00 0.00 O ATOM 5 CB ALA A 1 117.981 6.592 -5.962 1.00 0.00 C ATOM 0 H1 ALA A 1 117.503 9.444 -5.024 1.00 0.00 H new ATOM 0 H2 ALA A 1 115.908 8.871 -4.915 1.00 0.00 H new ATOM 0 H3 ALA A 1 117.172 8.008 -4.180 1.00 0.00 H new ATOM 0 HA ALA A 1 117.585 8.438 -7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 1 118.124 6.020 -6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 1 118.949 6.924 -5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 1 117.498 5.964 -5.214 1.00 0.00 H new ATOM 13 N PHE A 2 115.729 6.299 -7.561 1.00 0.00 N ATOM 14 CA PHE A 2 114.437 5.796 -8.108 1.00 0.00 C ATOM 15 C PHE A 2 113.671 6.958 -8.739 1.00 0.00 C ATOM 16 O PHE A 2 112.502 7.162 -8.479 1.00 0.00 O ATOM 17 CB PHE A 2 113.607 5.181 -6.972 1.00 0.00 C ATOM 18 CG PHE A 2 112.844 3.974 -7.470 1.00 0.00 C ATOM 19 CD1 PHE A 2 113.488 2.977 -8.221 1.00 0.00 C ATOM 20 CD2 PHE A 2 111.483 3.852 -7.172 1.00 0.00 C ATOM 21 CE1 PHE A 2 112.766 1.867 -8.671 1.00 0.00 C ATOM 22 CE2 PHE A 2 110.764 2.740 -7.622 1.00 0.00 C ATOM 23 CZ PHE A 2 111.405 1.750 -8.371 1.00 0.00 C ATOM 0 H PHE A 2 116.555 5.773 -7.845 1.00 0.00 H new ATOM 0 HA PHE A 2 114.628 5.035 -8.865 1.00 0.00 H new ATOM 0 HB2 PHE A 2 114.262 4.891 -6.150 1.00 0.00 H new ATOM 0 HB3 PHE A 2 112.911 5.922 -6.579 1.00 0.00 H new ATOM 0 HD1 PHE A 2 114.539 3.067 -8.451 1.00 0.00 H new ATOM 0 HD2 PHE A 2 110.987 4.617 -6.594 1.00 0.00 H new ATOM 0 HE1 PHE A 2 113.259 1.100 -9.250 1.00 0.00 H new ATOM 0 HE2 PHE A 2 109.713 2.647 -7.391 1.00 0.00 H new ATOM 0 HZ PHE A 2 110.848 0.892 -8.719 1.00 0.00 H new ATOM 33 N ASP A 3 114.323 7.718 -9.572 1.00 0.00 N ATOM 34 CA ASP A 3 113.636 8.866 -10.226 1.00 0.00 C ATOM 35 C ASP A 3 113.052 8.407 -11.564 1.00 0.00 C ATOM 36 O ASP A 3 113.702 8.465 -12.588 1.00 0.00 O ATOM 37 CB ASP A 3 114.641 9.993 -10.469 1.00 0.00 C ATOM 38 CG ASP A 3 113.898 11.325 -10.587 1.00 0.00 C ATOM 39 OD1 ASP A 3 113.714 11.781 -11.704 1.00 0.00 O ATOM 40 OD2 ASP A 3 113.525 11.866 -9.560 1.00 0.00 O ATOM 0 H ASP A 3 115.302 7.594 -9.829 1.00 0.00 H new ATOM 0 HA ASP A 3 112.836 9.229 -9.581 1.00 0.00 H new ATOM 0 HB2 ASP A 3 115.359 10.037 -9.650 1.00 0.00 H new ATOM 0 HB3 ASP A 3 115.208 9.799 -11.380 1.00 0.00 H new ATOM 45 N SER A 4 111.829 7.949 -11.563 1.00 0.00 N ATOM 46 CA SER A 4 111.209 7.484 -12.838 1.00 0.00 C ATOM 47 C SER A 4 109.984 6.617 -12.528 1.00 0.00 C ATOM 48 O SER A 4 109.454 6.641 -11.433 1.00 0.00 O ATOM 49 CB SER A 4 112.232 6.666 -13.631 1.00 0.00 C ATOM 50 OG SER A 4 112.922 7.522 -14.530 1.00 0.00 O ATOM 0 H SER A 4 111.234 7.877 -10.738 1.00 0.00 H new ATOM 0 HA SER A 4 110.898 8.346 -13.428 1.00 0.00 H new ATOM 0 HB2 SER A 4 112.938 6.188 -12.952 1.00 0.00 H new ATOM 0 HB3 SER A 4 111.730 5.870 -14.181 1.00 0.00 H new ATOM 0 HG SER A 4 113.198 8.336 -14.060 1.00 0.00 H new ATOM 56 N THR A 5 109.530 5.854 -13.486 1.00 0.00 N ATOM 57 CA THR A 5 108.339 4.988 -13.254 1.00 0.00 C ATOM 58 C THR A 5 108.788 3.542 -13.027 1.00 0.00 C ATOM 59 O THR A 5 109.726 3.068 -13.636 1.00 0.00 O ATOM 60 CB THR A 5 107.418 5.050 -14.475 1.00 0.00 C ATOM 61 OG1 THR A 5 106.951 6.380 -14.646 1.00 0.00 O ATOM 62 CG2 THR A 5 106.229 4.112 -14.268 1.00 0.00 C ATOM 0 H THR A 5 109.934 5.793 -14.421 1.00 0.00 H new ATOM 0 HA THR A 5 107.802 5.341 -12.373 1.00 0.00 H new ATOM 0 HB THR A 5 107.970 4.741 -15.363 1.00 0.00 H new ATOM 0 HG1 THR A 5 106.362 6.422 -15.428 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.574 4.157 -15.138 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.589 3.092 -14.137 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.675 4.417 -13.381 1.00 0.00 H new ATOM 70 N TRP A 6 108.121 2.840 -12.152 1.00 0.00 N ATOM 71 CA TRP A 6 108.500 1.424 -11.877 1.00 0.00 C ATOM 72 C TRP A 6 107.247 0.634 -11.500 1.00 0.00 C ATOM 73 O TRP A 6 106.198 1.198 -11.266 1.00 0.00 O ATOM 74 CB TRP A 6 109.498 1.377 -10.723 1.00 0.00 C ATOM 75 CG TRP A 6 110.561 2.406 -10.937 1.00 0.00 C ATOM 76 CD1 TRP A 6 110.397 3.740 -10.775 1.00 0.00 C ATOM 77 CD2 TRP A 6 111.947 2.210 -11.341 1.00 0.00 C ATOM 78 NE1 TRP A 6 111.593 4.375 -11.059 1.00 0.00 N ATOM 79 CE2 TRP A 6 112.580 3.474 -11.411 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.708 1.070 -11.651 1.00 0.00 C ATOM 81 CZ2 TRP A 6 113.920 3.602 -11.777 1.00 0.00 C ATOM 82 CZ3 TRP A 6 114.058 1.194 -12.019 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.663 2.457 -12.081 1.00 0.00 C ATOM 0 H TRP A 6 107.327 3.187 -11.614 1.00 0.00 H new ATOM 0 HA TRP A 6 108.956 0.988 -12.766 1.00 0.00 H new ATOM 0 HB2 TRP A 6 108.986 1.560 -9.778 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.946 0.385 -10.656 1.00 0.00 H new ATOM 0 HD1 TRP A 6 109.482 4.229 -10.473 1.00 0.00 H new ATOM 0 HE1 TRP A 6 111.730 5.385 -11.014 1.00 0.00 H new ATOM 0 HE3 TRP A 6 112.252 0.092 -11.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 114.380 4.578 -11.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 114.633 0.311 -12.256 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.702 2.546 -12.363 1.00 0.00 H new ATOM 94 N LYS A 7 107.337 -0.668 -11.442 1.00 0.00 N ATOM 95 CA LYS A 7 106.140 -1.473 -11.082 1.00 0.00 C ATOM 96 C LYS A 7 106.580 -2.786 -10.444 1.00 0.00 C ATOM 97 O LYS A 7 107.429 -3.483 -10.964 1.00 0.00 O ATOM 98 CB LYS A 7 105.324 -1.762 -12.343 1.00 0.00 C ATOM 99 CG LYS A 7 106.007 -2.863 -13.156 1.00 0.00 C ATOM 100 CD LYS A 7 105.532 -2.796 -14.608 1.00 0.00 C ATOM 101 CE LYS A 7 106.189 -3.919 -15.412 1.00 0.00 C ATOM 102 NZ LYS A 7 107.608 -4.075 -14.982 1.00 0.00 N ATOM 0 H LYS A 7 108.184 -1.204 -11.628 1.00 0.00 H new ATOM 0 HA LYS A 7 105.527 -0.916 -10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 7 104.314 -2.070 -12.072 1.00 0.00 H new ATOM 0 HB3 LYS A 7 105.231 -0.857 -12.944 1.00 0.00 H new ATOM 0 HG2 LYS A 7 107.090 -2.744 -13.111 1.00 0.00 H new ATOM 0 HG3 LYS A 7 105.775 -3.840 -12.731 1.00 0.00 H new ATOM 0 HD2 LYS A 7 104.447 -2.890 -14.652 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.786 -1.828 -15.041 1.00 0.00 H new ATOM 0 HE2 LYS A 7 105.648 -4.853 -15.261 1.00 0.00 H new ATOM 0 HE3 LYS A 7 106.144 -3.692 -16.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 108.135 -4.602 -15.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 108.038 -3.136 -14.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 107.643 -4.595 -14.082 1.00 0.00 H new ATOM 116 N VAL A 8 106.013 -3.133 -9.321 1.00 0.00 N ATOM 117 CA VAL A 8 106.402 -4.401 -8.658 1.00 0.00 C ATOM 118 C VAL A 8 106.636 -5.481 -9.712 1.00 0.00 C ATOM 119 O VAL A 8 105.713 -6.011 -10.298 1.00 0.00 O ATOM 120 CB VAL A 8 105.299 -4.825 -7.683 1.00 0.00 C ATOM 121 CG1 VAL A 8 103.963 -4.234 -8.137 1.00 0.00 C ATOM 122 CG2 VAL A 8 105.193 -6.354 -7.634 1.00 0.00 C ATOM 0 H VAL A 8 105.298 -2.591 -8.837 1.00 0.00 H new ATOM 0 HA VAL A 8 107.327 -4.257 -8.099 1.00 0.00 H new ATOM 0 HB VAL A 8 105.545 -4.456 -6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 8 103.178 -4.535 -7.444 1.00 0.00 H new ATOM 0 HG12 VAL A 8 104.034 -3.146 -8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 8 103.725 -4.599 -9.136 1.00 0.00 H new ATOM 0 HG21 VAL A 8 104.406 -6.642 -6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 8 104.956 -6.734 -8.628 1.00 0.00 H new ATOM 0 HG23 VAL A 8 106.142 -6.774 -7.302 1.00 0.00 H new ATOM 132 N ASP A 9 107.873 -5.817 -9.940 1.00 0.00 N ATOM 133 CA ASP A 9 108.187 -6.873 -10.932 1.00 0.00 C ATOM 134 C ASP A 9 108.176 -8.213 -10.207 1.00 0.00 C ATOM 135 O ASP A 9 107.908 -9.247 -10.786 1.00 0.00 O ATOM 136 CB ASP A 9 109.573 -6.622 -11.533 1.00 0.00 C ATOM 137 CG ASP A 9 109.702 -7.378 -12.857 1.00 0.00 C ATOM 138 OD1 ASP A 9 110.673 -8.099 -13.013 1.00 0.00 O ATOM 139 OD2 ASP A 9 108.826 -7.223 -13.693 1.00 0.00 O ATOM 0 H ASP A 9 108.682 -5.402 -9.478 1.00 0.00 H new ATOM 0 HA ASP A 9 107.453 -6.869 -11.738 1.00 0.00 H new ATOM 0 HB2 ASP A 9 109.722 -5.555 -11.696 1.00 0.00 H new ATOM 0 HB3 ASP A 9 110.347 -6.950 -10.838 1.00 0.00 H new ATOM 144 N ARG A 10 108.455 -8.196 -8.930 1.00 0.00 N ATOM 145 CA ARG A 10 108.449 -9.470 -8.155 1.00 0.00 C ATOM 146 C ARG A 10 108.172 -9.186 -6.675 1.00 0.00 C ATOM 147 O ARG A 10 108.209 -8.057 -6.230 1.00 0.00 O ATOM 148 CB ARG A 10 109.802 -10.172 -8.299 1.00 0.00 C ATOM 149 CG ARG A 10 110.010 -10.589 -9.754 1.00 0.00 C ATOM 150 CD ARG A 10 111.177 -11.573 -9.842 1.00 0.00 C ATOM 151 NE ARG A 10 112.281 -11.117 -8.952 1.00 0.00 N ATOM 152 CZ ARG A 10 113.255 -11.932 -8.651 1.00 0.00 C ATOM 153 NH1 ARG A 10 114.222 -11.534 -7.869 1.00 0.00 N ATOM 154 NH2 ARG A 10 113.260 -13.146 -9.130 1.00 0.00 N ATOM 0 H ARG A 10 108.685 -7.360 -8.393 1.00 0.00 H new ATOM 0 HA ARG A 10 107.663 -10.116 -8.546 1.00 0.00 H new ATOM 0 HB2 ARG A 10 110.604 -9.506 -7.983 1.00 0.00 H new ATOM 0 HB3 ARG A 10 109.840 -11.047 -7.650 1.00 0.00 H new ATOM 0 HG2 ARG A 10 109.102 -11.049 -10.145 1.00 0.00 H new ATOM 0 HG3 ARG A 10 110.213 -9.712 -10.369 1.00 0.00 H new ATOM 0 HD2 ARG A 10 110.848 -12.570 -9.549 1.00 0.00 H new ATOM 0 HD3 ARG A 10 111.531 -11.643 -10.871 1.00 0.00 H new ATOM 0 HE ARG A 10 112.276 -10.168 -8.578 1.00 0.00 H new ATOM 0 HH11 ARG A 10 114.216 -10.586 -7.493 1.00 0.00 H new ATOM 0 HH12 ARG A 10 114.983 -12.171 -7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 10 112.503 -13.457 -9.739 1.00 0.00 H new ATOM 0 HH22 ARG A 10 114.021 -13.784 -8.895 1.00 0.00 H new ATOM 168 N SER A 11 107.894 -10.212 -5.912 1.00 0.00 N ATOM 169 CA SER A 11 107.610 -10.023 -4.458 1.00 0.00 C ATOM 170 C SER A 11 107.372 -11.394 -3.818 1.00 0.00 C ATOM 171 O SER A 11 107.154 -12.374 -4.504 1.00 0.00 O ATOM 172 CB SER A 11 106.361 -9.157 -4.288 1.00 0.00 C ATOM 173 OG SER A 11 106.024 -9.086 -2.909 1.00 0.00 O ATOM 0 H SER A 11 107.851 -11.178 -6.236 1.00 0.00 H new ATOM 0 HA SER A 11 108.455 -9.531 -3.977 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.541 -8.157 -4.682 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.532 -9.579 -4.856 1.00 0.00 H new ATOM 0 HG SER A 11 106.654 -8.493 -2.449 1.00 0.00 H new ATOM 179 N GLU A 12 107.414 -11.485 -2.514 1.00 0.00 N ATOM 180 CA GLU A 12 107.192 -12.813 -1.867 1.00 0.00 C ATOM 181 C GLU A 12 106.957 -12.648 -0.362 1.00 0.00 C ATOM 182 O GLU A 12 107.208 -11.606 0.213 1.00 0.00 O ATOM 183 CB GLU A 12 108.420 -13.697 -2.094 1.00 0.00 C ATOM 184 CG GLU A 12 109.678 -12.954 -1.642 1.00 0.00 C ATOM 185 CD GLU A 12 110.778 -13.964 -1.311 1.00 0.00 C ATOM 186 OE1 GLU A 12 110.669 -15.095 -1.756 1.00 0.00 O ATOM 187 OE2 GLU A 12 111.710 -13.590 -0.619 1.00 0.00 O ATOM 0 H GLU A 12 107.590 -10.709 -1.876 1.00 0.00 H new ATOM 0 HA GLU A 12 106.310 -13.276 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 12 108.317 -14.629 -1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.501 -13.961 -3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 12 110.015 -12.278 -2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.457 -12.342 -0.768 1.00 0.00 H new ATOM 194 N ASN A 13 106.482 -13.689 0.277 1.00 0.00 N ATOM 195 CA ASN A 13 106.226 -13.638 1.748 1.00 0.00 C ATOM 196 C ASN A 13 105.097 -12.650 2.054 1.00 0.00 C ATOM 197 O ASN A 13 104.662 -12.525 3.182 1.00 0.00 O ATOM 198 CB ASN A 13 107.504 -13.207 2.482 1.00 0.00 C ATOM 199 CG ASN A 13 108.063 -14.384 3.284 1.00 0.00 C ATOM 200 OD1 ASN A 13 108.234 -15.466 2.758 1.00 0.00 O ATOM 201 ND2 ASN A 13 108.356 -14.217 4.544 1.00 0.00 N ATOM 0 H ASN A 13 106.259 -14.581 -0.164 1.00 0.00 H new ATOM 0 HA ASN A 13 105.930 -14.630 2.089 1.00 0.00 H new ATOM 0 HB2 ASN A 13 108.247 -12.859 1.764 1.00 0.00 H new ATOM 0 HB3 ASN A 13 107.288 -12.371 3.148 1.00 0.00 H new ATOM 0 HD21 ASN A 13 108.729 -14.995 5.088 1.00 0.00 H new ATOM 0 HD22 ASN A 13 108.212 -13.309 4.985 1.00 0.00 H new ATOM 208 N TYR A 14 104.618 -11.945 1.069 1.00 0.00 N ATOM 209 CA TYR A 14 103.522 -10.969 1.320 1.00 0.00 C ATOM 210 C TYR A 14 102.430 -11.616 2.171 1.00 0.00 C ATOM 211 O TYR A 14 102.141 -11.173 3.264 1.00 0.00 O ATOM 212 CB TYR A 14 102.931 -10.513 -0.021 1.00 0.00 C ATOM 213 CG TYR A 14 102.692 -9.021 0.004 1.00 0.00 C ATOM 214 CD1 TYR A 14 103.702 -8.158 0.442 1.00 0.00 C ATOM 215 CD2 TYR A 14 101.460 -8.502 -0.416 1.00 0.00 C ATOM 216 CE1 TYR A 14 103.482 -6.775 0.462 1.00 0.00 C ATOM 217 CE2 TYR A 14 101.240 -7.121 -0.396 1.00 0.00 C ATOM 218 CZ TYR A 14 102.251 -6.256 0.042 1.00 0.00 C ATOM 219 OH TYR A 14 102.034 -4.894 0.062 1.00 0.00 O ATOM 0 H TYR A 14 104.937 -12.002 0.102 1.00 0.00 H new ATOM 0 HA TYR A 14 103.922 -10.108 1.855 1.00 0.00 H new ATOM 0 HB2 TYR A 14 103.611 -10.768 -0.834 1.00 0.00 H new ATOM 0 HB3 TYR A 14 101.995 -11.037 -0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 14 104.652 -8.558 0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 14 100.681 -9.168 -0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 14 104.262 -6.109 0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 14 100.290 -6.721 -0.718 1.00 0.00 H new ATOM 0 HH TYR A 14 101.129 -4.702 -0.262 1.00 0.00 H new ATOM 229 N ASP A 15 101.815 -12.658 1.685 1.00 0.00 N ATOM 230 CA ASP A 15 100.741 -13.313 2.480 1.00 0.00 C ATOM 231 C ASP A 15 101.205 -13.461 3.927 1.00 0.00 C ATOM 232 O ASP A 15 100.476 -13.177 4.855 1.00 0.00 O ATOM 233 CB ASP A 15 100.431 -14.692 1.894 1.00 0.00 C ATOM 234 CG ASP A 15 101.588 -15.647 2.194 1.00 0.00 C ATOM 235 OD1 ASP A 15 101.404 -16.531 3.014 1.00 0.00 O ATOM 236 OD2 ASP A 15 102.638 -15.477 1.597 1.00 0.00 O ATOM 0 H ASP A 15 102.008 -13.082 0.778 1.00 0.00 H new ATOM 0 HA ASP A 15 99.839 -12.702 2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 15 99.506 -15.080 2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 15 100.279 -14.615 0.817 1.00 0.00 H new ATOM 241 N LYS A 16 102.416 -13.894 4.127 1.00 0.00 N ATOM 242 CA LYS A 16 102.924 -14.047 5.516 1.00 0.00 C ATOM 243 C LYS A 16 102.946 -12.674 6.182 1.00 0.00 C ATOM 244 O LYS A 16 102.578 -12.519 7.330 1.00 0.00 O ATOM 245 CB LYS A 16 104.340 -14.629 5.487 1.00 0.00 C ATOM 246 CG LYS A 16 104.323 -15.986 4.779 1.00 0.00 C ATOM 247 CD LYS A 16 104.004 -17.090 5.792 1.00 0.00 C ATOM 248 CE LYS A 16 105.162 -17.234 6.786 1.00 0.00 C ATOM 249 NZ LYS A 16 104.831 -16.503 8.042 1.00 0.00 N ATOM 0 H LYS A 16 103.075 -14.148 3.391 1.00 0.00 H new ATOM 0 HA LYS A 16 102.276 -14.722 6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 16 105.014 -13.946 4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 16 104.718 -14.742 6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 16 103.579 -15.983 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 16 105.289 -16.176 4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 16 103.083 -16.852 6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 16 103.838 -18.035 5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 16 105.341 -18.287 7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 16 106.080 -16.837 6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 105.570 -15.798 8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 103.915 -16.024 7.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 104.778 -17.177 8.832 1.00 0.00 H new ATOM 263 N PHE A 17 103.366 -11.672 5.463 1.00 0.00 N ATOM 264 CA PHE A 17 103.401 -10.305 6.042 1.00 0.00 C ATOM 265 C PHE A 17 101.972 -9.822 6.257 1.00 0.00 C ATOM 266 O PHE A 17 101.586 -9.443 7.347 1.00 0.00 O ATOM 267 CB PHE A 17 104.126 -9.384 5.066 1.00 0.00 C ATOM 268 CG PHE A 17 103.791 -7.943 5.357 1.00 0.00 C ATOM 269 CD1 PHE A 17 104.337 -7.312 6.478 1.00 0.00 C ATOM 270 CD2 PHE A 17 102.940 -7.235 4.500 1.00 0.00 C ATOM 271 CE1 PHE A 17 104.033 -5.974 6.744 1.00 0.00 C ATOM 272 CE2 PHE A 17 102.634 -5.897 4.767 1.00 0.00 C ATOM 273 CZ PHE A 17 103.181 -5.264 5.889 1.00 0.00 C ATOM 0 H PHE A 17 103.687 -11.743 4.497 1.00 0.00 H new ATOM 0 HA PHE A 17 103.924 -10.305 6.998 1.00 0.00 H new ATOM 0 HB2 PHE A 17 105.203 -9.537 5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.842 -9.631 4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 17 104.994 -7.858 7.139 1.00 0.00 H new ATOM 0 HD2 PHE A 17 102.520 -7.722 3.633 1.00 0.00 H new ATOM 0 HE1 PHE A 17 104.456 -5.487 7.610 1.00 0.00 H new ATOM 0 HE2 PHE A 17 101.975 -5.352 4.107 1.00 0.00 H new ATOM 0 HZ PHE A 17 102.946 -4.230 6.095 1.00 0.00 H new ATOM 283 N MET A 18 101.179 -9.842 5.226 1.00 0.00 N ATOM 284 CA MET A 18 99.766 -9.394 5.371 1.00 0.00 C ATOM 285 C MET A 18 99.081 -10.244 6.442 1.00 0.00 C ATOM 286 O MET A 18 98.197 -9.787 7.138 1.00 0.00 O ATOM 287 CB MET A 18 99.033 -9.559 4.039 1.00 0.00 C ATOM 288 CG MET A 18 99.295 -8.340 3.153 1.00 0.00 C ATOM 289 SD MET A 18 98.111 -7.033 3.562 1.00 0.00 S ATOM 290 CE MET A 18 99.314 -5.803 4.125 1.00 0.00 C ATOM 0 H MET A 18 101.446 -10.148 4.290 1.00 0.00 H new ATOM 0 HA MET A 18 99.743 -8.344 5.663 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.371 -10.465 3.537 1.00 0.00 H new ATOM 0 HB3 MET A 18 97.963 -9.671 4.213 1.00 0.00 H new ATOM 0 HG2 MET A 18 100.314 -7.982 3.300 1.00 0.00 H new ATOM 0 HG3 MET A 18 99.202 -8.614 2.102 1.00 0.00 H new ATOM 0 HE1 MET A 18 98.799 -5.014 4.673 1.00 0.00 H new ATOM 0 HE2 MET A 18 100.044 -6.281 4.778 1.00 0.00 H new ATOM 0 HE3 MET A 18 99.825 -5.373 3.264 1.00 0.00 H new ATOM 300 N GLU A 19 99.484 -11.478 6.584 1.00 0.00 N ATOM 301 CA GLU A 19 98.854 -12.346 7.616 1.00 0.00 C ATOM 302 C GLU A 19 99.367 -11.933 8.995 1.00 0.00 C ATOM 303 O GLU A 19 98.713 -12.134 9.997 1.00 0.00 O ATOM 304 CB GLU A 19 99.218 -13.809 7.351 1.00 0.00 C ATOM 305 CG GLU A 19 98.838 -14.659 8.565 1.00 0.00 C ATOM 306 CD GLU A 19 98.908 -16.141 8.196 1.00 0.00 C ATOM 307 OE1 GLU A 19 100.009 -16.664 8.130 1.00 0.00 O ATOM 308 OE2 GLU A 19 97.860 -16.730 7.984 1.00 0.00 O ATOM 0 H GLU A 19 100.219 -11.920 6.032 1.00 0.00 H new ATOM 0 HA GLU A 19 97.770 -12.235 7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 19 98.697 -14.169 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 19 100.286 -13.898 7.151 1.00 0.00 H new ATOM 0 HG2 GLU A 19 99.513 -14.448 9.395 1.00 0.00 H new ATOM 0 HG3 GLU A 19 97.832 -14.404 8.899 1.00 0.00 H new ATOM 315 N LYS A 20 100.532 -11.350 9.051 1.00 0.00 N ATOM 316 CA LYS A 20 101.080 -10.918 10.365 1.00 0.00 C ATOM 317 C LYS A 20 100.274 -9.726 10.877 1.00 0.00 C ATOM 318 O LYS A 20 99.842 -9.698 12.012 1.00 0.00 O ATOM 319 CB LYS A 20 102.550 -10.522 10.205 1.00 0.00 C ATOM 320 CG LYS A 20 103.327 -10.922 11.462 1.00 0.00 C ATOM 321 CD LYS A 20 103.744 -12.390 11.360 1.00 0.00 C ATOM 322 CE LYS A 20 104.651 -12.748 12.538 1.00 0.00 C ATOM 323 NZ LYS A 20 103.813 -13.114 13.715 1.00 0.00 N ATOM 0 H LYS A 20 101.126 -11.155 8.245 1.00 0.00 H new ATOM 0 HA LYS A 20 101.010 -11.738 11.080 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.976 -11.012 9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.632 -9.448 10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 20 104.208 -10.290 11.574 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.710 -10.769 12.348 1.00 0.00 H new ATOM 0 HD2 LYS A 20 102.862 -13.030 11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 20 104.266 -12.566 10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 20 105.303 -13.579 12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 20 105.295 -11.904 12.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 104.429 -13.358 14.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 103.209 -12.309 13.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 103.216 -13.931 13.476 1.00 0.00 H new ATOM 337 N MET A 21 100.063 -8.743 10.049 1.00 0.00 N ATOM 338 CA MET A 21 99.276 -7.559 10.492 1.00 0.00 C ATOM 339 C MET A 21 97.879 -8.018 10.917 1.00 0.00 C ATOM 340 O MET A 21 97.114 -7.266 11.488 1.00 0.00 O ATOM 341 CB MET A 21 99.165 -6.556 9.335 1.00 0.00 C ATOM 342 CG MET A 21 99.791 -5.220 9.745 1.00 0.00 C ATOM 343 SD MET A 21 99.351 -3.951 8.531 1.00 0.00 S ATOM 344 CE MET A 21 100.773 -4.182 7.435 1.00 0.00 C ATOM 0 H MET A 21 100.400 -8.707 9.087 1.00 0.00 H new ATOM 0 HA MET A 21 99.773 -7.078 11.334 1.00 0.00 H new ATOM 0 HB2 MET A 21 99.669 -6.948 8.452 1.00 0.00 H new ATOM 0 HB3 MET A 21 98.119 -6.411 9.067 1.00 0.00 H new ATOM 0 HG2 MET A 21 99.439 -4.930 10.735 1.00 0.00 H new ATOM 0 HG3 MET A 21 100.875 -5.318 9.808 1.00 0.00 H new ATOM 0 HE1 MET A 21 100.752 -3.428 6.648 1.00 0.00 H new ATOM 0 HE2 MET A 21 101.694 -4.083 8.009 1.00 0.00 H new ATOM 0 HE3 MET A 21 100.730 -5.175 6.987 1.00 0.00 H new ATOM 354 N GLY A 22 97.539 -9.251 10.642 1.00 0.00 N ATOM 355 CA GLY A 22 96.190 -9.754 11.030 1.00 0.00 C ATOM 356 C GLY A 22 95.169 -9.339 9.971 1.00 0.00 C ATOM 357 O GLY A 22 94.018 -9.089 10.268 1.00 0.00 O ATOM 0 H GLY A 22 98.136 -9.928 10.167 1.00 0.00 H new ATOM 0 HA2 GLY A 22 96.209 -10.840 11.127 1.00 0.00 H new ATOM 0 HA3 GLY A 22 95.906 -9.352 12.002 1.00 0.00 H new ATOM 361 N VAL A 23 95.584 -9.260 8.738 1.00 0.00 N ATOM 362 CA VAL A 23 94.644 -8.858 7.655 1.00 0.00 C ATOM 363 C VAL A 23 93.739 -10.039 7.298 1.00 0.00 C ATOM 364 O VAL A 23 94.196 -11.148 7.106 1.00 0.00 O ATOM 365 CB VAL A 23 95.445 -8.436 6.422 1.00 0.00 C ATOM 366 CG1 VAL A 23 94.512 -7.769 5.411 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.536 -7.445 6.839 1.00 0.00 C ATOM 0 H VAL A 23 96.537 -9.457 8.433 1.00 0.00 H new ATOM 0 HA VAL A 23 94.030 -8.024 7.995 1.00 0.00 H new ATOM 0 HB VAL A 23 95.904 -9.314 5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 23 95.083 -7.468 4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 23 93.734 -8.472 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 23 94.053 -6.890 5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 23 97.108 -7.143 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 23 96.076 -6.567 7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.202 -7.919 7.560 1.00 0.00 H new ATOM 377 N ASN A 24 92.457 -9.811 7.206 1.00 0.00 N ATOM 378 CA ASN A 24 91.525 -10.920 6.859 1.00 0.00 C ATOM 379 C ASN A 24 92.066 -11.674 5.643 1.00 0.00 C ATOM 380 O ASN A 24 93.084 -11.317 5.084 1.00 0.00 O ATOM 381 CB ASN A 24 90.145 -10.345 6.531 1.00 0.00 C ATOM 382 CG ASN A 24 89.072 -11.405 6.795 1.00 0.00 C ATOM 383 OD1 ASN A 24 88.468 -11.916 5.873 1.00 0.00 O ATOM 384 ND2 ASN A 24 88.811 -11.759 8.023 1.00 0.00 N ATOM 0 H ASN A 24 92.015 -8.904 7.356 1.00 0.00 H new ATOM 0 HA ASN A 24 91.440 -11.603 7.704 1.00 0.00 H new ATOM 0 HB2 ASN A 24 89.954 -9.461 7.139 1.00 0.00 H new ATOM 0 HB3 ASN A 24 90.110 -10.029 5.488 1.00 0.00 H new ATOM 0 HD21 ASN A 24 88.099 -12.465 8.210 1.00 0.00 H new ATOM 0 HD22 ASN A 24 89.319 -11.329 8.796 1.00 0.00 H new ATOM 391 N ILE A 25 91.398 -12.717 5.228 1.00 0.00 N ATOM 392 CA ILE A 25 91.884 -13.487 4.051 1.00 0.00 C ATOM 393 C ILE A 25 91.363 -12.841 2.773 1.00 0.00 C ATOM 394 O ILE A 25 91.674 -13.249 1.671 1.00 0.00 O ATOM 395 CB ILE A 25 91.394 -14.935 4.149 1.00 0.00 C ATOM 396 CG1 ILE A 25 92.377 -15.750 4.999 1.00 0.00 C ATOM 397 CG2 ILE A 25 91.292 -15.546 2.749 1.00 0.00 C ATOM 398 CD1 ILE A 25 93.565 -16.196 4.141 1.00 0.00 C ATOM 0 H ILE A 25 90.539 -13.067 5.653 1.00 0.00 H new ATOM 0 HA ILE A 25 92.974 -13.483 4.033 1.00 0.00 H new ATOM 0 HB ILE A 25 90.409 -14.951 4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 25 92.729 -15.150 5.839 1.00 0.00 H new ATOM 0 HG13 ILE A 25 91.873 -16.621 5.418 1.00 0.00 H new ATOM 0 HG21 ILE A 25 90.943 -16.576 2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 25 90.588 -14.968 2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 25 92.272 -15.530 2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 25 94.258 -16.774 4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 25 93.207 -16.812 3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 25 94.076 -15.319 3.743 1.00 0.00 H new ATOM 410 N VAL A 26 90.585 -11.829 2.928 1.00 0.00 N ATOM 411 CA VAL A 26 90.026 -11.118 1.745 1.00 0.00 C ATOM 412 C VAL A 26 91.059 -10.121 1.230 1.00 0.00 C ATOM 413 O VAL A 26 91.509 -10.200 0.105 1.00 0.00 O ATOM 414 CB VAL A 26 88.749 -10.377 2.143 1.00 0.00 C ATOM 415 CG1 VAL A 26 88.078 -9.810 0.891 1.00 0.00 C ATOM 416 CG2 VAL A 26 87.792 -11.347 2.838 1.00 0.00 C ATOM 0 H VAL A 26 90.302 -11.450 3.832 1.00 0.00 H new ATOM 0 HA VAL A 26 89.789 -11.839 0.963 1.00 0.00 H new ATOM 0 HB VAL A 26 88.999 -9.563 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 26 87.168 -9.282 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 26 88.759 -9.119 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 26 87.828 -10.625 0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 26 86.882 -10.819 3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 26 87.542 -12.161 2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.269 -11.753 3.730 1.00 0.00 H new ATOM 426 N LYS A 27 91.446 -9.189 2.051 1.00 0.00 N ATOM 427 CA LYS A 27 92.463 -8.195 1.615 1.00 0.00 C ATOM 428 C LYS A 27 93.783 -8.925 1.376 1.00 0.00 C ATOM 429 O LYS A 27 94.613 -8.498 0.598 1.00 0.00 O ATOM 430 CB LYS A 27 92.645 -7.134 2.706 1.00 0.00 C ATOM 431 CG LYS A 27 91.821 -5.890 2.360 1.00 0.00 C ATOM 432 CD LYS A 27 90.331 -6.237 2.397 1.00 0.00 C ATOM 433 CE LYS A 27 89.525 -5.091 1.784 1.00 0.00 C ATOM 434 NZ LYS A 27 89.488 -3.946 2.738 1.00 0.00 N ATOM 0 H LYS A 27 91.103 -9.072 3.004 1.00 0.00 H new ATOM 0 HA LYS A 27 92.139 -7.704 0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 27 92.331 -7.533 3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 27 93.699 -6.870 2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 27 92.036 -5.090 3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 27 92.095 -5.523 1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 27 90.148 -7.160 1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.013 -6.411 3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 27 89.975 -4.779 0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 27 88.512 -5.424 1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 88.926 -3.172 2.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 89.056 -4.253 3.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 90.457 -3.613 2.918 1.00 0.00 H new ATOM 448 N ARG A 28 93.977 -10.035 2.037 1.00 0.00 N ATOM 449 CA ARG A 28 95.236 -10.806 1.852 1.00 0.00 C ATOM 450 C ARG A 28 95.208 -11.498 0.489 1.00 0.00 C ATOM 451 O ARG A 28 96.183 -11.504 -0.236 1.00 0.00 O ATOM 452 CB ARG A 28 95.358 -11.859 2.956 1.00 0.00 C ATOM 453 CG ARG A 28 96.782 -12.420 2.971 1.00 0.00 C ATOM 454 CD ARG A 28 96.879 -13.552 3.996 1.00 0.00 C ATOM 455 NE ARG A 28 96.622 -14.855 3.321 1.00 0.00 N ATOM 456 CZ ARG A 28 96.838 -15.974 3.958 1.00 0.00 C ATOM 457 NH1 ARG A 28 96.615 -17.115 3.366 1.00 0.00 N ATOM 458 NH2 ARG A 28 97.275 -15.950 5.187 1.00 0.00 N ATOM 0 H ARG A 28 93.315 -10.440 2.698 1.00 0.00 H new ATOM 0 HA ARG A 28 96.089 -10.129 1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 28 95.120 -11.417 3.923 1.00 0.00 H new ATOM 0 HB3 ARG A 28 94.641 -12.662 2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 28 97.048 -12.789 1.981 1.00 0.00 H new ATOM 0 HG3 ARG A 28 97.492 -11.631 3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 28 97.867 -13.557 4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 28 96.156 -13.396 4.796 1.00 0.00 H new ATOM 0 HE ARG A 28 96.277 -14.873 2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 28 96.272 -17.133 2.406 1.00 0.00 H new ATOM 0 HH12 ARG A 28 96.784 -17.989 3.864 1.00 0.00 H new ATOM 0 HH21 ARG A 28 97.448 -15.057 5.650 1.00 0.00 H new ATOM 0 HH22 ARG A 28 97.444 -16.824 5.685 1.00 0.00 H new ATOM 472 N LYS A 29 94.094 -12.081 0.130 1.00 0.00 N ATOM 473 CA LYS A 29 94.011 -12.769 -1.188 1.00 0.00 C ATOM 474 C LYS A 29 94.022 -11.725 -2.308 1.00 0.00 C ATOM 475 O LYS A 29 94.530 -11.962 -3.386 1.00 0.00 O ATOM 476 CB LYS A 29 92.717 -13.584 -1.260 1.00 0.00 C ATOM 477 CG LYS A 29 92.456 -14.008 -2.709 1.00 0.00 C ATOM 478 CD LYS A 29 91.740 -15.362 -2.728 1.00 0.00 C ATOM 479 CE LYS A 29 92.775 -16.489 -2.691 1.00 0.00 C ATOM 480 NZ LYS A 29 92.086 -17.801 -2.844 1.00 0.00 N ATOM 0 H LYS A 29 93.243 -12.109 0.691 1.00 0.00 H new ATOM 0 HA LYS A 29 94.865 -13.436 -1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 29 92.794 -14.464 -0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 29 91.881 -12.992 -0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 29 91.849 -13.257 -3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 29 93.398 -14.076 -3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 29 91.069 -15.442 -1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 29 91.126 -15.448 -3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 29 93.504 -16.354 -3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 29 93.324 -16.462 -1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 92.789 -18.567 -2.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 91.406 -17.929 -2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 91.581 -17.824 -3.753 1.00 0.00 H new ATOM 494 N LEU A 30 93.462 -10.573 -2.062 1.00 0.00 N ATOM 495 CA LEU A 30 93.439 -9.517 -3.113 1.00 0.00 C ATOM 496 C LEU A 30 94.721 -8.705 -3.050 1.00 0.00 C ATOM 497 O LEU A 30 95.050 -7.951 -3.945 1.00 0.00 O ATOM 498 CB LEU A 30 92.229 -8.603 -2.909 1.00 0.00 C ATOM 499 CG LEU A 30 90.949 -9.440 -2.913 1.00 0.00 C ATOM 500 CD1 LEU A 30 89.755 -8.548 -2.571 1.00 0.00 C ATOM 501 CD2 LEU A 30 90.746 -10.053 -4.300 1.00 0.00 C ATOM 0 H LEU A 30 93.020 -10.317 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 30 93.363 -9.988 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 30 92.321 -8.065 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 30 92.189 -7.854 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 30 91.032 -10.235 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 30 88.843 -9.144 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 30 89.899 -8.110 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 30 89.671 -7.753 -3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 30 89.834 -10.650 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 30 90.663 -9.258 -5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 30 91.597 -10.689 -4.545 1.00 0.00 H new ATOM 513 N ALA A 31 95.436 -8.861 -1.993 1.00 0.00 N ATOM 514 CA ALA A 31 96.715 -8.115 -1.825 1.00 0.00 C ATOM 515 C ALA A 31 97.851 -8.889 -2.497 1.00 0.00 C ATOM 516 O ALA A 31 98.645 -8.332 -3.229 1.00 0.00 O ATOM 517 CB ALA A 31 97.022 -7.952 -0.336 1.00 0.00 C ATOM 0 H ALA A 31 95.195 -9.481 -1.219 1.00 0.00 H new ATOM 0 HA ALA A 31 96.622 -7.132 -2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 31 97.958 -7.406 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 31 96.215 -7.399 0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 31 97.113 -8.935 0.126 1.00 0.00 H new ATOM 523 N ALA A 32 97.935 -10.168 -2.252 1.00 0.00 N ATOM 524 CA ALA A 32 99.020 -10.976 -2.874 1.00 0.00 C ATOM 525 C ALA A 32 99.198 -10.554 -4.334 1.00 0.00 C ATOM 526 O ALA A 32 100.243 -10.747 -4.922 1.00 0.00 O ATOM 527 CB ALA A 32 98.652 -12.460 -2.813 1.00 0.00 C ATOM 0 H ALA A 32 97.299 -10.688 -1.648 1.00 0.00 H new ATOM 0 HA ALA A 32 99.951 -10.811 -2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 32 99.447 -13.051 -3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 32 98.526 -12.761 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 32 97.720 -12.626 -3.354 1.00 0.00 H new ATOM 533 N HIS A 33 98.187 -9.976 -4.921 1.00 0.00 N ATOM 534 CA HIS A 33 98.303 -9.538 -6.341 1.00 0.00 C ATOM 535 C HIS A 33 99.274 -8.359 -6.426 1.00 0.00 C ATOM 536 O HIS A 33 99.085 -7.439 -7.195 1.00 0.00 O ATOM 537 CB HIS A 33 96.928 -9.105 -6.856 1.00 0.00 C ATOM 538 CG HIS A 33 97.027 -8.762 -8.317 1.00 0.00 C ATOM 539 ND1 HIS A 33 98.045 -8.909 -9.228 1.00 0.00 N flip ATOM 540 CD2 HIS A 33 95.976 -8.183 -9.014 1.00 0.00 C flip ATOM 541 CE1 HIS A 33 97.632 -8.430 -10.465 1.00 0.00 C flip ATOM 542 NE2 HIS A 33 96.381 -8.004 -10.285 1.00 0.00 N flip ATOM 0 H HIS A 33 97.287 -9.788 -4.480 1.00 0.00 H new ATOM 0 HA HIS A 33 98.674 -10.363 -6.950 1.00 0.00 H new ATOM 0 HB2 HIS A 33 96.203 -9.905 -6.707 1.00 0.00 H new ATOM 0 HB3 HIS A 33 96.571 -8.243 -6.292 1.00 0.00 H new ATOM 0 HD2 HIS A 33 95.009 -7.923 -8.610 1.00 0.00 H new ATOM 0 HE1 HIS A 33 98.204 -8.407 -11.381 1.00 0.00 H new ATOM 0 HE2 HIS A 33 95.803 -7.594 -11.019 1.00 0.00 H new ATOM 550 N ASP A 34 100.313 -8.382 -5.637 1.00 0.00 N ATOM 551 CA ASP A 34 101.298 -7.265 -5.666 1.00 0.00 C ATOM 552 C ASP A 34 101.717 -6.987 -7.113 1.00 0.00 C ATOM 553 O ASP A 34 102.670 -7.548 -7.616 1.00 0.00 O ATOM 554 CB ASP A 34 102.523 -7.651 -4.833 1.00 0.00 C ATOM 555 CG ASP A 34 102.947 -9.081 -5.176 1.00 0.00 C ATOM 556 OD1 ASP A 34 102.877 -9.436 -6.340 1.00 0.00 O ATOM 557 OD2 ASP A 34 103.333 -9.797 -4.266 1.00 0.00 O ATOM 0 H ASP A 34 100.522 -9.127 -4.973 1.00 0.00 H new ATOM 0 HA ASP A 34 100.846 -6.365 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 34 103.343 -6.960 -5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 34 102.292 -7.574 -3.771 1.00 0.00 H new ATOM 562 N ASN A 35 101.008 -6.120 -7.782 1.00 0.00 N ATOM 563 CA ASN A 35 101.348 -5.790 -9.195 1.00 0.00 C ATOM 564 C ASN A 35 100.997 -4.323 -9.459 1.00 0.00 C ATOM 565 O ASN A 35 100.418 -3.986 -10.473 1.00 0.00 O ATOM 566 CB ASN A 35 100.539 -6.685 -10.136 1.00 0.00 C ATOM 567 CG ASN A 35 101.257 -6.793 -11.483 1.00 0.00 C ATOM 568 OD1 ASN A 35 102.293 -6.034 -11.718 1.00 0.00 O flip ATOM 569 ND2 ASN A 35 100.872 -7.573 -12.330 1.00 0.00 N flip ATOM 0 H ASN A 35 100.201 -5.622 -7.407 1.00 0.00 H new ATOM 0 HA ASN A 35 102.412 -5.954 -9.368 1.00 0.00 H new ATOM 0 HB2 ASN A 35 100.417 -7.675 -9.697 1.00 0.00 H new ATOM 0 HB3 ASN A 35 99.540 -6.273 -10.277 1.00 0.00 H new ATOM 0 HD21 ASN A 35 100.063 -8.166 -12.147 1.00 0.00 H new ATOM 0 HD22 ASN A 35 101.358 -7.635 -13.225 1.00 0.00 H new ATOM 576 N LEU A 36 101.319 -3.451 -8.540 1.00 0.00 N ATOM 577 CA LEU A 36 100.977 -2.013 -8.724 1.00 0.00 C ATOM 578 C LEU A 36 102.132 -1.247 -9.377 1.00 0.00 C ATOM 579 O LEU A 36 103.248 -1.731 -9.481 1.00 0.00 O ATOM 580 CB LEU A 36 100.669 -1.387 -7.357 1.00 0.00 C ATOM 581 CG LEU A 36 101.947 -1.318 -6.508 1.00 0.00 C ATOM 582 CD1 LEU A 36 101.940 -0.034 -5.675 1.00 0.00 C ATOM 583 CD2 LEU A 36 102.008 -2.529 -5.571 1.00 0.00 C ATOM 0 H LEU A 36 101.804 -3.674 -7.671 1.00 0.00 H new ATOM 0 HA LEU A 36 100.107 -1.949 -9.378 1.00 0.00 H new ATOM 0 HB2 LEU A 36 100.258 -0.387 -7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 36 99.911 -1.977 -6.841 1.00 0.00 H new ATOM 0 HG LEU A 36 102.816 -1.322 -7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 36 102.847 0.014 -5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.899 0.830 -6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 36 101.069 -0.030 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 36 102.916 -2.478 -4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 36 101.137 -2.526 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 36 102.015 -3.446 -6.161 1.00 0.00 H new ATOM 595 N LYS A 37 101.860 -0.038 -9.796 1.00 0.00 N ATOM 596 CA LYS A 37 102.909 0.809 -10.429 1.00 0.00 C ATOM 597 C LYS A 37 103.276 1.934 -9.456 1.00 0.00 C ATOM 598 O LYS A 37 102.461 2.367 -8.665 1.00 0.00 O ATOM 599 CB LYS A 37 102.363 1.410 -11.731 1.00 0.00 C ATOM 600 CG LYS A 37 103.118 0.826 -12.927 1.00 0.00 C ATOM 601 CD LYS A 37 102.495 1.342 -14.226 1.00 0.00 C ATOM 602 CE LYS A 37 102.915 0.439 -15.389 1.00 0.00 C ATOM 603 NZ LYS A 37 101.990 -0.727 -15.471 1.00 0.00 N ATOM 0 H LYS A 37 100.943 0.402 -9.724 1.00 0.00 H new ATOM 0 HA LYS A 37 103.791 0.210 -10.656 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.298 1.197 -11.822 1.00 0.00 H new ATOM 0 HB3 LYS A 37 102.471 2.495 -11.715 1.00 0.00 H new ATOM 0 HG2 LYS A 37 104.170 1.107 -12.879 1.00 0.00 H new ATOM 0 HG3 LYS A 37 103.078 -0.263 -12.899 1.00 0.00 H new ATOM 0 HD2 LYS A 37 101.409 1.359 -14.139 1.00 0.00 H new ATOM 0 HD3 LYS A 37 102.816 2.367 -14.413 1.00 0.00 H new ATOM 0 HE2 LYS A 37 102.895 0.999 -16.324 1.00 0.00 H new ATOM 0 HE3 LYS A 37 103.939 0.095 -15.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 102.275 -1.341 -16.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 102.030 -1.265 -14.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 101.019 -0.389 -15.628 1.00 0.00 H new ATOM 617 N LEU A 38 104.491 2.408 -9.496 1.00 0.00 N ATOM 618 CA LEU A 38 104.889 3.496 -8.557 1.00 0.00 C ATOM 619 C LEU A 38 105.768 4.523 -9.275 1.00 0.00 C ATOM 620 O LEU A 38 106.838 4.212 -9.758 1.00 0.00 O ATOM 621 CB LEU A 38 105.676 2.900 -7.385 1.00 0.00 C ATOM 622 CG LEU A 38 104.999 1.611 -6.906 1.00 0.00 C ATOM 623 CD1 LEU A 38 105.541 0.417 -7.698 1.00 0.00 C ATOM 624 CD2 LEU A 38 105.292 1.408 -5.415 1.00 0.00 C ATOM 0 H LEU A 38 105.222 2.092 -10.134 1.00 0.00 H new ATOM 0 HA LEU A 38 103.988 3.987 -8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 38 106.701 2.691 -7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 38 105.729 3.619 -6.568 1.00 0.00 H new ATOM 0 HG LEU A 38 103.923 1.688 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 38 105.057 -0.497 -7.354 1.00 0.00 H new ATOM 0 HD12 LEU A 38 105.335 0.560 -8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 38 106.617 0.337 -7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 38 104.812 0.492 -5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 38 106.369 1.332 -5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 38 104.904 2.255 -4.849 1.00 0.00 H new ATOM 636 N THR A 39 105.333 5.754 -9.322 1.00 0.00 N ATOM 637 CA THR A 39 106.148 6.815 -9.977 1.00 0.00 C ATOM 638 C THR A 39 106.837 7.625 -8.879 1.00 0.00 C ATOM 639 O THR A 39 106.193 8.317 -8.116 1.00 0.00 O ATOM 640 CB THR A 39 105.240 7.729 -10.803 1.00 0.00 C ATOM 641 OG1 THR A 39 104.223 6.950 -11.419 1.00 0.00 O ATOM 642 CG2 THR A 39 106.066 8.435 -11.879 1.00 0.00 C ATOM 0 H THR A 39 104.445 6.070 -8.933 1.00 0.00 H new ATOM 0 HA THR A 39 106.889 6.369 -10.641 1.00 0.00 H new ATOM 0 HB THR A 39 104.784 8.475 -10.152 1.00 0.00 H new ATOM 0 HG1 THR A 39 103.639 7.533 -11.947 1.00 0.00 H new ATOM 0 HG21 THR A 39 105.418 9.086 -12.467 1.00 0.00 H new ATOM 0 HG22 THR A 39 106.846 9.031 -11.406 1.00 0.00 H new ATOM 0 HG23 THR A 39 106.523 7.692 -12.533 1.00 0.00 H new ATOM 650 N ILE A 40 108.135 7.525 -8.766 1.00 0.00 N ATOM 651 CA ILE A 40 108.839 8.268 -7.681 1.00 0.00 C ATOM 652 C ILE A 40 109.702 9.395 -8.246 1.00 0.00 C ATOM 653 O ILE A 40 110.313 9.275 -9.290 1.00 0.00 O ATOM 654 CB ILE A 40 109.731 7.302 -6.906 1.00 0.00 C ATOM 655 CG1 ILE A 40 108.862 6.216 -6.269 1.00 0.00 C ATOM 656 CG2 ILE A 40 110.476 8.064 -5.809 1.00 0.00 C ATOM 657 CD1 ILE A 40 108.535 5.138 -7.305 1.00 0.00 C ATOM 0 H ILE A 40 108.734 6.965 -9.373 1.00 0.00 H new ATOM 0 HA ILE A 40 108.086 8.705 -7.026 1.00 0.00 H new ATOM 0 HB ILE A 40 110.452 6.846 -7.584 1.00 0.00 H new ATOM 0 HG12 ILE A 40 109.383 5.772 -5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 40 107.941 6.654 -5.884 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.113 7.374 -5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.091 8.843 -6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 40 109.756 8.519 -5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 40 107.916 4.367 -6.845 1.00 0.00 H new ATOM 0 HD12 ILE A 40 107.996 5.587 -8.139 1.00 0.00 H new ATOM 0 HD13 ILE A 40 109.460 4.691 -7.669 1.00 0.00 H new ATOM 669 N THR A 41 109.764 10.484 -7.530 1.00 0.00 N ATOM 670 CA THR A 41 110.590 11.639 -7.959 1.00 0.00 C ATOM 671 C THR A 41 111.390 12.121 -6.749 1.00 0.00 C ATOM 672 O THR A 41 110.977 11.948 -5.620 1.00 0.00 O ATOM 673 CB THR A 41 109.683 12.765 -8.452 1.00 0.00 C ATOM 674 OG1 THR A 41 108.565 12.209 -9.131 1.00 0.00 O ATOM 675 CG2 THR A 41 110.464 13.673 -9.403 1.00 0.00 C ATOM 0 H THR A 41 109.266 10.621 -6.650 1.00 0.00 H new ATOM 0 HA THR A 41 111.259 11.347 -8.768 1.00 0.00 H new ATOM 0 HB THR A 41 109.335 13.351 -7.601 1.00 0.00 H new ATOM 0 HG1 THR A 41 107.982 12.931 -9.446 1.00 0.00 H new ATOM 0 HG21 THR A 41 109.816 14.476 -9.754 1.00 0.00 H new ATOM 0 HG22 THR A 41 111.319 14.100 -8.878 1.00 0.00 H new ATOM 0 HG23 THR A 41 110.815 13.091 -10.255 1.00 0.00 H new ATOM 683 N GLN A 42 112.530 12.712 -6.964 1.00 0.00 N ATOM 684 CA GLN A 42 113.345 13.186 -5.807 1.00 0.00 C ATOM 685 C GLN A 42 113.722 14.656 -6.002 1.00 0.00 C ATOM 686 O GLN A 42 113.941 15.108 -7.108 1.00 0.00 O ATOM 687 CB GLN A 42 114.619 12.343 -5.706 1.00 0.00 C ATOM 688 CG GLN A 42 115.606 13.018 -4.751 1.00 0.00 C ATOM 689 CD GLN A 42 116.567 11.971 -4.186 1.00 0.00 C ATOM 690 OE1 GLN A 42 117.710 11.897 -4.589 1.00 0.00 O ATOM 691 NE2 GLN A 42 116.147 11.150 -3.261 1.00 0.00 N ATOM 0 H GLN A 42 112.933 12.888 -7.884 1.00 0.00 H new ATOM 0 HA GLN A 42 112.762 13.085 -4.891 1.00 0.00 H new ATOM 0 HB2 GLN A 42 114.378 11.342 -5.348 1.00 0.00 H new ATOM 0 HB3 GLN A 42 115.071 12.229 -6.691 1.00 0.00 H new ATOM 0 HG2 GLN A 42 116.164 13.793 -5.276 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.067 13.507 -3.940 1.00 0.00 H new ATOM 0 HE21 GLN A 42 115.187 11.212 -2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 42 116.779 10.447 -2.878 1.00 0.00 H new ATOM 700 N GLU A 43 113.806 15.409 -4.934 1.00 0.00 N ATOM 701 CA GLU A 43 114.178 16.844 -5.068 1.00 0.00 C ATOM 702 C GLU A 43 115.061 17.258 -3.889 1.00 0.00 C ATOM 703 O GLU A 43 114.611 17.885 -2.950 1.00 0.00 O ATOM 704 CB GLU A 43 112.912 17.706 -5.084 1.00 0.00 C ATOM 705 CG GLU A 43 112.190 17.532 -6.422 1.00 0.00 C ATOM 706 CD GLU A 43 113.017 18.178 -7.535 1.00 0.00 C ATOM 707 OE1 GLU A 43 113.177 19.387 -7.502 1.00 0.00 O ATOM 708 OE2 GLU A 43 113.476 17.453 -8.402 1.00 0.00 O ATOM 0 H GLU A 43 113.633 15.091 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 43 114.725 16.987 -6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 43 112.254 17.419 -4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 43 113.171 18.754 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 43 112.042 16.473 -6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 43 111.202 17.989 -6.376 1.00 0.00 H new ATOM 715 N GLY A 44 116.320 16.920 -3.938 1.00 0.00 N ATOM 716 CA GLY A 44 117.245 17.301 -2.833 1.00 0.00 C ATOM 717 C GLY A 44 116.817 16.637 -1.519 1.00 0.00 C ATOM 718 O GLY A 44 117.274 15.564 -1.178 1.00 0.00 O ATOM 0 H GLY A 44 116.750 16.394 -4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 44 118.263 17.002 -3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 44 117.252 18.384 -2.714 1.00 0.00 H new ATOM 722 N ASN A 45 115.961 17.280 -0.770 1.00 0.00 N ATOM 723 CA ASN A 45 115.519 16.707 0.538 1.00 0.00 C ATOM 724 C ASN A 45 113.998 16.558 0.564 1.00 0.00 C ATOM 725 O ASN A 45 113.380 16.615 1.608 1.00 0.00 O ATOM 726 CB ASN A 45 115.960 17.632 1.676 1.00 0.00 C ATOM 727 CG ASN A 45 117.322 18.242 1.339 1.00 0.00 C ATOM 728 OD1 ASN A 45 117.436 19.033 0.424 1.00 0.00 O ATOM 729 ND2 ASN A 45 118.366 17.907 2.046 1.00 0.00 N ATOM 0 H ASN A 45 115.546 18.181 -1.008 1.00 0.00 H new ATOM 0 HA ASN A 45 115.973 15.724 0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.223 18.421 1.824 1.00 0.00 H new ATOM 0 HB3 ASN A 45 116.021 17.073 2.610 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.278 18.309 1.831 1.00 0.00 H new ATOM 0 HD22 ASN A 45 118.270 17.243 2.814 1.00 0.00 H new ATOM 736 N LYS A 46 113.390 16.357 -0.567 1.00 0.00 N ATOM 737 CA LYS A 46 111.922 16.194 -0.599 1.00 0.00 C ATOM 738 C LYS A 46 111.570 15.315 -1.790 1.00 0.00 C ATOM 739 O LYS A 46 111.693 15.703 -2.934 1.00 0.00 O ATOM 740 CB LYS A 46 111.247 17.561 -0.748 1.00 0.00 C ATOM 741 CG LYS A 46 111.082 18.220 0.629 1.00 0.00 C ATOM 742 CD LYS A 46 112.108 19.345 0.791 1.00 0.00 C ATOM 743 CE LYS A 46 111.879 20.060 2.124 1.00 0.00 C ATOM 744 NZ LYS A 46 113.163 20.645 2.602 1.00 0.00 N ATOM 0 H LYS A 46 113.853 16.299 -1.474 1.00 0.00 H new ATOM 0 HA LYS A 46 111.575 15.736 0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 46 111.844 18.201 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 46 110.273 17.445 -1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 46 110.073 18.618 0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 46 111.215 17.478 1.416 1.00 0.00 H new ATOM 0 HD2 LYS A 46 113.118 18.938 0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 46 112.020 20.053 -0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 46 111.132 20.845 2.004 1.00 0.00 H new ATOM 0 HE3 LYS A 46 111.489 19.359 2.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 113.007 21.131 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 113.863 19.887 2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 113.517 21.326 1.900 1.00 0.00 H new ATOM 758 N PHE A 47 111.138 14.132 -1.514 1.00 0.00 N ATOM 759 CA PHE A 47 110.772 13.186 -2.602 1.00 0.00 C ATOM 760 C PHE A 47 109.256 13.166 -2.786 1.00 0.00 C ATOM 761 O PHE A 47 108.517 13.762 -2.029 1.00 0.00 O ATOM 762 CB PHE A 47 111.261 11.779 -2.244 1.00 0.00 C ATOM 763 CG PHE A 47 112.526 11.877 -1.427 1.00 0.00 C ATOM 764 CD1 PHE A 47 113.467 12.875 -1.708 1.00 0.00 C ATOM 765 CD2 PHE A 47 112.760 10.969 -0.387 1.00 0.00 C ATOM 766 CE1 PHE A 47 114.640 12.966 -0.950 1.00 0.00 C ATOM 767 CE2 PHE A 47 113.932 11.058 0.371 1.00 0.00 C ATOM 768 CZ PHE A 47 114.873 12.057 0.090 1.00 0.00 C ATOM 0 H PHE A 47 111.018 13.767 -0.569 1.00 0.00 H new ATOM 0 HA PHE A 47 111.242 13.511 -3.530 1.00 0.00 H new ATOM 0 HB2 PHE A 47 110.493 11.248 -1.682 1.00 0.00 H new ATOM 0 HB3 PHE A 47 111.446 11.205 -3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.287 13.575 -2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 47 112.035 10.199 -0.170 1.00 0.00 H new ATOM 0 HE1 PHE A 47 115.365 13.737 -1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 47 114.111 10.357 1.173 1.00 0.00 H new ATOM 0 HZ PHE A 47 115.778 12.126 0.675 1.00 0.00 H new ATOM 778 N THR A 48 108.789 12.469 -3.785 1.00 0.00 N ATOM 779 CA THR A 48 107.330 12.389 -4.023 1.00 0.00 C ATOM 780 C THR A 48 107.021 11.030 -4.643 1.00 0.00 C ATOM 781 O THR A 48 107.259 10.791 -5.812 1.00 0.00 O ATOM 782 CB THR A 48 106.901 13.502 -4.982 1.00 0.00 C ATOM 783 OG1 THR A 48 107.176 14.764 -4.391 1.00 0.00 O ATOM 784 CG2 THR A 48 105.402 13.385 -5.266 1.00 0.00 C ATOM 0 H THR A 48 109.364 11.950 -4.448 1.00 0.00 H new ATOM 0 HA THR A 48 106.789 12.507 -3.084 1.00 0.00 H new ATOM 0 HB THR A 48 107.453 13.409 -5.917 1.00 0.00 H new ATOM 0 HG1 THR A 48 106.904 15.479 -5.004 1.00 0.00 H new ATOM 0 HG21 THR A 48 105.098 14.178 -5.949 1.00 0.00 H new ATOM 0 HG22 THR A 48 105.192 12.416 -5.719 1.00 0.00 H new ATOM 0 HG23 THR A 48 104.847 13.477 -4.333 1.00 0.00 H new ATOM 792 N VAL A 49 106.502 10.140 -3.857 1.00 0.00 N ATOM 793 CA VAL A 49 106.174 8.780 -4.366 1.00 0.00 C ATOM 794 C VAL A 49 104.699 8.723 -4.760 1.00 0.00 C ATOM 795 O VAL A 49 103.821 8.768 -3.921 1.00 0.00 O ATOM 796 CB VAL A 49 106.448 7.751 -3.269 1.00 0.00 C ATOM 797 CG1 VAL A 49 105.918 6.383 -3.705 1.00 0.00 C ATOM 798 CG2 VAL A 49 107.957 7.659 -3.022 1.00 0.00 C ATOM 0 H VAL A 49 106.287 10.294 -2.872 1.00 0.00 H new ATOM 0 HA VAL A 49 106.790 8.559 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 49 105.946 8.057 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.114 5.650 -2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 49 104.844 6.448 -3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 49 106.418 6.075 -4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 49 108.154 6.926 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 49 108.458 7.353 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 49 108.335 8.633 -2.710 1.00 0.00 H new ATOM 808 N LYS A 50 104.418 8.619 -6.028 1.00 0.00 N ATOM 809 CA LYS A 50 103.000 8.553 -6.472 1.00 0.00 C ATOM 810 C LYS A 50 102.629 7.100 -6.771 1.00 0.00 C ATOM 811 O LYS A 50 102.944 6.573 -7.820 1.00 0.00 O ATOM 812 CB LYS A 50 102.821 9.397 -7.736 1.00 0.00 C ATOM 813 CG LYS A 50 102.570 10.855 -7.347 1.00 0.00 C ATOM 814 CD LYS A 50 102.279 11.677 -8.605 1.00 0.00 C ATOM 815 CE LYS A 50 101.692 13.032 -8.205 1.00 0.00 C ATOM 816 NZ LYS A 50 102.205 13.419 -6.860 1.00 0.00 N ATOM 0 H LYS A 50 105.110 8.577 -6.776 1.00 0.00 H new ATOM 0 HA LYS A 50 102.353 8.939 -5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 50 103.710 9.325 -8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 50 101.985 9.018 -8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 50 101.729 10.918 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 50 103.440 11.259 -6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 50 103.195 11.821 -9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 50 101.581 11.142 -9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 50 101.963 13.789 -8.941 1.00 0.00 H new ATOM 0 HE3 LYS A 50 100.603 12.978 -8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 102.051 14.436 -6.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 101.700 12.880 -6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 103.222 13.211 -6.803 1.00 0.00 H new ATOM 830 N GLU A 51 101.960 6.445 -5.861 1.00 0.00 N ATOM 831 CA GLU A 51 101.572 5.027 -6.103 1.00 0.00 C ATOM 832 C GLU A 51 100.427 4.990 -7.115 1.00 0.00 C ATOM 833 O GLU A 51 99.722 5.963 -7.304 1.00 0.00 O ATOM 834 CB GLU A 51 101.116 4.390 -4.789 1.00 0.00 C ATOM 835 CG GLU A 51 102.321 3.780 -4.069 1.00 0.00 C ATOM 836 CD GLU A 51 102.056 3.751 -2.562 1.00 0.00 C ATOM 837 OE1 GLU A 51 102.354 2.739 -1.948 1.00 0.00 O ATOM 838 OE2 GLU A 51 101.559 4.740 -2.049 1.00 0.00 O ATOM 0 H GLU A 51 101.666 6.830 -4.963 1.00 0.00 H new ATOM 0 HA GLU A 51 102.426 4.472 -6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 51 100.642 5.139 -4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.369 3.621 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 51 102.504 2.770 -4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 51 103.217 4.363 -4.280 1.00 0.00 H new ATOM 845 N SER A 52 100.224 3.874 -7.760 1.00 0.00 N ATOM 846 CA SER A 52 99.124 3.779 -8.746 1.00 0.00 C ATOM 847 C SER A 52 98.819 2.314 -9.011 1.00 0.00 C ATOM 848 O SER A 52 99.559 1.611 -9.671 1.00 0.00 O ATOM 849 CB SER A 52 99.539 4.461 -10.049 1.00 0.00 C ATOM 850 OG SER A 52 100.179 5.695 -9.751 1.00 0.00 O ATOM 0 H SER A 52 100.777 3.025 -7.643 1.00 0.00 H new ATOM 0 HA SER A 52 98.236 4.274 -8.352 1.00 0.00 H new ATOM 0 HB2 SER A 52 100.213 3.815 -10.612 1.00 0.00 H new ATOM 0 HB3 SER A 52 98.665 4.634 -10.677 1.00 0.00 H new ATOM 0 HG SER A 52 99.777 6.087 -8.948 1.00 0.00 H new ATOM 856 N SER A 53 97.719 1.865 -8.504 1.00 0.00 N ATOM 857 CA SER A 53 97.306 0.457 -8.707 1.00 0.00 C ATOM 858 C SER A 53 95.824 0.438 -9.071 1.00 0.00 C ATOM 859 O SER A 53 95.046 1.227 -8.573 1.00 0.00 O ATOM 860 CB SER A 53 97.527 -0.335 -7.417 1.00 0.00 C ATOM 861 OG SER A 53 96.283 -0.499 -6.749 1.00 0.00 O ATOM 0 H SER A 53 97.073 2.423 -7.946 1.00 0.00 H new ATOM 0 HA SER A 53 97.895 0.005 -9.505 1.00 0.00 H new ATOM 0 HB2 SER A 53 97.962 -1.308 -7.644 1.00 0.00 H new ATOM 0 HB3 SER A 53 98.233 0.188 -6.772 1.00 0.00 H new ATOM 0 HG SER A 53 96.413 -0.391 -5.784 1.00 0.00 H new ATOM 867 N ALA A 54 95.418 -0.453 -9.927 1.00 0.00 N ATOM 868 CA ALA A 54 93.981 -0.509 -10.304 1.00 0.00 C ATOM 869 C ALA A 54 93.141 -0.742 -9.047 1.00 0.00 C ATOM 870 O ALA A 54 91.952 -0.980 -9.121 1.00 0.00 O ATOM 871 CB ALA A 54 93.755 -1.654 -11.292 1.00 0.00 C ATOM 0 H ALA A 54 96.016 -1.143 -10.381 1.00 0.00 H new ATOM 0 HA ALA A 54 93.687 0.431 -10.771 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.701 -1.694 -11.568 1.00 0.00 H new ATOM 0 HB2 ALA A 54 94.358 -1.488 -12.185 1.00 0.00 H new ATOM 0 HB3 ALA A 54 94.045 -2.597 -10.829 1.00 0.00 H new ATOM 877 N PHE A 55 93.756 -0.694 -7.893 1.00 0.00 N ATOM 878 CA PHE A 55 92.999 -0.935 -6.635 1.00 0.00 C ATOM 879 C PHE A 55 92.925 0.339 -5.782 1.00 0.00 C ATOM 880 O PHE A 55 92.077 0.448 -4.920 1.00 0.00 O ATOM 881 CB PHE A 55 93.694 -2.037 -5.834 1.00 0.00 C ATOM 882 CG PHE A 55 93.756 -3.298 -6.662 1.00 0.00 C ATOM 883 CD1 PHE A 55 94.824 -3.505 -7.543 1.00 0.00 C ATOM 884 CD2 PHE A 55 92.745 -4.260 -6.549 1.00 0.00 C ATOM 885 CE1 PHE A 55 94.881 -4.674 -8.311 1.00 0.00 C ATOM 886 CE2 PHE A 55 92.802 -5.429 -7.318 1.00 0.00 C ATOM 887 CZ PHE A 55 93.870 -5.636 -8.199 1.00 0.00 C ATOM 0 H PHE A 55 94.750 -0.498 -7.771 1.00 0.00 H new ATOM 0 HA PHE A 55 91.984 -1.236 -6.894 1.00 0.00 H new ATOM 0 HB2 PHE A 55 94.700 -1.721 -5.557 1.00 0.00 H new ATOM 0 HB3 PHE A 55 93.152 -2.224 -4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 55 95.604 -2.763 -7.630 1.00 0.00 H new ATOM 0 HD2 PHE A 55 91.921 -4.101 -5.869 1.00 0.00 H new ATOM 0 HE1 PHE A 55 95.705 -4.834 -8.990 1.00 0.00 H new ATOM 0 HE2 PHE A 55 92.022 -6.171 -7.231 1.00 0.00 H new ATOM 0 HZ PHE A 55 93.914 -6.537 -8.792 1.00 0.00 H new ATOM 897 N ARG A 56 93.792 1.303 -5.995 1.00 0.00 N ATOM 898 CA ARG A 56 93.732 2.540 -5.166 1.00 0.00 C ATOM 899 C ARG A 56 95.051 3.302 -5.288 1.00 0.00 C ATOM 900 O ARG A 56 95.948 3.146 -4.484 1.00 0.00 O ATOM 901 CB ARG A 56 93.496 2.172 -3.693 1.00 0.00 C ATOM 902 CG ARG A 56 92.051 2.499 -3.300 1.00 0.00 C ATOM 903 CD ARG A 56 91.969 3.953 -2.833 1.00 0.00 C ATOM 904 NE ARG A 56 90.541 4.378 -2.786 1.00 0.00 N ATOM 905 CZ ARG A 56 90.175 5.345 -1.990 1.00 0.00 C ATOM 906 NH1 ARG A 56 88.924 5.716 -1.948 1.00 0.00 N ATOM 907 NH2 ARG A 56 91.058 5.941 -1.236 1.00 0.00 N ATOM 0 H ARG A 56 94.529 1.283 -6.700 1.00 0.00 H new ATOM 0 HA ARG A 56 92.912 3.165 -5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.693 1.111 -3.538 1.00 0.00 H new ATOM 0 HB3 ARG A 56 94.189 2.722 -3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 56 91.387 2.340 -4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 56 91.718 1.831 -2.506 1.00 0.00 H new ATOM 0 HD2 ARG A 56 92.423 4.056 -1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 56 92.529 4.597 -3.511 1.00 0.00 H new ATOM 0 HE ARG A 56 89.850 3.913 -3.376 1.00 0.00 H new ATOM 0 HH11 ARG A 56 88.234 5.250 -2.537 1.00 0.00 H new ATOM 0 HH12 ARG A 56 88.637 6.472 -1.326 1.00 0.00 H new ATOM 0 HH21 ARG A 56 92.035 5.651 -1.269 1.00 0.00 H new ATOM 0 HH22 ARG A 56 90.771 6.697 -0.614 1.00 0.00 H new ATOM 921 N ASN A 57 95.172 4.129 -6.284 1.00 0.00 N ATOM 922 CA ASN A 57 96.431 4.906 -6.456 1.00 0.00 C ATOM 923 C ASN A 57 96.621 5.832 -5.254 1.00 0.00 C ATOM 924 O ASN A 57 95.667 6.284 -4.652 1.00 0.00 O ATOM 925 CB ASN A 57 96.343 5.743 -7.734 1.00 0.00 C ATOM 926 CG ASN A 57 95.214 6.765 -7.599 1.00 0.00 C ATOM 927 OD1 ASN A 57 93.998 6.348 -7.374 1.00 0.00 O flip ATOM 928 ND2 ASN A 57 95.439 7.955 -7.697 1.00 0.00 N flip ATOM 0 H ASN A 57 94.455 4.302 -6.988 1.00 0.00 H new ATOM 0 HA ASN A 57 97.276 4.221 -6.528 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.290 6.253 -7.913 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.162 5.097 -8.593 1.00 0.00 H new ATOM 0 HD21 ASN A 57 96.389 8.282 -7.873 1.00 0.00 H new ATOM 0 HD22 ASN A 57 94.678 8.627 -7.603 1.00 0.00 H new ATOM 935 N ILE A 58 97.845 6.104 -4.885 1.00 0.00 N ATOM 936 CA ILE A 58 98.089 6.980 -3.711 1.00 0.00 C ATOM 937 C ILE A 58 99.302 7.872 -3.954 1.00 0.00 C ATOM 938 O ILE A 58 100.005 7.749 -4.937 1.00 0.00 O ATOM 939 CB ILE A 58 98.360 6.132 -2.479 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.539 4.849 -2.544 1.00 0.00 C ATOM 941 CG2 ILE A 58 97.985 6.915 -1.215 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.574 4.185 -1.172 1.00 0.00 C ATOM 0 H ILE A 58 98.684 5.755 -5.349 1.00 0.00 H new ATOM 0 HA ILE A 58 97.203 7.596 -3.558 1.00 0.00 H new ATOM 0 HB ILE A 58 99.420 5.882 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.511 5.071 -2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 58 97.944 4.177 -3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 58 98.182 6.302 -0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 58 98.580 7.827 -1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 58 96.927 7.174 -1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 58 96.991 3.264 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.605 3.954 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 58 97.150 4.861 -0.430 1.00 0.00 H new ATOM 954 N GLU A 59 99.547 8.765 -3.042 1.00 0.00 N ATOM 955 CA GLU A 59 100.713 9.683 -3.166 1.00 0.00 C ATOM 956 C GLU A 59 101.249 9.990 -1.768 1.00 0.00 C ATOM 957 O GLU A 59 100.500 10.102 -0.819 1.00 0.00 O ATOM 958 CB GLU A 59 100.277 10.982 -3.853 1.00 0.00 C ATOM 959 CG GLU A 59 99.599 11.901 -2.834 1.00 0.00 C ATOM 960 CD GLU A 59 98.645 12.852 -3.561 1.00 0.00 C ATOM 961 OE1 GLU A 59 98.709 12.909 -4.777 1.00 0.00 O ATOM 962 OE2 GLU A 59 97.868 13.508 -2.886 1.00 0.00 O ATOM 0 H GLU A 59 98.982 8.901 -2.204 1.00 0.00 H new ATOM 0 HA GLU A 59 101.493 9.213 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 59 101.142 11.482 -4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 59 99.591 10.760 -4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 59 99.051 11.308 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 59 100.350 12.470 -2.286 1.00 0.00 H new ATOM 969 N CYS A 60 102.539 10.116 -1.629 1.00 0.00 N ATOM 970 CA CYS A 60 103.107 10.403 -0.282 1.00 0.00 C ATOM 971 C CYS A 60 104.439 11.141 -0.416 1.00 0.00 C ATOM 972 O CYS A 60 105.398 10.620 -0.949 1.00 0.00 O ATOM 973 CB CYS A 60 103.344 9.085 0.459 1.00 0.00 C ATOM 974 SG CYS A 60 101.782 8.476 1.139 1.00 0.00 S ATOM 0 H CYS A 60 103.221 10.034 -2.383 1.00 0.00 H new ATOM 0 HA CYS A 60 102.404 11.026 0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 60 103.768 8.346 -0.221 1.00 0.00 H new ATOM 0 HB3 CYS A 60 104.067 9.233 1.261 1.00 0.00 H new ATOM 980 N VAL A 61 104.514 12.343 0.085 1.00 0.00 N ATOM 981 CA VAL A 61 105.793 13.098 0.006 1.00 0.00 C ATOM 982 C VAL A 61 106.738 12.552 1.076 1.00 0.00 C ATOM 983 O VAL A 61 106.305 12.062 2.100 1.00 0.00 O ATOM 984 CB VAL A 61 105.532 14.586 0.259 1.00 0.00 C ATOM 985 CG1 VAL A 61 106.553 15.424 -0.512 1.00 0.00 C ATOM 986 CG2 VAL A 61 104.121 14.941 -0.213 1.00 0.00 C ATOM 0 H VAL A 61 103.746 12.833 0.544 1.00 0.00 H new ATOM 0 HA VAL A 61 106.237 12.983 -0.983 1.00 0.00 H new ATOM 0 HB VAL A 61 105.624 14.795 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 61 106.366 16.482 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 61 107.559 15.171 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 61 106.463 15.217 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 61 103.933 16.000 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 61 104.030 14.732 -1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 61 103.393 14.345 0.337 1.00 0.00 H new ATOM 996 N PHE A 62 108.022 12.617 0.854 1.00 0.00 N ATOM 997 CA PHE A 62 108.966 12.083 1.872 1.00 0.00 C ATOM 998 C PHE A 62 110.166 13.017 2.029 1.00 0.00 C ATOM 999 O PHE A 62 110.518 13.758 1.132 1.00 0.00 O ATOM 1000 CB PHE A 62 109.453 10.696 1.444 1.00 0.00 C ATOM 1001 CG PHE A 62 108.321 9.698 1.551 1.00 0.00 C ATOM 1002 CD1 PHE A 62 107.952 8.937 0.435 1.00 0.00 C ATOM 1003 CD2 PHE A 62 107.645 9.528 2.766 1.00 0.00 C ATOM 1004 CE1 PHE A 62 106.906 8.010 0.534 1.00 0.00 C ATOM 1005 CE2 PHE A 62 106.600 8.603 2.863 1.00 0.00 C ATOM 1006 CZ PHE A 62 106.230 7.844 1.748 1.00 0.00 C ATOM 0 H PHE A 62 108.454 13.013 0.019 1.00 0.00 H new ATOM 0 HA PHE A 62 108.446 12.012 2.827 1.00 0.00 H new ATOM 0 HB2 PHE A 62 109.823 10.731 0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 62 110.286 10.383 2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 62 108.474 9.065 -0.502 1.00 0.00 H new ATOM 0 HD2 PHE A 62 107.931 10.112 3.629 1.00 0.00 H new ATOM 0 HE1 PHE A 62 106.621 7.423 -0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 62 106.078 8.475 3.800 1.00 0.00 H new ATOM 0 HZ PHE A 62 105.423 7.130 1.824 1.00 0.00 H new ATOM 1016 N GLU A 63 110.797 12.978 3.171 1.00 0.00 N ATOM 1017 CA GLU A 63 111.980 13.849 3.415 1.00 0.00 C ATOM 1018 C GLU A 63 112.919 13.137 4.393 1.00 0.00 C ATOM 1019 O GLU A 63 112.564 12.140 4.990 1.00 0.00 O ATOM 1020 CB GLU A 63 111.521 15.180 4.014 1.00 0.00 C ATOM 1021 CG GLU A 63 112.738 15.981 4.480 1.00 0.00 C ATOM 1022 CD GLU A 63 112.344 17.448 4.661 1.00 0.00 C ATOM 1023 OE1 GLU A 63 113.234 18.262 4.847 1.00 0.00 O ATOM 1024 OE2 GLU A 63 111.159 17.734 4.611 1.00 0.00 O ATOM 0 H GLU A 63 110.540 12.374 3.952 1.00 0.00 H new ATOM 0 HA GLU A 63 112.501 14.044 2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 63 110.960 15.750 3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 63 110.849 15.000 4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 63 113.115 15.576 5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 63 113.543 15.897 3.750 1.00 0.00 H new ATOM 1031 N LEU A 64 114.117 13.628 4.557 1.00 0.00 N ATOM 1032 CA LEU A 64 115.070 12.962 5.488 1.00 0.00 C ATOM 1033 C LEU A 64 115.100 13.696 6.831 1.00 0.00 C ATOM 1034 O LEU A 64 115.370 14.879 6.898 1.00 0.00 O ATOM 1035 CB LEU A 64 116.471 12.977 4.875 1.00 0.00 C ATOM 1036 CG LEU A 64 116.485 12.117 3.610 1.00 0.00 C ATOM 1037 CD1 LEU A 64 117.583 12.614 2.668 1.00 0.00 C ATOM 1038 CD2 LEU A 64 116.758 10.659 3.987 1.00 0.00 C ATOM 0 H LEU A 64 114.476 14.459 4.088 1.00 0.00 H new ATOM 0 HA LEU A 64 114.745 11.934 5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 64 116.764 13.999 4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 64 117.198 12.598 5.593 1.00 0.00 H new ATOM 0 HG LEU A 64 115.518 12.188 3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.594 12.002 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 64 117.389 13.652 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 64 118.550 12.543 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 64 116.768 10.046 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 64 117.725 10.587 4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 64 115.976 10.304 4.658 1.00 0.00 H new ATOM 1050 N GLY A 65 114.839 12.998 7.904 1.00 0.00 N ATOM 1051 CA GLY A 65 114.871 13.652 9.246 1.00 0.00 C ATOM 1052 C GLY A 65 113.554 14.383 9.513 1.00 0.00 C ATOM 1053 O GLY A 65 113.513 15.356 10.238 1.00 0.00 O ATOM 0 H GLY A 65 114.605 12.005 7.910 1.00 0.00 H new ATOM 0 HA2 GLY A 65 115.042 12.903 10.019 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.702 14.356 9.295 1.00 0.00 H new ATOM 1057 N VAL A 66 112.475 13.921 8.944 1.00 0.00 N ATOM 1058 CA VAL A 66 111.167 14.590 9.181 1.00 0.00 C ATOM 1059 C VAL A 66 110.064 13.533 9.234 1.00 0.00 C ATOM 1060 O VAL A 66 109.633 13.024 8.220 1.00 0.00 O ATOM 1061 CB VAL A 66 110.880 15.572 8.044 1.00 0.00 C ATOM 1062 CG1 VAL A 66 109.588 16.336 8.343 1.00 0.00 C ATOM 1063 CG2 VAL A 66 112.039 16.565 7.923 1.00 0.00 C ATOM 0 H VAL A 66 112.443 13.110 8.326 1.00 0.00 H new ATOM 0 HA VAL A 66 111.200 15.133 10.126 1.00 0.00 H new ATOM 0 HB VAL A 66 110.771 15.022 7.109 1.00 0.00 H new ATOM 0 HG11 VAL A 66 109.383 17.036 7.533 1.00 0.00 H new ATOM 0 HG12 VAL A 66 108.761 15.632 8.432 1.00 0.00 H new ATOM 0 HG13 VAL A 66 109.698 16.885 9.278 1.00 0.00 H new ATOM 0 HG21 VAL A 66 111.835 17.265 7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 66 112.147 17.114 8.858 1.00 0.00 H new ATOM 0 HG23 VAL A 66 112.961 16.024 7.711 1.00 0.00 H new ATOM 1073 N THR A 67 109.606 13.194 10.408 1.00 0.00 N ATOM 1074 CA THR A 67 108.535 12.167 10.519 1.00 0.00 C ATOM 1075 C THR A 67 107.316 12.601 9.723 1.00 0.00 C ATOM 1076 O THR A 67 106.935 13.755 9.705 1.00 0.00 O ATOM 1077 CB THR A 67 108.135 11.992 11.981 1.00 0.00 C ATOM 1078 OG1 THR A 67 109.256 12.256 12.814 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.643 10.561 12.216 1.00 0.00 C ATOM 0 H THR A 67 109.928 13.584 11.294 1.00 0.00 H new ATOM 0 HA THR A 67 108.913 11.224 10.125 1.00 0.00 H new ATOM 0 HB THR A 67 107.333 12.689 12.222 1.00 0.00 H new ATOM 0 HG1 THR A 67 108.999 12.145 13.753 1.00 0.00 H new ATOM 0 HG21 THR A 67 107.359 10.441 13.261 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.780 10.364 11.580 1.00 0.00 H new ATOM 0 HG23 THR A 67 108.440 9.858 11.974 1.00 0.00 H new ATOM 1087 N PHE A 68 106.693 11.664 9.092 1.00 0.00 N ATOM 1088 CA PHE A 68 105.469 11.960 8.306 1.00 0.00 C ATOM 1089 C PHE A 68 104.612 10.705 8.302 1.00 0.00 C ATOM 1090 O PHE A 68 104.900 9.760 9.005 1.00 0.00 O ATOM 1091 CB PHE A 68 105.826 12.357 6.871 1.00 0.00 C ATOM 1092 CG PHE A 68 107.135 11.727 6.468 1.00 0.00 C ATOM 1093 CD1 PHE A 68 107.245 10.335 6.379 1.00 0.00 C ATOM 1094 CD2 PHE A 68 108.237 12.540 6.176 1.00 0.00 C ATOM 1095 CE1 PHE A 68 108.462 9.756 5.996 1.00 0.00 C ATOM 1096 CE2 PHE A 68 109.451 11.960 5.794 1.00 0.00 C ATOM 1097 CZ PHE A 68 109.561 10.569 5.704 1.00 0.00 C ATOM 0 H PHE A 68 106.981 10.685 9.084 1.00 0.00 H new ATOM 0 HA PHE A 68 104.930 12.795 8.754 1.00 0.00 H new ATOM 0 HB2 PHE A 68 105.036 12.039 6.191 1.00 0.00 H new ATOM 0 HB3 PHE A 68 105.897 13.442 6.793 1.00 0.00 H new ATOM 0 HD1 PHE A 68 106.395 9.709 6.605 1.00 0.00 H new ATOM 0 HD2 PHE A 68 108.150 13.614 6.246 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.551 8.682 5.926 1.00 0.00 H new ATOM 0 HE2 PHE A 68 110.302 12.586 5.569 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.498 10.121 5.408 1.00 0.00 H new ATOM 1107 N ASN A 69 103.563 10.674 7.534 1.00 0.00 N ATOM 1108 CA ASN A 69 102.712 9.459 7.531 1.00 0.00 C ATOM 1109 C ASN A 69 102.276 9.111 6.111 1.00 0.00 C ATOM 1110 O ASN A 69 102.122 9.965 5.260 1.00 0.00 O ATOM 1111 CB ASN A 69 101.474 9.703 8.398 1.00 0.00 C ATOM 1112 CG ASN A 69 100.520 10.652 7.670 1.00 0.00 C ATOM 1113 OD1 ASN A 69 100.660 11.857 7.757 1.00 0.00 O ATOM 1114 ND2 ASN A 69 99.549 10.159 6.953 1.00 0.00 N ATOM 0 H ASN A 69 103.261 11.427 6.916 1.00 0.00 H new ATOM 0 HA ASN A 69 103.290 8.627 7.933 1.00 0.00 H new ATOM 0 HB2 ASN A 69 100.973 8.758 8.609 1.00 0.00 H new ATOM 0 HB3 ASN A 69 101.767 10.130 9.357 1.00 0.00 H new ATOM 0 HD21 ASN A 69 98.907 10.784 6.465 1.00 0.00 H new ATOM 0 HD22 ASN A 69 99.431 9.148 6.880 1.00 0.00 H new ATOM 1121 N CYS A 70 102.063 7.850 5.863 1.00 0.00 N ATOM 1122 CA CYS A 70 101.619 7.404 4.519 1.00 0.00 C ATOM 1123 C CYS A 70 100.802 6.129 4.695 1.00 0.00 C ATOM 1124 O CYS A 70 101.162 5.255 5.461 1.00 0.00 O ATOM 1125 CB CYS A 70 102.833 7.121 3.633 1.00 0.00 C ATOM 1126 SG CYS A 70 102.271 6.698 1.965 1.00 0.00 S ATOM 0 H CYS A 70 102.180 7.101 6.545 1.00 0.00 H new ATOM 0 HA CYS A 70 101.019 8.180 4.043 1.00 0.00 H new ATOM 0 HB2 CYS A 70 103.484 7.994 3.599 1.00 0.00 H new ATOM 0 HB3 CYS A 70 103.419 6.302 4.050 1.00 0.00 H new ATOM 1132 N ASN A 71 99.697 6.012 4.019 1.00 0.00 N ATOM 1133 CA ASN A 71 98.868 4.791 4.188 1.00 0.00 C ATOM 1134 C ASN A 71 99.205 3.770 3.104 1.00 0.00 C ATOM 1135 O ASN A 71 99.493 4.113 1.975 1.00 0.00 O ATOM 1136 CB ASN A 71 97.385 5.162 4.099 1.00 0.00 C ATOM 1137 CG ASN A 71 97.174 6.151 2.952 1.00 0.00 C ATOM 1138 OD1 ASN A 71 98.120 6.319 2.068 1.00 0.00 O flip ATOM 1139 ND2 ASN A 71 96.138 6.778 2.857 1.00 0.00 N flip ATOM 0 H ASN A 71 99.334 6.703 3.362 1.00 0.00 H new ATOM 0 HA ASN A 71 99.078 4.353 5.164 1.00 0.00 H new ATOM 0 HB2 ASN A 71 96.785 4.267 3.936 1.00 0.00 H new ATOM 0 HB3 ASN A 71 97.052 5.603 5.039 1.00 0.00 H new ATOM 0 HD21 ASN A 71 95.398 6.648 3.547 1.00 0.00 H new ATOM 0 HD22 ASN A 71 96.008 7.435 2.087 1.00 0.00 H new ATOM 1146 N LEU A 72 99.165 2.511 3.445 1.00 0.00 N ATOM 1147 CA LEU A 72 99.477 1.456 2.443 1.00 0.00 C ATOM 1148 C LEU A 72 98.181 0.979 1.783 1.00 0.00 C ATOM 1149 O LEU A 72 97.134 0.944 2.402 1.00 0.00 O ATOM 1150 CB LEU A 72 100.159 0.275 3.138 1.00 0.00 C ATOM 1151 CG LEU A 72 101.530 0.711 3.663 1.00 0.00 C ATOM 1152 CD1 LEU A 72 102.127 -0.408 4.518 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.462 1.002 2.483 1.00 0.00 C ATOM 0 H LEU A 72 98.929 2.168 4.376 1.00 0.00 H new ATOM 0 HA LEU A 72 100.144 1.864 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 72 99.540 -0.083 3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 72 100.272 -0.555 2.440 1.00 0.00 H new ATOM 0 HG LEU A 72 101.417 1.611 4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 72 103.103 -0.099 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 72 101.465 -0.616 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 72 102.239 -1.308 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.437 1.312 2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 72 102.575 0.102 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 72 102.038 1.799 1.872 1.00 0.00 H new ATOM 1165 N ALA A 73 98.248 0.615 0.530 1.00 0.00 N ATOM 1166 CA ALA A 73 97.026 0.142 -0.184 1.00 0.00 C ATOM 1167 C ALA A 73 96.213 -0.775 0.730 1.00 0.00 C ATOM 1168 O ALA A 73 94.998 -0.773 0.703 1.00 0.00 O ATOM 1169 CB ALA A 73 97.439 -0.627 -1.441 1.00 0.00 C ATOM 0 H ALA A 73 99.099 0.625 -0.032 1.00 0.00 H new ATOM 0 HA ALA A 73 96.416 1.001 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 73 96.548 -0.974 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 73 98.013 0.028 -2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 73 98.051 -1.484 -1.159 1.00 0.00 H new ATOM 1175 N ASP A 74 96.869 -1.561 1.540 1.00 0.00 N ATOM 1176 CA ASP A 74 96.125 -2.473 2.451 1.00 0.00 C ATOM 1177 C ASP A 74 95.188 -1.652 3.340 1.00 0.00 C ATOM 1178 O ASP A 74 94.536 -2.176 4.221 1.00 0.00 O ATOM 1179 CB ASP A 74 97.117 -3.242 3.326 1.00 0.00 C ATOM 1180 CG ASP A 74 96.404 -4.423 3.989 1.00 0.00 C ATOM 1181 OD1 ASP A 74 96.234 -4.384 5.197 1.00 0.00 O ATOM 1182 OD2 ASP A 74 96.043 -5.346 3.279 1.00 0.00 O ATOM 0 H ASP A 74 97.885 -1.610 1.609 1.00 0.00 H new ATOM 0 HA ASP A 74 95.540 -3.179 1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 74 97.950 -3.600 2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 74 97.535 -2.582 4.086 1.00 0.00 H new ATOM 1187 N GLY A 75 95.117 -0.368 3.117 1.00 0.00 N ATOM 1188 CA GLY A 75 94.225 0.487 3.950 1.00 0.00 C ATOM 1189 C GLY A 75 94.873 0.718 5.313 1.00 0.00 C ATOM 1190 O GLY A 75 94.204 0.950 6.300 1.00 0.00 O ATOM 0 H GLY A 75 95.639 0.126 2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 75 94.049 1.441 3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 75 93.254 0.007 4.073 1.00 0.00 H new ATOM 1194 N THR A 76 96.176 0.652 5.379 1.00 0.00 N ATOM 1195 CA THR A 76 96.870 0.863 6.674 1.00 0.00 C ATOM 1196 C THR A 76 97.417 2.288 6.736 1.00 0.00 C ATOM 1197 O THR A 76 97.562 2.953 5.731 1.00 0.00 O ATOM 1198 CB THR A 76 98.026 -0.124 6.802 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.858 -1.177 5.863 1.00 0.00 O ATOM 1200 CG2 THR A 76 98.066 -0.698 8.219 1.00 0.00 C ATOM 0 H THR A 76 96.788 0.460 4.586 1.00 0.00 H new ATOM 0 HA THR A 76 96.163 0.706 7.489 1.00 0.00 H new ATOM 0 HB THR A 76 98.964 0.394 6.601 1.00 0.00 H new ATOM 0 HG1 THR A 76 98.602 -1.810 5.945 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.894 -1.402 8.303 1.00 0.00 H new ATOM 0 HG22 THR A 76 98.204 0.112 8.936 1.00 0.00 H new ATOM 0 HG23 THR A 76 97.129 -1.213 8.429 1.00 0.00 H new ATOM 1208 N GLU A 77 97.727 2.749 7.911 1.00 0.00 N ATOM 1209 CA GLU A 77 98.276 4.122 8.065 1.00 0.00 C ATOM 1210 C GLU A 77 99.502 4.067 8.981 1.00 0.00 C ATOM 1211 O GLU A 77 99.418 3.614 10.103 1.00 0.00 O ATOM 1212 CB GLU A 77 97.214 5.031 8.685 1.00 0.00 C ATOM 1213 CG GLU A 77 97.660 6.487 8.559 1.00 0.00 C ATOM 1214 CD GLU A 77 96.679 7.390 9.309 1.00 0.00 C ATOM 1215 OE1 GLU A 77 96.524 7.197 10.505 1.00 0.00 O ATOM 1216 OE2 GLU A 77 96.100 8.258 8.678 1.00 0.00 O ATOM 0 H GLU A 77 97.623 2.228 8.782 1.00 0.00 H new ATOM 0 HA GLU A 77 98.561 4.517 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 77 96.257 4.887 8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 77 97.066 4.773 9.734 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.664 6.607 8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 77 97.705 6.775 7.509 1.00 0.00 H new ATOM 1223 N LEU A 78 100.644 4.512 8.516 1.00 0.00 N ATOM 1224 CA LEU A 78 101.862 4.459 9.385 1.00 0.00 C ATOM 1225 C LEU A 78 102.618 5.791 9.333 1.00 0.00 C ATOM 1226 O LEU A 78 102.407 6.604 8.455 1.00 0.00 O ATOM 1227 CB LEU A 78 102.790 3.338 8.907 1.00 0.00 C ATOM 1228 CG LEU A 78 101.964 2.151 8.400 1.00 0.00 C ATOM 1229 CD1 LEU A 78 101.723 2.295 6.895 1.00 0.00 C ATOM 1230 CD2 LEU A 78 102.726 0.850 8.666 1.00 0.00 C ATOM 0 H LEU A 78 100.786 4.905 7.585 1.00 0.00 H new ATOM 0 HA LEU A 78 101.546 4.268 10.410 1.00 0.00 H new ATOM 0 HB2 LEU A 78 103.438 3.706 8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 78 103.437 3.018 9.724 1.00 0.00 H new ATOM 0 HG LEU A 78 101.007 2.130 8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 78 101.135 1.449 6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 78 101.182 3.221 6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 78 102.680 2.318 6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 78 102.140 0.005 8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 78 103.683 0.876 8.145 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.899 0.742 9.737 1.00 0.00 H new ATOM 1242 N ARG A 79 103.507 6.015 10.273 1.00 0.00 N ATOM 1243 CA ARG A 79 104.285 7.291 10.284 1.00 0.00 C ATOM 1244 C ARG A 79 105.699 7.042 10.819 1.00 0.00 C ATOM 1245 O ARG A 79 105.898 6.266 11.731 1.00 0.00 O ATOM 1246 CB ARG A 79 103.572 8.318 11.174 1.00 0.00 C ATOM 1247 CG ARG A 79 103.814 7.986 12.650 1.00 0.00 C ATOM 1248 CD ARG A 79 103.066 8.992 13.526 1.00 0.00 C ATOM 1249 NE ARG A 79 103.158 8.573 14.953 1.00 0.00 N ATOM 1250 CZ ARG A 79 104.207 8.891 15.661 1.00 0.00 C ATOM 1251 NH1 ARG A 79 104.289 8.522 16.910 1.00 0.00 N ATOM 1252 NH2 ARG A 79 105.176 9.576 15.119 1.00 0.00 N ATOM 0 H ARG A 79 103.726 5.369 11.031 1.00 0.00 H new ATOM 0 HA ARG A 79 104.354 7.674 9.266 1.00 0.00 H new ATOM 0 HB2 ARG A 79 103.939 9.320 10.953 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.503 8.316 10.962 1.00 0.00 H new ATOM 0 HG2 ARG A 79 103.473 6.974 12.867 1.00 0.00 H new ATOM 0 HG3 ARG A 79 104.881 8.017 12.871 1.00 0.00 H new ATOM 0 HD2 ARG A 79 103.492 9.987 13.400 1.00 0.00 H new ATOM 0 HD3 ARG A 79 102.022 9.051 13.220 1.00 0.00 H new ATOM 0 HE ARG A 79 102.400 8.037 15.377 1.00 0.00 H new ATOM 0 HH11 ARG A 79 103.533 7.984 17.334 1.00 0.00 H new ATOM 0 HH12 ARG A 79 105.109 8.771 17.463 1.00 0.00 H new ATOM 0 HH21 ARG A 79 105.113 9.863 14.142 1.00 0.00 H new ATOM 0 HH22 ARG A 79 105.996 9.825 15.672 1.00 0.00 H new ATOM 1266 N GLY A 80 106.686 7.700 10.259 1.00 0.00 N ATOM 1267 CA GLY A 80 108.071 7.508 10.734 1.00 0.00 C ATOM 1268 C GLY A 80 108.999 8.256 9.789 1.00 0.00 C ATOM 1269 O GLY A 80 108.916 9.458 9.655 1.00 0.00 O ATOM 0 H GLY A 80 106.580 8.362 9.491 1.00 0.00 H new ATOM 0 HA2 GLY A 80 108.180 7.883 11.752 1.00 0.00 H new ATOM 0 HA3 GLY A 80 108.323 6.448 10.756 1.00 0.00 H new ATOM 1273 N THR A 81 109.865 7.560 9.111 1.00 0.00 N ATOM 1274 CA THR A 81 110.787 8.255 8.162 1.00 0.00 C ATOM 1275 C THR A 81 111.831 7.280 7.623 1.00 0.00 C ATOM 1276 O THR A 81 112.134 6.272 8.229 1.00 0.00 O ATOM 1277 CB THR A 81 111.509 9.404 8.885 1.00 0.00 C ATOM 1278 OG1 THR A 81 111.169 9.387 10.263 1.00 0.00 O ATOM 1279 CG2 THR A 81 111.097 10.743 8.273 1.00 0.00 C ATOM 0 H THR A 81 109.977 6.548 9.169 1.00 0.00 H new ATOM 0 HA THR A 81 110.196 8.647 7.334 1.00 0.00 H new ATOM 0 HB THR A 81 112.586 9.276 8.775 1.00 0.00 H new ATOM 0 HG1 THR A 81 110.344 9.897 10.403 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.612 11.553 8.790 1.00 0.00 H new ATOM 0 HG22 THR A 81 111.365 10.758 7.217 1.00 0.00 H new ATOM 0 HG23 THR A 81 110.020 10.874 8.376 1.00 0.00 H new ATOM 1287 N TRP A 82 112.399 7.593 6.490 1.00 0.00 N ATOM 1288 CA TRP A 82 113.445 6.706 5.910 1.00 0.00 C ATOM 1289 C TRP A 82 114.816 7.316 6.182 1.00 0.00 C ATOM 1290 O TRP A 82 114.989 8.519 6.152 1.00 0.00 O ATOM 1291 CB TRP A 82 113.249 6.572 4.398 1.00 0.00 C ATOM 1292 CG TRP A 82 111.801 6.405 4.092 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.870 7.370 4.230 1.00 0.00 C ATOM 1294 CD2 TRP A 82 111.104 5.227 3.598 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.640 6.864 3.856 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.732 5.543 3.457 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.526 3.928 3.263 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.809 4.601 2.997 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 110.602 2.978 2.801 1.00 0.00 C ATOM 1300 CH2 TRP A 82 109.247 3.313 2.669 1.00 0.00 C ATOM 0 H TRP A 82 112.183 8.425 5.941 1.00 0.00 H new ATOM 0 HA TRP A 82 113.371 5.719 6.367 1.00 0.00 H new ATOM 0 HB2 TRP A 82 113.638 7.455 3.892 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.811 5.716 4.023 1.00 0.00 H new ATOM 0 HD1 TRP A 82 111.056 8.376 4.577 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.771 7.399 3.872 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.567 3.660 3.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.767 4.864 2.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 110.937 1.983 2.546 1.00 0.00 H new ATOM 0 HH2 TRP A 82 108.541 2.577 2.314 1.00 0.00 H new ATOM 1311 N SER A 83 115.795 6.500 6.451 1.00 0.00 N ATOM 1312 CA SER A 83 117.153 7.041 6.729 1.00 0.00 C ATOM 1313 C SER A 83 118.181 6.131 6.072 1.00 0.00 C ATOM 1314 O SER A 83 117.918 4.982 5.813 1.00 0.00 O ATOM 1315 CB SER A 83 117.391 7.080 8.239 1.00 0.00 C ATOM 1316 OG SER A 83 118.781 6.925 8.499 1.00 0.00 O ATOM 0 H SER A 83 115.714 5.484 6.490 1.00 0.00 H new ATOM 0 HA SER A 83 117.241 8.052 6.331 1.00 0.00 H new ATOM 0 HB2 SER A 83 117.035 8.024 8.651 1.00 0.00 H new ATOM 0 HB3 SER A 83 116.827 6.286 8.729 1.00 0.00 H new ATOM 0 HG SER A 83 118.938 6.951 9.466 1.00 0.00 H new ATOM 1322 N LEU A 84 119.349 6.616 5.785 1.00 0.00 N ATOM 1323 CA LEU A 84 120.350 5.734 5.155 1.00 0.00 C ATOM 1324 C LEU A 84 121.228 5.144 6.262 1.00 0.00 C ATOM 1325 O LEU A 84 121.764 5.853 7.090 1.00 0.00 O ATOM 1326 CB LEU A 84 121.186 6.546 4.157 1.00 0.00 C ATOM 1327 CG LEU A 84 122.666 6.199 4.304 1.00 0.00 C ATOM 1328 CD1 LEU A 84 122.905 4.758 3.846 1.00 0.00 C ATOM 1329 CD2 LEU A 84 123.503 7.153 3.447 1.00 0.00 C ATOM 0 H LEU A 84 119.650 7.575 5.958 1.00 0.00 H new ATOM 0 HA LEU A 84 119.869 4.923 4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 84 120.855 6.337 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 84 121.036 7.612 4.328 1.00 0.00 H new ATOM 0 HG LEU A 84 122.958 6.299 5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.962 4.513 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.312 4.079 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 84 122.612 4.655 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.559 6.905 3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 84 123.210 7.055 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.337 8.179 3.776 1.00 0.00 H new ATOM 1341 N GLU A 85 121.378 3.851 6.281 1.00 0.00 N ATOM 1342 CA GLU A 85 122.220 3.209 7.322 1.00 0.00 C ATOM 1343 C GLU A 85 123.137 2.199 6.643 1.00 0.00 C ATOM 1344 O GLU A 85 122.690 1.330 5.922 1.00 0.00 O ATOM 1345 CB GLU A 85 121.329 2.506 8.354 1.00 0.00 C ATOM 1346 CG GLU A 85 120.933 1.117 7.845 1.00 0.00 C ATOM 1347 CD GLU A 85 119.854 0.531 8.758 1.00 0.00 C ATOM 1348 OE1 GLU A 85 119.294 -0.491 8.401 1.00 0.00 O ATOM 1349 OE2 GLU A 85 119.607 1.117 9.799 1.00 0.00 O ATOM 0 H GLU A 85 120.950 3.208 5.615 1.00 0.00 H new ATOM 0 HA GLU A 85 122.816 3.961 7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 85 121.858 2.417 9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 85 120.436 3.102 8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 85 120.563 1.184 6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 85 121.804 0.462 7.826 1.00 0.00 H new ATOM 1356 N GLY A 86 124.416 2.312 6.844 1.00 0.00 N ATOM 1357 CA GLY A 86 125.344 1.362 6.181 1.00 0.00 C ATOM 1358 C GLY A 86 125.207 1.526 4.667 1.00 0.00 C ATOM 1359 O GLY A 86 125.614 2.523 4.105 1.00 0.00 O ATOM 0 H GLY A 86 124.857 3.017 7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 86 126.371 1.556 6.492 1.00 0.00 H new ATOM 0 HA3 GLY A 86 125.111 0.338 6.474 1.00 0.00 H new ATOM 1363 N ASN A 87 124.638 0.558 4.000 1.00 0.00 N ATOM 1364 CA ASN A 87 124.480 0.668 2.521 1.00 0.00 C ATOM 1365 C ASN A 87 123.016 0.466 2.113 1.00 0.00 C ATOM 1366 O ASN A 87 122.737 -0.091 1.070 1.00 0.00 O ATOM 1367 CB ASN A 87 125.346 -0.394 1.839 1.00 0.00 C ATOM 1368 CG ASN A 87 125.291 -1.693 2.644 1.00 0.00 C ATOM 1369 OD1 ASN A 87 126.059 -1.884 3.566 1.00 0.00 O ATOM 1370 ND2 ASN A 87 124.407 -2.601 2.333 1.00 0.00 N ATOM 0 H ASN A 87 124.277 -0.302 4.414 1.00 0.00 H new ATOM 0 HA ASN A 87 124.794 1.665 2.211 1.00 0.00 H new ATOM 0 HB2 ASN A 87 124.993 -0.569 0.823 1.00 0.00 H new ATOM 0 HB3 ASN A 87 126.376 -0.045 1.763 1.00 0.00 H new ATOM 0 HD21 ASN A 87 124.361 -3.471 2.864 1.00 0.00 H new ATOM 0 HD22 ASN A 87 123.762 -2.441 1.559 1.00 0.00 H new ATOM 1377 N LYS A 88 122.071 0.896 2.910 1.00 0.00 N ATOM 1378 CA LYS A 88 120.650 0.692 2.516 1.00 0.00 C ATOM 1379 C LYS A 88 119.776 1.831 3.044 1.00 0.00 C ATOM 1380 O LYS A 88 120.144 2.540 3.959 1.00 0.00 O ATOM 1381 CB LYS A 88 120.157 -0.638 3.087 1.00 0.00 C ATOM 1382 CG LYS A 88 120.424 -0.689 4.597 1.00 0.00 C ATOM 1383 CD LYS A 88 121.095 -2.017 4.958 1.00 0.00 C ATOM 1384 CE LYS A 88 121.515 -1.995 6.429 1.00 0.00 C ATOM 1385 NZ LYS A 88 121.892 -3.371 6.858 1.00 0.00 N ATOM 0 H LYS A 88 122.220 1.371 3.800 1.00 0.00 H new ATOM 0 HA LYS A 88 120.583 0.679 1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 88 119.091 -0.754 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 88 120.663 -1.466 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 88 121.062 0.144 4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 88 119.488 -0.583 5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 88 120.408 -2.844 4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 88 121.966 -2.181 4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 88 122.356 -1.316 6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 88 120.698 -1.621 7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 122.178 -3.357 7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 121.078 -4.007 6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 122.684 -3.711 6.276 1.00 0.00 H new ATOM 1399 N LEU A 89 118.612 2.002 2.472 1.00 0.00 N ATOM 1400 CA LEU A 89 117.699 3.083 2.936 1.00 0.00 C ATOM 1401 C LEU A 89 116.653 2.474 3.868 1.00 0.00 C ATOM 1402 O LEU A 89 115.796 1.723 3.448 1.00 0.00 O ATOM 1403 CB LEU A 89 117.004 3.721 1.730 1.00 0.00 C ATOM 1404 CG LEU A 89 117.862 4.865 1.188 1.00 0.00 C ATOM 1405 CD1 LEU A 89 117.531 5.098 -0.287 1.00 0.00 C ATOM 1406 CD2 LEU A 89 117.571 6.141 1.983 1.00 0.00 C ATOM 0 H LEU A 89 118.256 1.437 1.701 1.00 0.00 H new ATOM 0 HA LEU A 89 118.267 3.848 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 89 116.844 2.974 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 89 116.022 4.095 2.020 1.00 0.00 H new ATOM 0 HG LEU A 89 118.916 4.606 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 89 118.143 5.913 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 89 117.737 4.190 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 89 116.477 5.357 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 89 118.182 6.957 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 89 116.517 6.399 1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 89 117.807 5.976 3.034 1.00 0.00 H new ATOM 1418 N ILE A 90 116.721 2.779 5.131 1.00 0.00 N ATOM 1419 CA ILE A 90 115.739 2.201 6.086 1.00 0.00 C ATOM 1420 C ILE A 90 114.412 2.947 6.005 1.00 0.00 C ATOM 1421 O ILE A 90 114.319 4.029 5.464 1.00 0.00 O ATOM 1422 CB ILE A 90 116.273 2.264 7.509 1.00 0.00 C ATOM 1423 CG1 ILE A 90 117.190 3.464 7.662 1.00 0.00 C ATOM 1424 CG2 ILE A 90 117.059 0.990 7.819 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.526 3.625 9.133 1.00 0.00 C ATOM 0 H ILE A 90 117.414 3.403 5.544 1.00 0.00 H new ATOM 0 HA ILE A 90 115.579 1.158 5.814 1.00 0.00 H new ATOM 0 HB ILE A 90 115.435 2.356 8.199 1.00 0.00 H new ATOM 0 HG12 ILE A 90 118.100 3.323 7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.704 4.363 7.283 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.441 1.037 8.839 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.404 0.125 7.716 1.00 0.00 H new ATOM 0 HG23 ILE A 90 117.893 0.899 7.123 1.00 0.00 H new ATOM 0 HD11 ILE A 90 118.185 4.483 9.264 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.609 3.782 9.701 1.00 0.00 H new ATOM 0 HD13 ILE A 90 118.026 2.726 9.493 1.00 0.00 H new ATOM 1437 N GLY A 91 113.389 2.355 6.550 1.00 0.00 N ATOM 1438 CA GLY A 91 112.037 2.977 6.538 1.00 0.00 C ATOM 1439 C GLY A 91 111.312 2.587 7.823 1.00 0.00 C ATOM 1440 O GLY A 91 110.718 1.532 7.921 1.00 0.00 O ATOM 0 H GLY A 91 113.434 1.447 7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 91 112.120 4.061 6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.473 2.640 5.668 1.00 0.00 H new ATOM 1444 N LYS A 92 111.366 3.422 8.813 1.00 0.00 N ATOM 1445 CA LYS A 92 110.692 3.098 10.098 1.00 0.00 C ATOM 1446 C LYS A 92 109.242 3.569 10.038 1.00 0.00 C ATOM 1447 O LYS A 92 108.966 4.744 10.130 1.00 0.00 O ATOM 1448 CB LYS A 92 111.414 3.805 11.248 1.00 0.00 C ATOM 1449 CG LYS A 92 112.528 2.903 11.783 1.00 0.00 C ATOM 1450 CD LYS A 92 113.242 3.602 12.942 1.00 0.00 C ATOM 1451 CE LYS A 92 113.883 2.555 13.854 1.00 0.00 C ATOM 1452 NZ LYS A 92 114.778 3.232 14.835 1.00 0.00 N ATOM 0 H LYS A 92 111.849 4.320 8.791 1.00 0.00 H new ATOM 0 HA LYS A 92 110.720 2.021 10.264 1.00 0.00 H new ATOM 0 HB2 LYS A 92 111.832 4.751 10.902 1.00 0.00 H new ATOM 0 HB3 LYS A 92 110.708 4.040 12.045 1.00 0.00 H new ATOM 0 HG2 LYS A 92 112.111 1.954 12.119 1.00 0.00 H new ATOM 0 HG3 LYS A 92 113.239 2.676 10.989 1.00 0.00 H new ATOM 0 HD2 LYS A 92 114.004 4.280 12.557 1.00 0.00 H new ATOM 0 HD3 LYS A 92 112.533 4.207 13.508 1.00 0.00 H new ATOM 0 HE2 LYS A 92 113.111 1.992 14.378 1.00 0.00 H new ATOM 0 HE3 LYS A 92 114.452 1.839 13.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 115.214 2.520 15.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 115.522 3.750 14.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 114.223 3.898 15.409 1.00 0.00 H new ATOM 1466 N PHE A 93 108.318 2.659 9.877 1.00 0.00 N ATOM 1467 CA PHE A 93 106.881 3.047 9.803 1.00 0.00 C ATOM 1468 C PHE A 93 106.112 2.408 10.955 1.00 0.00 C ATOM 1469 O PHE A 93 106.162 1.214 11.172 1.00 0.00 O ATOM 1470 CB PHE A 93 106.292 2.574 8.468 1.00 0.00 C ATOM 1471 CG PHE A 93 106.524 3.607 7.380 1.00 0.00 C ATOM 1472 CD1 PHE A 93 107.173 4.819 7.668 1.00 0.00 C ATOM 1473 CD2 PHE A 93 106.086 3.347 6.076 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.380 5.761 6.654 1.00 0.00 C ATOM 1475 CE2 PHE A 93 106.294 4.292 5.063 1.00 0.00 C ATOM 1476 CZ PHE A 93 106.941 5.498 5.352 1.00 0.00 C ATOM 0 H PHE A 93 108.499 1.659 9.793 1.00 0.00 H new ATOM 0 HA PHE A 93 106.797 4.131 9.875 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.748 1.627 8.180 1.00 0.00 H new ATOM 0 HB3 PHE A 93 105.223 2.392 8.581 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.512 5.024 8.673 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.587 2.416 5.851 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.879 6.692 6.877 1.00 0.00 H new ATOM 0 HE2 PHE A 93 105.955 4.089 4.058 1.00 0.00 H new ATOM 0 HZ PHE A 93 107.102 6.226 4.570 1.00 0.00 H new ATOM 1486 N LYS A 94 105.398 3.210 11.691 1.00 0.00 N ATOM 1487 CA LYS A 94 104.609 2.681 12.836 1.00 0.00 C ATOM 1488 C LYS A 94 103.118 2.835 12.537 1.00 0.00 C ATOM 1489 O LYS A 94 102.629 3.926 12.325 1.00 0.00 O ATOM 1490 CB LYS A 94 104.955 3.462 14.104 1.00 0.00 C ATOM 1491 CG LYS A 94 106.235 2.897 14.721 1.00 0.00 C ATOM 1492 CD LYS A 94 106.729 3.838 15.821 1.00 0.00 C ATOM 1493 CE LYS A 94 108.072 3.340 16.357 1.00 0.00 C ATOM 1494 NZ LYS A 94 109.159 3.726 15.413 1.00 0.00 N ATOM 0 H LYS A 94 105.326 4.217 11.547 1.00 0.00 H new ATOM 0 HA LYS A 94 104.847 1.628 12.984 1.00 0.00 H new ATOM 0 HB2 LYS A 94 105.088 4.518 13.868 1.00 0.00 H new ATOM 0 HB3 LYS A 94 104.135 3.396 14.819 1.00 0.00 H new ATOM 0 HG2 LYS A 94 106.046 1.906 15.133 1.00 0.00 H new ATOM 0 HG3 LYS A 94 107.001 2.782 13.954 1.00 0.00 H new ATOM 0 HD2 LYS A 94 106.835 4.849 15.428 1.00 0.00 H new ATOM 0 HD3 LYS A 94 105.998 3.885 16.629 1.00 0.00 H new ATOM 0 HE2 LYS A 94 108.263 3.766 17.342 1.00 0.00 H new ATOM 0 HE3 LYS A 94 108.048 2.257 16.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 109.831 2.938 15.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 108.749 3.947 14.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 109.656 4.563 15.779 1.00 0.00 H new ATOM 1508 N ARG A 95 102.391 1.752 12.517 1.00 0.00 N ATOM 1509 CA ARG A 95 100.931 1.839 12.228 1.00 0.00 C ATOM 1510 C ARG A 95 100.307 2.940 13.085 1.00 0.00 C ATOM 1511 O ARG A 95 100.270 2.854 14.297 1.00 0.00 O ATOM 1512 CB ARG A 95 100.259 0.502 12.554 1.00 0.00 C ATOM 1513 CG ARG A 95 100.389 -0.446 11.359 1.00 0.00 C ATOM 1514 CD ARG A 95 99.449 -1.639 11.551 1.00 0.00 C ATOM 1515 NE ARG A 95 98.042 -1.205 11.323 1.00 0.00 N ATOM 1516 CZ ARG A 95 97.080 -2.088 11.320 1.00 0.00 C ATOM 1517 NH1 ARG A 95 95.847 -1.709 11.119 1.00 0.00 N ATOM 1518 NH2 ARG A 95 97.351 -3.349 11.519 1.00 0.00 N ATOM 0 H ARG A 95 102.744 0.811 12.688 1.00 0.00 H new ATOM 0 HA ARG A 95 100.787 2.069 11.172 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.721 0.057 13.435 1.00 0.00 H new ATOM 0 HB3 ARG A 95 99.207 0.661 12.792 1.00 0.00 H new ATOM 0 HG2 ARG A 95 100.144 0.079 10.436 1.00 0.00 H new ATOM 0 HG3 ARG A 95 101.419 -0.792 11.265 1.00 0.00 H new ATOM 0 HD2 ARG A 95 99.711 -2.438 10.857 1.00 0.00 H new ATOM 0 HD3 ARG A 95 99.558 -2.043 12.558 1.00 0.00 H new ATOM 0 HE ARG A 95 97.830 -0.219 11.169 1.00 0.00 H new ATOM 0 HH11 ARG A 95 95.635 -0.723 10.964 1.00 0.00 H new ATOM 0 HH12 ARG A 95 95.095 -2.399 11.117 1.00 0.00 H new ATOM 0 HH21 ARG A 95 98.314 -3.645 11.677 1.00 0.00 H new ATOM 0 HH22 ARG A 95 96.600 -4.039 11.517 1.00 0.00 H new ATOM 1532 N THR A 96 99.815 3.975 12.464 1.00 0.00 N ATOM 1533 CA THR A 96 99.191 5.082 13.238 1.00 0.00 C ATOM 1534 C THR A 96 97.774 4.690 13.611 1.00 0.00 C ATOM 1535 O THR A 96 97.103 5.334 14.394 1.00 0.00 O ATOM 1536 CB THR A 96 99.162 6.341 12.374 1.00 0.00 C ATOM 1537 OG1 THR A 96 99.477 5.995 11.032 1.00 0.00 O ATOM 1538 CG2 THR A 96 100.184 7.345 12.894 1.00 0.00 C ATOM 0 H THR A 96 99.818 4.102 11.452 1.00 0.00 H new ATOM 0 HA THR A 96 99.766 5.274 14.144 1.00 0.00 H new ATOM 0 HB THR A 96 98.168 6.787 12.415 1.00 0.00 H new ATOM 0 HG1 THR A 96 99.988 6.721 10.618 1.00 0.00 H new ATOM 0 HG21 THR A 96 100.160 8.242 12.275 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.944 7.608 13.924 1.00 0.00 H new ATOM 0 HG23 THR A 96 101.180 6.904 12.855 1.00 0.00 H new ATOM 1546 N ASP A 97 97.334 3.635 13.036 1.00 0.00 N ATOM 1547 CA ASP A 97 95.958 3.133 13.301 1.00 0.00 C ATOM 1548 C ASP A 97 95.988 2.120 14.447 1.00 0.00 C ATOM 1549 O ASP A 97 95.013 1.937 15.149 1.00 0.00 O ATOM 1550 CB ASP A 97 95.410 2.460 12.041 1.00 0.00 C ATOM 1551 CG ASP A 97 93.894 2.302 12.165 1.00 0.00 C ATOM 1552 OD1 ASP A 97 93.186 2.984 11.443 1.00 0.00 O ATOM 1553 OD2 ASP A 97 93.466 1.500 12.980 1.00 0.00 O ATOM 0 H ASP A 97 97.872 3.075 12.375 1.00 0.00 H new ATOM 0 HA ASP A 97 95.317 3.970 13.577 1.00 0.00 H new ATOM 0 HB2 ASP A 97 95.653 3.057 11.162 1.00 0.00 H new ATOM 0 HB3 ASP A 97 95.878 1.485 11.904 1.00 0.00 H new ATOM 1558 N ASN A 98 97.098 1.458 14.645 1.00 0.00 N ATOM 1559 CA ASN A 98 97.183 0.460 15.746 1.00 0.00 C ATOM 1560 C ASN A 98 98.464 0.694 16.546 1.00 0.00 C ATOM 1561 O ASN A 98 98.790 -0.053 17.447 1.00 0.00 O ATOM 1562 CB ASN A 98 97.199 -0.952 15.156 1.00 0.00 C ATOM 1563 CG ASN A 98 96.837 -1.964 16.245 1.00 0.00 C ATOM 1564 OD1 ASN A 98 97.000 -1.695 17.419 1.00 0.00 O ATOM 1565 ND2 ASN A 98 96.349 -3.125 15.903 1.00 0.00 N ATOM 0 H ASN A 98 97.947 1.567 14.091 1.00 0.00 H new ATOM 0 HA ASN A 98 96.320 0.568 16.402 1.00 0.00 H new ATOM 0 HB2 ASN A 98 96.490 -1.021 14.331 1.00 0.00 H new ATOM 0 HB3 ASN A 98 98.185 -1.177 14.749 1.00 0.00 H new ATOM 0 HD21 ASN A 98 96.104 -3.807 16.621 1.00 0.00 H new ATOM 0 HD22 ASN A 98 96.212 -3.351 14.918 1.00 0.00 H new ATOM 1572 N GLY A 99 99.194 1.726 16.226 1.00 0.00 N ATOM 1573 CA GLY A 99 100.452 2.005 16.970 1.00 0.00 C ATOM 1574 C GLY A 99 101.296 0.733 17.034 1.00 0.00 C ATOM 1575 O GLY A 99 101.823 0.378 18.070 1.00 0.00 O ATOM 0 H GLY A 99 98.973 2.388 15.482 1.00 0.00 H new ATOM 0 HA2 GLY A 99 101.010 2.801 16.477 1.00 0.00 H new ATOM 0 HA3 GLY A 99 100.222 2.353 17.977 1.00 0.00 H new ATOM 1579 N ASN A 100 101.432 0.044 15.935 1.00 0.00 N ATOM 1580 CA ASN A 100 102.241 -1.195 15.929 1.00 0.00 C ATOM 1581 C ASN A 100 103.686 -0.840 15.636 1.00 0.00 C ATOM 1582 O ASN A 100 104.312 -0.063 16.330 1.00 0.00 O ATOM 1583 CB ASN A 100 101.718 -2.139 14.844 1.00 0.00 C ATOM 1584 CG ASN A 100 102.337 -3.525 15.030 1.00 0.00 C ATOM 1585 OD1 ASN A 100 103.542 -3.658 15.124 1.00 0.00 O ATOM 1586 ND2 ASN A 100 101.559 -4.571 15.089 1.00 0.00 N ATOM 0 H ASN A 100 101.013 0.292 15.039 1.00 0.00 H new ATOM 0 HA ASN A 100 102.171 -1.686 16.900 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.631 -2.205 14.897 1.00 0.00 H new ATOM 0 HB3 ASN A 100 101.966 -1.748 13.857 1.00 0.00 H new ATOM 0 HD21 ASN A 100 101.962 -5.500 15.214 1.00 0.00 H new ATOM 0 HD22 ASN A 100 100.548 -4.460 15.010 1.00 0.00 H new ATOM 1593 N GLU A 101 104.208 -1.413 14.612 1.00 0.00 N ATOM 1594 CA GLU A 101 105.619 -1.140 14.234 1.00 0.00 C ATOM 1595 C GLU A 101 105.961 -1.850 12.920 1.00 0.00 C ATOM 1596 O GLU A 101 105.594 -2.987 12.702 1.00 0.00 O ATOM 1597 CB GLU A 101 106.539 -1.645 15.349 1.00 0.00 C ATOM 1598 CG GLU A 101 106.894 -3.115 15.110 1.00 0.00 C ATOM 1599 CD GLU A 101 107.492 -3.710 16.386 1.00 0.00 C ATOM 1600 OE1 GLU A 101 108.364 -3.079 16.959 1.00 0.00 O ATOM 1601 OE2 GLU A 101 107.066 -4.788 16.768 1.00 0.00 O ATOM 0 H GLU A 101 103.719 -2.070 14.005 1.00 0.00 H new ATOM 0 HA GLU A 101 105.757 -0.067 14.097 1.00 0.00 H new ATOM 0 HB2 GLU A 101 107.448 -1.044 15.382 1.00 0.00 H new ATOM 0 HB3 GLU A 101 106.048 -1.534 16.316 1.00 0.00 H new ATOM 0 HG2 GLU A 101 106.004 -3.672 14.819 1.00 0.00 H new ATOM 0 HG3 GLU A 101 107.606 -3.199 14.289 1.00 0.00 H new ATOM 1608 N LEU A 102 106.677 -1.189 12.053 1.00 0.00 N ATOM 1609 CA LEU A 102 107.066 -1.819 10.763 1.00 0.00 C ATOM 1610 C LEU A 102 108.496 -1.400 10.431 1.00 0.00 C ATOM 1611 O LEU A 102 108.789 -0.231 10.277 1.00 0.00 O ATOM 1612 CB LEU A 102 106.120 -1.359 9.649 1.00 0.00 C ATOM 1613 CG LEU A 102 106.422 -2.140 8.363 1.00 0.00 C ATOM 1614 CD1 LEU A 102 105.175 -2.171 7.475 1.00 0.00 C ATOM 1615 CD2 LEU A 102 107.579 -1.475 7.600 1.00 0.00 C ATOM 0 H LEU A 102 107.011 -0.234 12.185 1.00 0.00 H new ATOM 0 HA LEU A 102 107.003 -2.904 10.847 1.00 0.00 H new ATOM 0 HB2 LEU A 102 105.084 -1.518 9.949 1.00 0.00 H new ATOM 0 HB3 LEU A 102 106.240 -0.290 9.474 1.00 0.00 H new ATOM 0 HG LEU A 102 106.708 -3.158 8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 102 105.392 -2.726 6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 102 104.359 -2.657 8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 102 104.885 -1.152 7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 102 107.785 -2.037 6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 102 107.304 -0.453 7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 102 108.470 -1.463 8.228 1.00 0.00 H new ATOM 1627 N ASN A 103 109.394 -2.342 10.323 1.00 0.00 N ATOM 1628 CA ASN A 103 110.806 -1.986 10.004 1.00 0.00 C ATOM 1629 C ASN A 103 111.121 -2.458 8.591 1.00 0.00 C ATOM 1630 O ASN A 103 111.146 -3.640 8.317 1.00 0.00 O ATOM 1631 CB ASN A 103 111.750 -2.662 11.002 1.00 0.00 C ATOM 1632 CG ASN A 103 111.537 -2.064 12.394 1.00 0.00 C ATOM 1633 OD1 ASN A 103 111.144 -0.824 12.505 1.00 0.00 O flip ATOM 1634 ND2 ASN A 103 111.728 -2.732 13.391 1.00 0.00 N flip ATOM 0 H ASN A 103 109.212 -3.339 10.441 1.00 0.00 H new ATOM 0 HA ASN A 103 110.941 -0.907 10.072 1.00 0.00 H new ATOM 0 HB2 ASN A 103 111.564 -3.736 11.024 1.00 0.00 H new ATOM 0 HB3 ASN A 103 112.785 -2.524 10.690 1.00 0.00 H new ATOM 0 HD21 ASN A 103 112.035 -3.701 13.305 1.00 0.00 H new ATOM 0 HD22 ASN A 103 111.581 -2.324 14.314 1.00 0.00 H new ATOM 1641 N THR A 104 111.330 -1.548 7.680 1.00 0.00 N ATOM 1642 CA THR A 104 111.598 -1.960 6.278 1.00 0.00 C ATOM 1643 C THR A 104 112.932 -1.416 5.777 1.00 0.00 C ATOM 1644 O THR A 104 113.607 -0.651 6.437 1.00 0.00 O ATOM 1645 CB THR A 104 110.480 -1.413 5.393 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.825 -1.594 4.026 1.00 0.00 O ATOM 1647 CG2 THR A 104 110.294 0.077 5.685 1.00 0.00 C ATOM 0 H THR A 104 111.326 -0.542 7.847 1.00 0.00 H new ATOM 0 HA THR A 104 111.640 -3.049 6.239 1.00 0.00 H new ATOM 0 HB THR A 104 109.552 -1.945 5.601 1.00 0.00 H new ATOM 0 HG1 THR A 104 110.925 -2.551 3.838 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.497 0.474 5.056 1.00 0.00 H new ATOM 0 HG22 THR A 104 110.030 0.212 6.734 1.00 0.00 H new ATOM 0 HG23 THR A 104 111.222 0.608 5.473 1.00 0.00 H new ATOM 1655 N VAL A 105 113.297 -1.814 4.588 1.00 0.00 N ATOM 1656 CA VAL A 105 114.570 -1.346 3.980 1.00 0.00 C ATOM 1657 C VAL A 105 114.345 -1.147 2.480 1.00 0.00 C ATOM 1658 O VAL A 105 113.537 -1.823 1.876 1.00 0.00 O ATOM 1659 CB VAL A 105 115.660 -2.393 4.205 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.999 -1.851 3.704 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.765 -2.707 5.699 1.00 0.00 C ATOM 0 H VAL A 105 112.756 -2.454 4.006 1.00 0.00 H new ATOM 0 HA VAL A 105 114.883 -0.408 4.438 1.00 0.00 H new ATOM 0 HB VAL A 105 115.408 -3.302 3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.777 -2.598 3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.925 -1.626 2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 105 117.251 -0.942 4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.542 -3.454 5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 105 116.017 -1.798 6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.811 -3.093 6.058 1.00 0.00 H new ATOM 1671 N ARG A 106 115.038 -0.222 1.871 1.00 0.00 N ATOM 1672 CA ARG A 106 114.840 0.011 0.411 1.00 0.00 C ATOM 1673 C ARG A 106 116.180 -0.066 -0.320 1.00 0.00 C ATOM 1674 O ARG A 106 117.159 0.530 0.086 1.00 0.00 O ATOM 1675 CB ARG A 106 114.224 1.396 0.198 1.00 0.00 C ATOM 1676 CG ARG A 106 114.305 1.770 -1.283 1.00 0.00 C ATOM 1677 CD ARG A 106 113.304 2.886 -1.584 1.00 0.00 C ATOM 1678 NE ARG A 106 113.391 3.929 -0.524 1.00 0.00 N ATOM 1679 CZ ARG A 106 112.438 4.813 -0.399 1.00 0.00 C ATOM 1680 NH1 ARG A 106 112.515 5.726 0.531 1.00 0.00 N ATOM 1681 NH2 ARG A 106 111.411 4.784 -1.202 1.00 0.00 N ATOM 0 H ARG A 106 115.729 0.380 2.319 1.00 0.00 H new ATOM 0 HA ARG A 106 114.174 -0.755 0.014 1.00 0.00 H new ATOM 0 HB2 ARG A 106 113.185 1.398 0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 106 114.751 2.136 0.800 1.00 0.00 H new ATOM 0 HG2 ARG A 106 115.315 2.096 -1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 106 114.090 0.898 -1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 106 113.514 3.325 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 106 112.293 2.481 -1.628 1.00 0.00 H new ATOM 0 HE ARG A 106 114.195 3.953 0.104 1.00 0.00 H new ATOM 0 HH11 ARG A 106 113.319 5.748 1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 106 111.771 6.417 0.630 1.00 0.00 H new ATOM 0 HH21 ARG A 106 111.352 4.070 -1.928 1.00 0.00 H new ATOM 0 HH22 ARG A 106 110.667 5.475 -1.104 1.00 0.00 H new ATOM 1695 N GLU A 107 116.225 -0.792 -1.403 1.00 0.00 N ATOM 1696 CA GLU A 107 117.492 -0.910 -2.179 1.00 0.00 C ATOM 1697 C GLU A 107 117.171 -0.747 -3.665 1.00 0.00 C ATOM 1698 O GLU A 107 116.052 -0.952 -4.088 1.00 0.00 O ATOM 1699 CB GLU A 107 118.118 -2.284 -1.935 1.00 0.00 C ATOM 1700 CG GLU A 107 118.967 -2.238 -0.663 1.00 0.00 C ATOM 1701 CD GLU A 107 119.687 -3.576 -0.481 1.00 0.00 C ATOM 1702 OE1 GLU A 107 119.733 -4.336 -1.435 1.00 0.00 O ATOM 1703 OE2 GLU A 107 120.182 -3.817 0.608 1.00 0.00 O ATOM 0 H GLU A 107 115.435 -1.311 -1.786 1.00 0.00 H new ATOM 0 HA GLU A 107 118.196 -0.140 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.338 -3.039 -1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 107 118.735 -2.571 -2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 107 119.693 -1.428 -0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 107 118.335 -2.032 0.201 1.00 0.00 H new ATOM 1710 N ILE A 108 118.137 -0.378 -4.464 1.00 0.00 N ATOM 1711 CA ILE A 108 117.878 -0.205 -5.906 1.00 0.00 C ATOM 1712 C ILE A 108 118.909 -1.006 -6.684 1.00 0.00 C ATOM 1713 O ILE A 108 119.917 -0.488 -7.124 1.00 0.00 O ATOM 1714 CB ILE A 108 117.999 1.269 -6.260 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.320 2.109 -5.167 1.00 0.00 C ATOM 1716 CG2 ILE A 108 117.321 1.500 -7.601 1.00 0.00 C ATOM 1717 CD1 ILE A 108 116.653 3.340 -5.787 1.00 0.00 C ATOM 0 H ILE A 108 119.095 -0.190 -4.170 1.00 0.00 H new ATOM 0 HA ILE A 108 116.876 -0.554 -6.156 1.00 0.00 H new ATOM 0 HB ILE A 108 119.047 1.562 -6.327 1.00 0.00 H new ATOM 0 HG12 ILE A 108 116.576 1.507 -4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 108 118.057 2.419 -4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 108 117.398 2.553 -7.871 1.00 0.00 H new ATOM 0 HG22 ILE A 108 117.808 0.893 -8.364 1.00 0.00 H new ATOM 0 HG23 ILE A 108 116.270 1.220 -7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 108 116.175 3.928 -5.004 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.406 3.948 -6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 108 115.903 3.022 -6.511 1.00 0.00 H new ATOM 1729 N ILE A 109 118.668 -2.269 -6.846 1.00 0.00 N ATOM 1730 CA ILE A 109 119.638 -3.114 -7.586 1.00 0.00 C ATOM 1731 C ILE A 109 119.726 -2.630 -9.030 1.00 0.00 C ATOM 1732 O ILE A 109 118.979 -3.056 -9.889 1.00 0.00 O ATOM 1733 CB ILE A 109 119.178 -4.572 -7.560 1.00 0.00 C ATOM 1734 CG1 ILE A 109 119.082 -5.048 -6.107 1.00 0.00 C ATOM 1735 CG2 ILE A 109 120.187 -5.440 -8.312 1.00 0.00 C ATOM 1736 CD1 ILE A 109 118.616 -6.505 -6.076 1.00 0.00 C ATOM 0 H ILE A 109 117.841 -2.755 -6.499 1.00 0.00 H new ATOM 0 HA ILE A 109 120.618 -3.041 -7.115 1.00 0.00 H new ATOM 0 HB ILE A 109 118.202 -4.654 -8.038 1.00 0.00 H new ATOM 0 HG12 ILE A 109 120.052 -4.955 -5.618 1.00 0.00 H new ATOM 0 HG13 ILE A 109 118.384 -4.420 -5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 109 119.858 -6.479 -8.293 1.00 0.00 H new ATOM 0 HG22 ILE A 109 120.260 -5.101 -9.345 1.00 0.00 H new ATOM 0 HG23 ILE A 109 121.163 -5.359 -7.834 1.00 0.00 H new ATOM 0 HD11 ILE A 109 118.548 -6.843 -5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 109 117.637 -6.584 -6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 109 119.331 -7.127 -6.615 1.00 0.00 H new ATOM 1748 N GLY A 110 120.644 -1.750 -9.302 1.00 0.00 N ATOM 1749 CA GLY A 110 120.802 -1.236 -10.692 1.00 0.00 C ATOM 1750 C GLY A 110 119.474 -0.668 -11.203 1.00 0.00 C ATOM 1751 O GLY A 110 119.282 0.531 -11.249 1.00 0.00 O ATOM 0 H GLY A 110 121.296 -1.361 -8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.569 -0.462 -10.716 1.00 0.00 H new ATOM 0 HA3 GLY A 110 121.138 -2.039 -11.348 1.00 0.00 H new ATOM 1755 N ASP A 111 118.562 -1.516 -11.603 1.00 0.00 N ATOM 1756 CA ASP A 111 117.258 -1.018 -12.126 1.00 0.00 C ATOM 1757 C ASP A 111 116.097 -1.747 -11.446 1.00 0.00 C ATOM 1758 O ASP A 111 115.038 -1.914 -12.016 1.00 0.00 O ATOM 1759 CB ASP A 111 117.191 -1.251 -13.637 1.00 0.00 C ATOM 1760 CG ASP A 111 118.582 -1.063 -14.244 1.00 0.00 C ATOM 1761 OD1 ASP A 111 119.129 -2.037 -14.736 1.00 0.00 O ATOM 1762 OD2 ASP A 111 119.076 0.051 -14.209 1.00 0.00 O ATOM 0 H ASP A 111 118.665 -2.531 -11.590 1.00 0.00 H new ATOM 0 HA ASP A 111 117.178 0.048 -11.913 1.00 0.00 H new ATOM 0 HB2 ASP A 111 116.825 -2.256 -13.845 1.00 0.00 H new ATOM 0 HB3 ASP A 111 116.487 -0.555 -14.092 1.00 0.00 H new ATOM 1767 N GLU A 112 116.284 -2.174 -10.230 1.00 0.00 N ATOM 1768 CA GLU A 112 115.188 -2.881 -9.511 1.00 0.00 C ATOM 1769 C GLU A 112 115.091 -2.340 -8.084 1.00 0.00 C ATOM 1770 O GLU A 112 116.088 -2.174 -7.411 1.00 0.00 O ATOM 1771 CB GLU A 112 115.478 -4.385 -9.473 1.00 0.00 C ATOM 1772 CG GLU A 112 116.292 -4.780 -10.706 1.00 0.00 C ATOM 1773 CD GLU A 112 116.211 -6.294 -10.908 1.00 0.00 C ATOM 1774 OE1 GLU A 112 115.206 -6.749 -11.431 1.00 0.00 O ATOM 1775 OE2 GLU A 112 117.152 -6.973 -10.534 1.00 0.00 O ATOM 0 H GLU A 112 117.149 -2.064 -9.701 1.00 0.00 H new ATOM 0 HA GLU A 112 114.245 -2.713 -10.031 1.00 0.00 H new ATOM 0 HB2 GLU A 112 116.027 -4.637 -8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 112 114.544 -4.946 -9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 112 115.911 -4.264 -11.587 1.00 0.00 H new ATOM 0 HG3 GLU A 112 117.331 -4.474 -10.582 1.00 0.00 H new ATOM 1782 N LEU A 113 113.904 -2.059 -7.615 1.00 0.00 N ATOM 1783 CA LEU A 113 113.769 -1.523 -6.227 1.00 0.00 C ATOM 1784 C LEU A 113 113.358 -2.641 -5.284 1.00 0.00 C ATOM 1785 O LEU A 113 112.263 -3.153 -5.358 1.00 0.00 O ATOM 1786 CB LEU A 113 112.702 -0.432 -6.188 1.00 0.00 C ATOM 1787 CG LEU A 113 112.877 0.408 -4.922 1.00 0.00 C ATOM 1788 CD1 LEU A 113 113.907 1.509 -5.175 1.00 0.00 C ATOM 1789 CD2 LEU A 113 111.537 1.043 -4.543 1.00 0.00 C ATOM 0 H LEU A 113 113.029 -2.176 -8.127 1.00 0.00 H new ATOM 0 HA LEU A 113 114.729 -1.108 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 113 112.782 0.201 -7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.708 -0.880 -6.206 1.00 0.00 H new ATOM 0 HG LEU A 113 113.222 -0.231 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 113 114.030 2.106 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 113 114.862 1.059 -5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 113 113.564 2.148 -5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 113 111.660 1.642 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.193 1.680 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 113 110.802 0.259 -4.360 1.00 0.00 H new ATOM 1801 N VAL A 114 114.218 -3.014 -4.382 1.00 0.00 N ATOM 1802 CA VAL A 114 113.852 -4.094 -3.430 1.00 0.00 C ATOM 1803 C VAL A 114 113.423 -3.461 -2.109 1.00 0.00 C ATOM 1804 O VAL A 114 114.234 -2.954 -1.361 1.00 0.00 O ATOM 1805 CB VAL A 114 115.058 -5.008 -3.198 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.614 -6.257 -2.435 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.651 -5.419 -4.548 1.00 0.00 C ATOM 0 H VAL A 114 115.152 -2.621 -4.263 1.00 0.00 H new ATOM 0 HA VAL A 114 113.033 -4.686 -3.839 1.00 0.00 H new ATOM 0 HB VAL A 114 115.810 -4.476 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.473 -6.907 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 114 114.190 -5.965 -1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.862 -6.790 -3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 114 116.510 -6.070 -4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.898 -5.951 -5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 114 115.968 -4.529 -5.092 1.00 0.00 H new ATOM 1817 N GLN A 115 112.150 -3.479 -1.817 1.00 0.00 N ATOM 1818 CA GLN A 115 111.672 -2.871 -0.545 1.00 0.00 C ATOM 1819 C GLN A 115 111.185 -3.979 0.382 1.00 0.00 C ATOM 1820 O GLN A 115 110.120 -4.534 0.194 1.00 0.00 O ATOM 1821 CB GLN A 115 110.521 -1.908 -0.840 1.00 0.00 C ATOM 1822 CG GLN A 115 110.133 -1.168 0.441 1.00 0.00 C ATOM 1823 CD GLN A 115 108.975 -0.211 0.150 1.00 0.00 C ATOM 1824 OE1 GLN A 115 108.058 -0.560 -0.711 1.00 0.00 O flip ATOM 1825 NE2 GLN A 115 108.906 0.864 0.710 1.00 0.00 N flip ATOM 0 H GLN A 115 111.423 -3.888 -2.404 1.00 0.00 H new ATOM 0 HA GLN A 115 112.485 -2.323 -0.069 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.818 -1.195 -1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.664 -2.458 -1.229 1.00 0.00 H new ATOM 0 HG2 GLN A 115 109.843 -1.882 1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 115 110.989 -0.613 0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 115 109.623 1.136 1.383 1.00 0.00 H new ATOM 0 HE22 GLN A 115 108.131 1.495 0.508 1.00 0.00 H new ATOM 1834 N THR A 116 111.952 -4.312 1.382 1.00 0.00 N ATOM 1835 CA THR A 116 111.523 -5.389 2.310 1.00 0.00 C ATOM 1836 C THR A 116 110.993 -4.769 3.597 1.00 0.00 C ATOM 1837 O THR A 116 111.492 -3.767 4.067 1.00 0.00 O ATOM 1838 CB THR A 116 112.714 -6.291 2.638 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.645 -6.256 1.565 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.231 -7.728 2.850 1.00 0.00 C ATOM 0 H THR A 116 112.854 -3.886 1.595 1.00 0.00 H new ATOM 0 HA THR A 116 110.739 -5.980 1.837 1.00 0.00 H new ATOM 0 HB THR A 116 113.195 -5.935 3.549 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.409 -6.833 1.776 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.082 -8.367 3.083 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.520 -7.755 3.676 1.00 0.00 H new ATOM 0 HG23 THR A 116 111.746 -8.087 1.942 1.00 0.00 H new ATOM 1848 N TYR A 117 109.995 -5.369 4.175 1.00 0.00 N ATOM 1849 CA TYR A 117 109.437 -4.824 5.445 1.00 0.00 C ATOM 1850 C TYR A 117 109.354 -5.929 6.483 1.00 0.00 C ATOM 1851 O TYR A 117 109.052 -7.065 6.184 1.00 0.00 O ATOM 1852 CB TYR A 117 108.033 -4.246 5.240 1.00 0.00 C ATOM 1853 CG TYR A 117 107.855 -3.829 3.812 1.00 0.00 C ATOM 1854 CD1 TYR A 117 107.884 -4.796 2.817 1.00 0.00 C ATOM 1855 CD2 TYR A 117 107.650 -2.484 3.488 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.710 -4.429 1.479 1.00 0.00 C ATOM 1857 CE2 TYR A 117 107.477 -2.109 2.152 1.00 0.00 C ATOM 1858 CZ TYR A 117 107.507 -3.083 1.144 1.00 0.00 C ATOM 1859 OH TYR A 117 107.335 -2.719 -0.175 1.00 0.00 O ATOM 0 H TYR A 117 109.540 -6.212 3.826 1.00 0.00 H new ATOM 0 HA TYR A 117 110.101 -4.027 5.781 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.282 -4.990 5.507 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.883 -3.391 5.899 1.00 0.00 H new ATOM 0 HD1 TYR A 117 108.041 -5.833 3.076 1.00 0.00 H new ATOM 0 HD2 TYR A 117 107.625 -1.737 4.268 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.732 -5.182 0.705 1.00 0.00 H new ATOM 0 HE2 TYR A 117 107.321 -1.071 1.897 1.00 0.00 H new ATOM 0 HH TYR A 117 107.318 -1.742 -0.245 1.00 0.00 H new ATOM 1869 N VAL A 118 109.585 -5.579 7.704 1.00 0.00 N ATOM 1870 CA VAL A 118 109.494 -6.571 8.807 1.00 0.00 C ATOM 1871 C VAL A 118 108.293 -6.229 9.645 1.00 0.00 C ATOM 1872 O VAL A 118 107.932 -5.078 9.801 1.00 0.00 O ATOM 1873 CB VAL A 118 110.719 -6.515 9.712 1.00 0.00 C ATOM 1874 CG1 VAL A 118 110.713 -7.726 10.654 1.00 0.00 C ATOM 1875 CG2 VAL A 118 111.999 -6.509 8.873 1.00 0.00 C ATOM 0 H VAL A 118 109.837 -4.635 7.996 1.00 0.00 H new ATOM 0 HA VAL A 118 109.423 -7.567 8.370 1.00 0.00 H new ATOM 0 HB VAL A 118 110.687 -5.598 10.301 1.00 0.00 H new ATOM 0 HG11 VAL A 118 111.589 -7.687 11.302 1.00 0.00 H new ATOM 0 HG12 VAL A 118 109.810 -7.708 11.264 1.00 0.00 H new ATOM 0 HG13 VAL A 118 110.737 -8.644 10.067 1.00 0.00 H new ATOM 0 HG21 VAL A 118 112.866 -6.469 9.532 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.043 -7.416 8.270 1.00 0.00 H new ATOM 0 HG23 VAL A 118 112.001 -5.638 8.218 1.00 0.00 H new ATOM 1885 N TYR A 119 107.671 -7.212 10.187 1.00 0.00 N ATOM 1886 CA TYR A 119 106.484 -6.933 11.019 1.00 0.00 C ATOM 1887 C TYR A 119 106.346 -7.957 12.143 1.00 0.00 C ATOM 1888 O TYR A 119 106.103 -9.126 11.926 1.00 0.00 O ATOM 1889 CB TYR A 119 105.246 -6.952 10.135 1.00 0.00 C ATOM 1890 CG TYR A 119 104.253 -5.949 10.656 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.378 -6.324 11.671 1.00 0.00 C ATOM 1892 CD2 TYR A 119 104.196 -4.657 10.118 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.435 -5.413 12.156 1.00 0.00 C ATOM 1894 CE2 TYR A 119 103.258 -3.740 10.604 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.374 -4.120 11.623 1.00 0.00 C ATOM 1896 OH TYR A 119 101.445 -3.219 12.101 1.00 0.00 O ATOM 0 H TYR A 119 107.926 -8.195 10.095 1.00 0.00 H new ATOM 0 HA TYR A 119 106.597 -5.951 11.479 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.515 -6.715 9.106 1.00 0.00 H new ATOM 0 HB3 TYR A 119 104.805 -7.949 10.127 1.00 0.00 H new ATOM 0 HD1 TYR A 119 103.427 -7.320 12.085 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.875 -4.369 9.329 1.00 0.00 H new ATOM 0 HE1 TYR A 119 101.754 -5.707 12.941 1.00 0.00 H new ATOM 0 HE2 TYR A 119 103.215 -2.741 10.195 1.00 0.00 H new ATOM 0 HH TYR A 119 100.859 -3.665 12.747 1.00 0.00 H new ATOM 1906 N GLU A 120 106.491 -7.492 13.348 1.00 0.00 N ATOM 1907 CA GLU A 120 106.358 -8.374 14.546 1.00 0.00 C ATOM 1908 C GLU A 120 107.259 -9.593 14.424 1.00 0.00 C ATOM 1909 O GLU A 120 107.118 -10.558 15.149 1.00 0.00 O ATOM 1910 CB GLU A 120 104.903 -8.823 14.695 1.00 0.00 C ATOM 1911 CG GLU A 120 104.105 -7.740 15.425 1.00 0.00 C ATOM 1912 CD GLU A 120 104.273 -7.913 16.936 1.00 0.00 C ATOM 1913 OE1 GLU A 120 103.599 -8.764 17.492 1.00 0.00 O ATOM 1914 OE2 GLU A 120 105.073 -7.193 17.510 1.00 0.00 O ATOM 0 H GLU A 120 106.701 -6.517 13.562 1.00 0.00 H new ATOM 0 HA GLU A 120 106.660 -7.808 15.427 1.00 0.00 H new ATOM 0 HB2 GLU A 120 104.467 -9.011 13.714 1.00 0.00 H new ATOM 0 HB3 GLU A 120 104.856 -9.760 15.250 1.00 0.00 H new ATOM 0 HG2 GLU A 120 104.450 -6.752 15.121 1.00 0.00 H new ATOM 0 HG3 GLU A 120 103.051 -7.806 15.156 1.00 0.00 H new ATOM 1921 N GLY A 121 108.184 -9.556 13.523 1.00 0.00 N ATOM 1922 CA GLY A 121 109.104 -10.713 13.354 1.00 0.00 C ATOM 1923 C GLY A 121 108.806 -11.382 12.022 1.00 0.00 C ATOM 1924 O GLY A 121 109.021 -12.564 11.843 1.00 0.00 O ATOM 0 H GLY A 121 108.349 -8.774 12.890 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.141 -10.379 13.385 1.00 0.00 H new ATOM 0 HA3 GLY A 121 108.973 -11.423 14.171 1.00 0.00 H new ATOM 1928 N VAL A 122 108.324 -10.625 11.080 1.00 0.00 N ATOM 1929 CA VAL A 122 108.021 -11.192 9.753 1.00 0.00 C ATOM 1930 C VAL A 122 108.829 -10.424 8.742 1.00 0.00 C ATOM 1931 O VAL A 122 109.517 -9.483 9.076 1.00 0.00 O ATOM 1932 CB VAL A 122 106.534 -11.054 9.436 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.271 -9.756 8.671 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.083 -12.246 8.593 1.00 0.00 C ATOM 0 H VAL A 122 108.127 -9.629 11.180 1.00 0.00 H new ATOM 0 HA VAL A 122 108.270 -12.253 9.731 1.00 0.00 H new ATOM 0 HB VAL A 122 105.973 -11.030 10.370 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.206 -9.672 8.452 1.00 0.00 H new ATOM 0 HG12 VAL A 122 106.585 -8.906 9.277 1.00 0.00 H new ATOM 0 HG13 VAL A 122 106.834 -9.763 7.738 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.021 -12.150 8.365 1.00 0.00 H new ATOM 0 HG22 VAL A 122 106.653 -12.271 7.664 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.253 -13.169 9.148 1.00 0.00 H new ATOM 1944 N GLU A 123 108.759 -10.805 7.518 1.00 0.00 N ATOM 1945 CA GLU A 123 109.544 -10.067 6.504 1.00 0.00 C ATOM 1946 C GLU A 123 108.920 -10.222 5.116 1.00 0.00 C ATOM 1947 O GLU A 123 108.947 -11.285 4.526 1.00 0.00 O ATOM 1948 CB GLU A 123 110.978 -10.605 6.475 1.00 0.00 C ATOM 1949 CG GLU A 123 111.826 -9.883 7.527 1.00 0.00 C ATOM 1950 CD GLU A 123 113.307 -10.169 7.271 1.00 0.00 C ATOM 1951 OE1 GLU A 123 113.756 -9.922 6.164 1.00 0.00 O ATOM 1952 OE2 GLU A 123 113.967 -10.632 8.187 1.00 0.00 O ATOM 0 H GLU A 123 108.202 -11.585 7.170 1.00 0.00 H new ATOM 0 HA GLU A 123 109.547 -9.010 6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 123 110.977 -11.678 6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.410 -10.460 5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 123 111.639 -8.810 7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.547 -10.217 8.526 1.00 0.00 H new ATOM 1959 N ALA A 124 108.385 -9.160 4.577 1.00 0.00 N ATOM 1960 CA ALA A 124 107.790 -9.233 3.214 1.00 0.00 C ATOM 1961 C ALA A 124 108.750 -8.551 2.240 1.00 0.00 C ATOM 1962 O ALA A 124 109.515 -7.689 2.623 1.00 0.00 O ATOM 1963 CB ALA A 124 106.431 -8.526 3.191 1.00 0.00 C ATOM 0 H ALA A 124 108.335 -8.244 5.023 1.00 0.00 H new ATOM 0 HA ALA A 124 107.637 -10.274 2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.006 -8.586 2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 124 105.758 -9.008 3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.560 -7.480 3.468 1.00 0.00 H new ATOM 1969 N LYS A 125 108.732 -8.927 0.989 1.00 0.00 N ATOM 1970 CA LYS A 125 109.667 -8.289 0.024 1.00 0.00 C ATOM 1971 C LYS A 125 108.923 -7.839 -1.230 1.00 0.00 C ATOM 1972 O LYS A 125 108.081 -8.538 -1.759 1.00 0.00 O ATOM 1973 CB LYS A 125 110.759 -9.286 -0.365 1.00 0.00 C ATOM 1974 CG LYS A 125 111.986 -8.532 -0.886 1.00 0.00 C ATOM 1975 CD LYS A 125 113.194 -9.474 -0.922 1.00 0.00 C ATOM 1976 CE LYS A 125 113.127 -10.353 -2.175 1.00 0.00 C ATOM 1977 NZ LYS A 125 113.521 -11.747 -1.824 1.00 0.00 N ATOM 0 H LYS A 125 108.117 -9.641 0.599 1.00 0.00 H new ATOM 0 HA LYS A 125 110.114 -7.415 0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.033 -9.894 0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.387 -9.967 -1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 125 111.788 -8.141 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.199 -7.677 -0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 125 114.118 -8.896 -0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.207 -10.098 -0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 125 112.118 -10.341 -2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 125 113.790 -9.959 -2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 113.788 -12.260 -2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 114.330 -11.725 -1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 112.720 -12.230 -1.368 1.00 0.00 H new ATOM 1991 N ARG A 126 109.250 -6.673 -1.716 1.00 0.00 N ATOM 1992 CA ARG A 126 108.595 -6.153 -2.949 1.00 0.00 C ATOM 1993 C ARG A 126 109.691 -5.651 -3.892 1.00 0.00 C ATOM 1994 O ARG A 126 110.393 -4.707 -3.588 1.00 0.00 O ATOM 1995 CB ARG A 126 107.650 -5.001 -2.583 1.00 0.00 C ATOM 1996 CG ARG A 126 106.197 -5.444 -2.780 1.00 0.00 C ATOM 1997 CD ARG A 126 105.258 -4.408 -2.160 1.00 0.00 C ATOM 1998 NE ARG A 126 103.901 -4.548 -2.759 1.00 0.00 N ATOM 1999 CZ ARG A 126 102.939 -3.746 -2.392 1.00 0.00 C ATOM 2000 NH1 ARG A 126 101.750 -3.869 -2.917 1.00 0.00 N ATOM 2001 NH2 ARG A 126 103.167 -2.819 -1.502 1.00 0.00 N ATOM 0 H ARG A 126 109.949 -6.053 -1.308 1.00 0.00 H new ATOM 0 HA ARG A 126 108.014 -6.938 -3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 126 107.812 -4.700 -1.548 1.00 0.00 H new ATOM 0 HB3 ARG A 126 107.863 -4.131 -3.205 1.00 0.00 H new ATOM 0 HG2 ARG A 126 105.981 -5.556 -3.842 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.037 -6.418 -2.318 1.00 0.00 H new ATOM 0 HD2 ARG A 126 105.207 -4.548 -1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 126 105.642 -3.403 -2.334 1.00 0.00 H new ATOM 0 HE ARG A 126 103.724 -5.271 -3.456 1.00 0.00 H new ATOM 0 HH11 ARG A 126 101.573 -4.592 -3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 126 100.998 -3.242 -2.630 1.00 0.00 H new ATOM 0 HH21 ARG A 126 104.097 -2.722 -1.094 1.00 0.00 H new ATOM 0 HH22 ARG A 126 102.416 -2.192 -1.215 1.00 0.00 H new ATOM 2015 N ILE A 127 109.862 -6.285 -5.020 1.00 0.00 N ATOM 2016 CA ILE A 127 110.937 -5.848 -5.956 1.00 0.00 C ATOM 2017 C ILE A 127 110.337 -5.157 -7.181 1.00 0.00 C ATOM 2018 O ILE A 127 109.537 -5.723 -7.899 1.00 0.00 O ATOM 2019 CB ILE A 127 111.731 -7.070 -6.420 1.00 0.00 C ATOM 2020 CG1 ILE A 127 112.161 -7.908 -5.207 1.00 0.00 C ATOM 2021 CG2 ILE A 127 112.970 -6.615 -7.194 1.00 0.00 C ATOM 2022 CD1 ILE A 127 112.039 -9.395 -5.548 1.00 0.00 C ATOM 0 H ILE A 127 109.308 -7.082 -5.333 1.00 0.00 H new ATOM 0 HA ILE A 127 111.588 -5.147 -5.434 1.00 0.00 H new ATOM 0 HB ILE A 127 111.101 -7.678 -7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 127 113.189 -7.670 -4.932 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.537 -7.669 -4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.534 -7.488 -7.523 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.663 -6.032 -8.062 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.597 -6.000 -6.548 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.344 -9.992 -4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 127 111.005 -9.626 -5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 127 112.682 -9.627 -6.397 1.00 0.00 H new ATOM 2034 N PHE A 128 110.740 -3.942 -7.439 1.00 0.00 N ATOM 2035 CA PHE A 128 110.217 -3.220 -8.635 1.00 0.00 C ATOM 2036 C PHE A 128 111.245 -3.302 -9.764 1.00 0.00 C ATOM 2037 O PHE A 128 112.335 -3.812 -9.592 1.00 0.00 O ATOM 2038 CB PHE A 128 109.984 -1.734 -8.318 1.00 0.00 C ATOM 2039 CG PHE A 128 109.130 -1.562 -7.081 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.355 -2.618 -6.612 1.00 0.00 C ATOM 2041 CD2 PHE A 128 109.110 -0.332 -6.412 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.551 -2.457 -5.479 1.00 0.00 C ATOM 2043 CE2 PHE A 128 108.309 -0.166 -5.274 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.528 -1.229 -4.808 1.00 0.00 C ATOM 0 H PHE A 128 111.408 -3.418 -6.874 1.00 0.00 H new ATOM 0 HA PHE A 128 109.275 -3.684 -8.927 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.943 -1.237 -8.172 1.00 0.00 H new ATOM 0 HB3 PHE A 128 109.500 -1.251 -9.167 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.374 -3.568 -7.126 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.712 0.489 -6.773 1.00 0.00 H new ATOM 0 HE1 PHE A 128 106.949 -3.279 -5.122 1.00 0.00 H new ATOM 0 HE2 PHE A 128 108.295 0.782 -4.757 1.00 0.00 H new ATOM 0 HZ PHE A 128 106.909 -1.102 -3.932 1.00 0.00 H new ATOM 2054 N LYS A 129 110.905 -2.782 -10.913 1.00 0.00 N ATOM 2055 CA LYS A 129 111.851 -2.806 -12.063 1.00 0.00 C ATOM 2056 C LYS A 129 111.413 -1.762 -13.092 1.00 0.00 C ATOM 2057 O LYS A 129 110.239 -1.508 -13.272 1.00 0.00 O ATOM 2058 CB LYS A 129 111.841 -4.193 -12.710 1.00 0.00 C ATOM 2059 CG LYS A 129 112.985 -4.295 -13.722 1.00 0.00 C ATOM 2060 CD LYS A 129 112.563 -5.195 -14.884 1.00 0.00 C ATOM 2061 CE LYS A 129 113.678 -5.235 -15.931 1.00 0.00 C ATOM 2062 NZ LYS A 129 113.683 -3.959 -16.700 1.00 0.00 N ATOM 0 H LYS A 129 110.006 -2.339 -11.104 1.00 0.00 H new ATOM 0 HA LYS A 129 112.858 -2.581 -11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 129 111.948 -4.963 -11.946 1.00 0.00 H new ATOM 0 HB3 LYS A 129 110.886 -4.367 -13.206 1.00 0.00 H new ATOM 0 HG2 LYS A 129 113.246 -3.304 -14.093 1.00 0.00 H new ATOM 0 HG3 LYS A 129 113.875 -4.699 -13.240 1.00 0.00 H new ATOM 0 HD2 LYS A 129 112.354 -6.201 -14.521 1.00 0.00 H new ATOM 0 HD3 LYS A 129 111.643 -4.821 -15.332 1.00 0.00 H new ATOM 0 HE2 LYS A 129 114.642 -5.383 -15.445 1.00 0.00 H new ATOM 0 HE3 LYS A 129 113.528 -6.078 -16.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 114.295 -4.059 -17.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 112.715 -3.734 -17.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 114.043 -3.192 -16.097 1.00 0.00 H new ATOM 2076 N LYS A 130 112.348 -1.153 -13.769 1.00 0.00 N ATOM 2077 CA LYS A 130 111.983 -0.124 -14.783 1.00 0.00 C ATOM 2078 C LYS A 130 110.869 -0.668 -15.681 1.00 0.00 C ATOM 2079 O LYS A 130 110.927 -1.786 -16.152 1.00 0.00 O ATOM 2080 CB LYS A 130 113.214 0.212 -15.634 1.00 0.00 C ATOM 2081 CG LYS A 130 113.578 1.689 -15.462 1.00 0.00 C ATOM 2082 CD LYS A 130 114.637 2.079 -16.496 1.00 0.00 C ATOM 2083 CE LYS A 130 115.146 3.490 -16.200 1.00 0.00 C ATOM 2084 NZ LYS A 130 116.232 3.424 -15.181 1.00 0.00 N ATOM 0 H LYS A 130 113.348 -1.324 -13.664 1.00 0.00 H new ATOM 0 HA LYS A 130 111.634 0.778 -14.280 1.00 0.00 H new ATOM 0 HB2 LYS A 130 114.054 -0.416 -15.338 1.00 0.00 H new ATOM 0 HB3 LYS A 130 113.011 -0.002 -16.683 1.00 0.00 H new ATOM 0 HG2 LYS A 130 112.690 2.310 -15.584 1.00 0.00 H new ATOM 0 HG3 LYS A 130 113.955 1.866 -14.455 1.00 0.00 H new ATOM 0 HD2 LYS A 130 115.464 1.370 -16.470 1.00 0.00 H new ATOM 0 HD3 LYS A 130 114.213 2.037 -17.499 1.00 0.00 H new ATOM 0 HE2 LYS A 130 115.518 3.953 -17.114 1.00 0.00 H new ATOM 0 HE3 LYS A 130 114.329 4.114 -15.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 116.670 4.362 -15.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 115.833 3.127 -14.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 116.952 2.737 -15.485 1.00 0.00 H new ATOM 2098 N ASP A 131 109.855 0.117 -15.921 1.00 0.00 N ATOM 2099 CA ASP A 131 108.739 -0.353 -16.789 1.00 0.00 C ATOM 2100 C ASP A 131 109.279 -0.686 -18.180 1.00 0.00 C ATOM 2101 O ASP A 131 110.085 0.081 -18.681 1.00 0.00 O ATOM 2102 CB ASP A 131 107.683 0.750 -16.903 1.00 0.00 C ATOM 2103 CG ASP A 131 106.500 0.241 -17.728 1.00 0.00 C ATOM 2104 OD1 ASP A 131 105.376 0.559 -17.375 1.00 0.00 O ATOM 2105 OD2 ASP A 131 106.738 -0.458 -18.699 1.00 0.00 O ATOM 0 H ASP A 131 109.751 1.063 -15.554 1.00 0.00 H new ATOM 0 HA ASP A 131 108.289 -1.244 -16.351 1.00 0.00 H new ATOM 0 HB2 ASP A 131 107.346 1.049 -15.911 1.00 0.00 H new ATOM 0 HB3 ASP A 131 108.114 1.634 -17.373 1.00 0.00 H new TER 2110 ASP A 131