USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00916 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00664 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 37:sc= 0.0398 USER MOD Single : A 8 ASN :FLIP amide:sc= -0.727 F(o=-2!,f=-0.73) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -2.82! C(o=-2.8!,f=-3.2!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.76 USER MOD Single : A 37 THR OG1 : rot 59:sc= 0.871 USER MOD Single : A 40 SER OG : rot 150:sc= -0.813 USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= -0.0488 (180deg=-0.343) USER MOD Single : A 46 ASN : amide:sc= -1.31 K(o=-1.3,f=-6.7!) USER MOD Single : A 48 CYS SG : rot 180:sc= -1.56 USER MOD Single : A 61 THR OG1 : rot 74:sc= 0.355 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -135:sc= -7.75! (180deg=-9.35!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -5.19! C(o=-5.2!,f=-8!) USER MOD Single : A 70 GLN : amide:sc= -0.667 K(o=-0.67,f=-1.5) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.015) USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00862) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0935 USER MOD Single : A 93 SER OG : rot 180:sc= -0.538 USER MOD Single : A 95 GLN : amide:sc= -2.38! C(o=-2.4!,f=-2!) USER MOD Single : A 97 SER OG : rot 90:sc= 0.209! USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.224 9.816 -6.769 1.00 0.00 N ATOM 2 CA GLY A 1 -27.856 9.363 -6.592 1.00 0.00 C ATOM 3 C GLY A 1 -26.898 10.505 -6.320 1.00 0.00 C ATOM 4 O GLY A 1 -26.951 11.541 -6.983 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.840 8.998 -6.952 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.543 10.303 -5.907 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.271 10.472 -7.575 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.815 8.654 -5.765 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.535 8.829 -7.486 1.00 0.00 H new ATOM 8 N SER A 2 -26.020 10.318 -5.339 1.00 0.00 N ATOM 9 CA SER A 2 -25.049 11.344 -4.977 1.00 0.00 C ATOM 10 C SER A 2 -23.641 10.930 -5.393 1.00 0.00 C ATOM 11 O SER A 2 -23.327 9.742 -5.469 1.00 0.00 O ATOM 12 CB SER A 2 -25.091 11.606 -3.470 1.00 0.00 C ATOM 13 OG SER A 2 -24.000 12.413 -3.062 1.00 0.00 O ATOM 0 H SER A 2 -25.961 9.466 -4.781 1.00 0.00 H new ATOM 0 HA SER A 2 -25.311 12.260 -5.506 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.028 12.097 -3.209 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.067 10.658 -2.932 1.00 0.00 H new ATOM 0 HG SER A 2 -24.051 12.567 -2.096 1.00 0.00 H new ATOM 19 N SER A 3 -22.796 11.920 -5.663 1.00 0.00 N ATOM 20 CA SER A 3 -21.421 11.660 -6.076 1.00 0.00 C ATOM 21 C SER A 3 -20.564 11.248 -4.883 1.00 0.00 C ATOM 22 O SER A 3 -20.143 12.086 -4.087 1.00 0.00 O ATOM 23 CB SER A 3 -20.824 12.901 -6.743 1.00 0.00 C ATOM 24 OG SER A 3 -21.107 12.920 -8.131 1.00 0.00 O ATOM 0 H SER A 3 -23.039 12.909 -5.603 1.00 0.00 H new ATOM 0 HA SER A 3 -21.432 10.840 -6.794 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.227 13.799 -6.274 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.745 12.917 -6.588 1.00 0.00 H new ATOM 0 HG SER A 3 -20.716 13.724 -8.534 1.00 0.00 H new ATOM 30 N GLY A 4 -20.310 9.948 -4.766 1.00 0.00 N ATOM 31 CA GLY A 4 -19.505 9.445 -3.668 1.00 0.00 C ATOM 32 C GLY A 4 -19.846 8.013 -3.308 1.00 0.00 C ATOM 33 O GLY A 4 -20.925 7.737 -2.784 1.00 0.00 O ATOM 0 H GLY A 4 -20.647 9.234 -5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.450 9.508 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.650 10.080 -2.794 1.00 0.00 H new ATOM 37 N SER A 5 -18.924 7.098 -3.591 1.00 0.00 N ATOM 38 CA SER A 5 -19.134 5.685 -3.299 1.00 0.00 C ATOM 39 C SER A 5 -17.817 5.003 -2.940 1.00 0.00 C ATOM 40 O SER A 5 -16.909 4.909 -3.766 1.00 0.00 O ATOM 41 CB SER A 5 -19.775 4.984 -4.498 1.00 0.00 C ATOM 42 OG SER A 5 -20.509 3.843 -4.089 1.00 0.00 O ATOM 0 H SER A 5 -18.024 7.310 -4.022 1.00 0.00 H new ATOM 0 HA SER A 5 -19.806 5.612 -2.444 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.435 5.678 -5.019 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.001 4.688 -5.206 1.00 0.00 H new ATOM 0 HG SER A 5 -20.910 3.414 -4.873 1.00 0.00 H new ATOM 48 N SER A 6 -17.722 4.527 -1.703 1.00 0.00 N ATOM 49 CA SER A 6 -16.515 3.857 -1.233 1.00 0.00 C ATOM 50 C SER A 6 -15.944 2.945 -2.314 1.00 0.00 C ATOM 51 O SER A 6 -16.663 2.145 -2.911 1.00 0.00 O ATOM 52 CB SER A 6 -16.817 3.045 0.028 1.00 0.00 C ATOM 53 OG SER A 6 -17.919 2.178 -0.174 1.00 0.00 O ATOM 0 H SER A 6 -18.466 4.593 -1.008 1.00 0.00 H new ATOM 0 HA SER A 6 -15.773 4.620 -0.997 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.939 2.463 0.308 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.029 3.720 0.857 1.00 0.00 H new ATOM 0 HG SER A 6 -17.893 1.823 -1.087 1.00 0.00 H new ATOM 59 N GLY A 7 -14.644 3.072 -2.561 1.00 0.00 N ATOM 60 CA GLY A 7 -13.996 2.255 -3.570 1.00 0.00 C ATOM 61 C GLY A 7 -13.020 1.261 -2.972 1.00 0.00 C ATOM 62 O GLY A 7 -11.940 1.637 -2.519 1.00 0.00 O ATOM 0 H GLY A 7 -14.028 3.727 -2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.754 1.717 -4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.468 2.901 -4.272 1.00 0.00 H new ATOM 66 N ASN A 8 -13.402 -0.012 -2.969 1.00 0.00 N ATOM 67 CA ASN A 8 -12.553 -1.063 -2.420 1.00 0.00 C ATOM 68 C ASN A 8 -11.689 -1.690 -3.511 1.00 0.00 C ATOM 69 O ASN A 8 -12.147 -1.908 -4.632 1.00 0.00 O ATOM 70 CB ASN A 8 -13.408 -2.140 -1.749 1.00 0.00 C ATOM 71 CG ASN A 8 -13.982 -3.127 -2.748 1.00 0.00 C ATOM 72 OD1 ASN A 8 -13.142 -4.032 -3.236 1.00 0.00 O flip ATOM 73 ND2 ASN A 8 -15.168 -3.076 -3.075 1.00 0.00 N flip ATOM 0 H ASN A 8 -14.293 -0.341 -3.340 1.00 0.00 H new ATOM 0 HA ASN A 8 -11.897 -0.613 -1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.804 -2.677 -1.018 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.223 -1.665 -1.202 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.777 -2.363 -2.674 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.541 -3.747 -3.747 1.00 0.00 H new ATOM 80 N VAL A 9 -10.436 -1.978 -3.173 1.00 0.00 N ATOM 81 CA VAL A 9 -9.508 -2.582 -4.122 1.00 0.00 C ATOM 82 C VAL A 9 -8.608 -3.604 -3.436 1.00 0.00 C ATOM 83 O VAL A 9 -7.845 -3.267 -2.531 1.00 0.00 O ATOM 84 CB VAL A 9 -8.629 -1.515 -4.803 1.00 0.00 C ATOM 85 CG1 VAL A 9 -7.594 -2.172 -5.703 1.00 0.00 C ATOM 86 CG2 VAL A 9 -9.491 -0.540 -5.590 1.00 0.00 C ATOM 0 H VAL A 9 -10.040 -1.803 -2.249 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.111 -3.084 -4.879 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.101 -0.956 -4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.982 -1.403 -6.176 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.958 -2.827 -5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.099 -2.757 -6.472 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.855 0.207 -6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.047 -1.082 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.190 -0.045 -4.915 1.00 0.00 H new ATOM 96 N VAL A 10 -8.702 -4.855 -3.874 1.00 0.00 N ATOM 97 CA VAL A 10 -7.895 -5.927 -3.304 1.00 0.00 C ATOM 98 C VAL A 10 -7.040 -6.599 -4.373 1.00 0.00 C ATOM 99 O VAL A 10 -7.533 -7.410 -5.158 1.00 0.00 O ATOM 100 CB VAL A 10 -8.776 -6.991 -2.623 1.00 0.00 C ATOM 101 CG1 VAL A 10 -7.960 -7.804 -1.630 1.00 0.00 C ATOM 102 CG2 VAL A 10 -9.967 -6.338 -1.939 1.00 0.00 C ATOM 0 H VAL A 10 -9.329 -5.151 -4.622 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.245 -5.471 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.153 -7.669 -3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.599 -8.551 -1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.143 -8.303 -2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.552 -7.142 -0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.579 -7.105 -1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.613 -5.636 -1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.564 -5.805 -2.679 1.00 0.00 H new ATOM 112 N LEU A 11 -5.757 -6.258 -4.397 1.00 0.00 N ATOM 113 CA LEU A 11 -4.831 -6.828 -5.369 1.00 0.00 C ATOM 114 C LEU A 11 -4.261 -8.151 -4.867 1.00 0.00 C ATOM 115 O LEU A 11 -3.843 -8.278 -3.716 1.00 0.00 O ATOM 116 CB LEU A 11 -3.694 -5.847 -5.658 1.00 0.00 C ATOM 117 CG LEU A 11 -4.097 -4.380 -5.813 1.00 0.00 C ATOM 118 CD1 LEU A 11 -2.884 -3.475 -5.670 1.00 0.00 C ATOM 119 CD2 LEU A 11 -4.778 -4.153 -7.155 1.00 0.00 C ATOM 0 H LEU A 11 -5.334 -5.589 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.382 -7.017 -6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.965 -5.919 -4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.191 -6.164 -6.572 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.805 -4.132 -5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.190 -2.435 -5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.438 -3.617 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.152 -3.723 -6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.058 -3.104 -7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.093 -4.419 -7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.672 -4.774 -7.219 1.00 0.00 H new ATOM 131 N PRO A 12 -4.241 -9.160 -5.750 1.00 0.00 N ATOM 132 CA PRO A 12 -3.721 -10.491 -5.420 1.00 0.00 C ATOM 133 C PRO A 12 -2.208 -10.493 -5.235 1.00 0.00 C ATOM 134 O PRO A 12 -1.466 -10.039 -6.105 1.00 0.00 O ATOM 135 CB PRO A 12 -4.112 -11.336 -6.635 1.00 0.00 C ATOM 136 CG PRO A 12 -4.227 -10.360 -7.754 1.00 0.00 C ATOM 137 CD PRO A 12 -4.723 -9.080 -7.139 1.00 0.00 C ATOM 0 HA PRO A 12 -4.123 -10.863 -4.478 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.360 -12.095 -6.848 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.054 -11.859 -6.467 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.264 -10.211 -8.242 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.918 -10.720 -8.516 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.324 -8.206 -7.653 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.810 -9.007 -7.184 1.00 0.00 H new ATOM 145 N GLY A 13 -1.756 -11.007 -4.095 1.00 0.00 N ATOM 146 CA GLY A 13 -0.333 -11.058 -3.817 1.00 0.00 C ATOM 147 C GLY A 13 0.208 -12.474 -3.817 1.00 0.00 C ATOM 148 O GLY A 13 -0.397 -13.392 -4.373 1.00 0.00 O ATOM 0 H GLY A 13 -2.350 -11.389 -3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.201 -10.469 -4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.139 -10.598 -2.848 1.00 0.00 H new ATOM 152 N PRO A 14 1.374 -12.668 -3.183 1.00 0.00 N ATOM 153 CA PRO A 14 2.102 -11.583 -2.518 1.00 0.00 C ATOM 154 C PRO A 14 2.694 -10.589 -3.511 1.00 0.00 C ATOM 155 O PRO A 14 2.374 -10.617 -4.698 1.00 0.00 O ATOM 156 CB PRO A 14 3.216 -12.314 -1.764 1.00 0.00 C ATOM 157 CG PRO A 14 3.421 -13.579 -2.524 1.00 0.00 C ATOM 158 CD PRO A 14 2.071 -13.959 -3.067 1.00 0.00 C ATOM 0 HA PRO A 14 1.452 -10.989 -1.875 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.129 -11.719 -1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.930 -12.514 -0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.140 -13.437 -3.331 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.817 -14.363 -1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.152 -14.460 -4.032 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.546 -14.640 -2.398 1.00 0.00 H new ATOM 166 N ALA A 15 3.561 -9.711 -3.016 1.00 0.00 N ATOM 167 CA ALA A 15 4.200 -8.709 -3.861 1.00 0.00 C ATOM 168 C ALA A 15 5.203 -9.352 -4.812 1.00 0.00 C ATOM 169 O ALA A 15 5.566 -10.520 -4.672 1.00 0.00 O ATOM 170 CB ALA A 15 4.884 -7.654 -3.003 1.00 0.00 C ATOM 0 H ALA A 15 3.837 -9.673 -2.035 1.00 0.00 H new ATOM 0 HA ALA A 15 3.427 -8.229 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.357 -6.912 -3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.144 -7.165 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.641 -8.128 -2.378 1.00 0.00 H new ATOM 176 N PRO A 16 5.662 -8.575 -5.804 1.00 0.00 N ATOM 177 CA PRO A 16 5.236 -7.183 -5.980 1.00 0.00 C ATOM 178 C PRO A 16 3.785 -7.074 -6.434 1.00 0.00 C ATOM 179 O PRO A 16 3.151 -8.077 -6.764 1.00 0.00 O ATOM 180 CB PRO A 16 6.178 -6.659 -7.067 1.00 0.00 C ATOM 181 CG PRO A 16 6.588 -7.872 -7.829 1.00 0.00 C ATOM 182 CD PRO A 16 6.632 -8.994 -6.829 1.00 0.00 C ATOM 0 HA PRO A 16 5.284 -6.621 -5.048 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.676 -5.937 -7.712 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.041 -6.153 -6.633 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.879 -8.089 -8.628 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.562 -7.728 -8.297 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.353 -9.946 -7.281 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.630 -9.120 -6.410 1.00 0.00 H new ATOM 190 N TRP A 17 3.265 -5.852 -6.450 1.00 0.00 N ATOM 191 CA TRP A 17 1.887 -5.613 -6.865 1.00 0.00 C ATOM 192 C TRP A 17 1.831 -5.105 -8.301 1.00 0.00 C ATOM 193 O TRP A 17 1.093 -5.637 -9.129 1.00 0.00 O ATOM 194 CB TRP A 17 1.218 -4.605 -5.928 1.00 0.00 C ATOM 195 CG TRP A 17 1.360 -4.957 -4.478 1.00 0.00 C ATOM 196 CD1 TRP A 17 2.105 -4.297 -3.543 1.00 0.00 C ATOM 197 CD2 TRP A 17 0.741 -6.055 -3.798 1.00 0.00 C ATOM 198 NE1 TRP A 17 1.987 -4.918 -2.324 1.00 0.00 N ATOM 199 CE2 TRP A 17 1.155 -5.998 -2.453 1.00 0.00 C ATOM 200 CE3 TRP A 17 -0.124 -7.078 -4.194 1.00 0.00 C ATOM 201 CZ2 TRP A 17 0.734 -6.927 -1.505 1.00 0.00 C ATOM 202 CZ3 TRP A 17 -0.541 -8.000 -3.253 1.00 0.00 C ATOM 203 CH2 TRP A 17 -0.113 -7.919 -1.921 1.00 0.00 C ATOM 0 H TRP A 17 3.776 -5.011 -6.181 1.00 0.00 H new ATOM 0 HA TRP A 17 1.349 -6.560 -6.813 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.650 -3.619 -6.099 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.159 -4.537 -6.176 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.700 -3.416 -3.734 1.00 0.00 H new ATOM 0 HE1 TRP A 17 2.445 -4.623 -1.462 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.461 -7.147 -5.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 1.064 -6.867 -0.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.208 -8.796 -3.549 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.458 -8.654 -1.209 1.00 0.00 H new ATOM 214 N GLY A 18 2.618 -4.074 -8.591 1.00 0.00 N ATOM 215 CA GLY A 18 2.643 -3.512 -9.929 1.00 0.00 C ATOM 216 C GLY A 18 2.228 -2.054 -9.953 1.00 0.00 C ATOM 217 O GLY A 18 2.328 -1.390 -10.986 1.00 0.00 O ATOM 0 H GLY A 18 3.239 -3.617 -7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.648 -3.608 -10.341 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.978 -4.087 -10.574 1.00 0.00 H new ATOM 221 N PHE A 19 1.760 -1.554 -8.815 1.00 0.00 N ATOM 222 CA PHE A 19 1.326 -0.166 -8.710 1.00 0.00 C ATOM 223 C PHE A 19 2.365 0.675 -7.974 1.00 0.00 C ATOM 224 O PHE A 19 3.220 0.143 -7.265 1.00 0.00 O ATOM 225 CB PHE A 19 -0.019 -0.084 -7.986 1.00 0.00 C ATOM 226 CG PHE A 19 0.108 0.001 -6.492 1.00 0.00 C ATOM 227 CD1 PHE A 19 0.315 -1.142 -5.736 1.00 0.00 C ATOM 228 CD2 PHE A 19 0.022 1.222 -5.844 1.00 0.00 C ATOM 229 CE1 PHE A 19 0.431 -1.067 -4.361 1.00 0.00 C ATOM 230 CE2 PHE A 19 0.138 1.303 -4.469 1.00 0.00 C ATOM 231 CZ PHE A 19 0.344 0.157 -3.726 1.00 0.00 C ATOM 0 H PHE A 19 1.671 -2.090 -7.951 1.00 0.00 H new ATOM 0 HA PHE A 19 1.213 0.230 -9.719 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.564 0.789 -8.346 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.615 -0.960 -8.243 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.386 -2.101 -6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.138 2.122 -6.420 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.590 -1.965 -3.783 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.068 2.261 -3.976 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.437 0.218 -2.652 1.00 0.00 H new ATOM 241 N ARG A 20 2.284 1.990 -8.148 1.00 0.00 N ATOM 242 CA ARG A 20 3.218 2.905 -7.502 1.00 0.00 C ATOM 243 C ARG A 20 2.486 3.844 -6.548 1.00 0.00 C ATOM 244 O ARG A 20 1.257 3.829 -6.465 1.00 0.00 O ATOM 245 CB ARG A 20 3.977 3.718 -8.552 1.00 0.00 C ATOM 246 CG ARG A 20 4.367 2.912 -9.781 1.00 0.00 C ATOM 247 CD ARG A 20 5.344 1.800 -9.431 1.00 0.00 C ATOM 248 NE ARG A 20 6.645 2.323 -9.021 1.00 0.00 N ATOM 249 CZ ARG A 20 7.747 1.584 -8.956 1.00 0.00 C ATOM 250 NH1 ARG A 20 7.705 0.297 -9.272 1.00 0.00 N ATOM 251 NH2 ARG A 20 8.893 2.132 -8.574 1.00 0.00 N ATOM 0 H ARG A 20 1.582 2.446 -8.731 1.00 0.00 H new ATOM 0 HA ARG A 20 3.930 2.312 -6.927 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.360 4.562 -8.862 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.878 4.131 -8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.474 2.483 -10.235 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.816 3.572 -10.523 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.928 1.192 -8.628 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.472 1.145 -10.293 1.00 0.00 H new ATOM 0 HE ARG A 20 6.711 3.310 -8.771 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.825 -0.128 -9.566 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.552 -0.268 -9.221 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.929 3.122 -8.330 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.739 1.564 -8.524 1.00 0.00 H new ATOM 265 N LEU A 21 3.249 4.659 -5.828 1.00 0.00 N ATOM 266 CA LEU A 21 2.674 5.605 -4.878 1.00 0.00 C ATOM 267 C LEU A 21 3.315 6.982 -5.025 1.00 0.00 C ATOM 268 O LEU A 21 4.470 7.099 -5.436 1.00 0.00 O ATOM 269 CB LEU A 21 2.855 5.096 -3.447 1.00 0.00 C ATOM 270 CG LEU A 21 4.113 4.268 -3.184 1.00 0.00 C ATOM 271 CD1 LEU A 21 5.360 5.065 -3.533 1.00 0.00 C ATOM 272 CD2 LEU A 21 4.158 3.813 -1.732 1.00 0.00 C ATOM 0 H LEU A 21 4.267 4.684 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 21 1.609 5.695 -5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.862 5.954 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.986 4.493 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 21 4.082 3.384 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.245 4.459 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.333 5.340 -4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.397 5.968 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.060 3.225 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.165 4.685 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.281 3.203 -1.514 1.00 0.00 H new ATOM 284 N SER A 22 2.559 8.020 -4.683 1.00 0.00 N ATOM 285 CA SER A 22 3.053 9.389 -4.778 1.00 0.00 C ATOM 286 C SER A 22 2.344 10.293 -3.775 1.00 0.00 C ATOM 287 O SER A 22 1.152 10.136 -3.514 1.00 0.00 O ATOM 288 CB SER A 22 2.856 9.928 -6.196 1.00 0.00 C ATOM 289 OG SER A 22 3.635 11.091 -6.413 1.00 0.00 O ATOM 0 H SER A 22 1.603 7.939 -4.338 1.00 0.00 H new ATOM 0 HA SER A 22 4.118 9.382 -4.545 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.131 9.162 -6.921 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.803 10.157 -6.358 1.00 0.00 H new ATOM 0 HG SER A 22 3.492 11.414 -7.327 1.00 0.00 H new ATOM 295 N GLY A 23 3.088 11.243 -3.214 1.00 0.00 N ATOM 296 CA GLY A 23 2.514 12.159 -2.246 1.00 0.00 C ATOM 297 C GLY A 23 2.698 11.683 -0.818 1.00 0.00 C ATOM 298 O GLY A 23 3.437 10.733 -0.563 1.00 0.00 O ATOM 0 H GLY A 23 4.077 11.394 -3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.975 13.140 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.450 12.280 -2.451 1.00 0.00 H new ATOM 302 N GLY A 24 2.024 12.346 0.117 1.00 0.00 N ATOM 303 CA GLY A 24 2.132 11.972 1.515 1.00 0.00 C ATOM 304 C GLY A 24 1.650 13.067 2.446 1.00 0.00 C ATOM 305 O GLY A 24 1.963 14.241 2.249 1.00 0.00 O ATOM 0 H GLY A 24 1.405 13.135 -0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.551 11.067 1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.171 11.734 1.745 1.00 0.00 H new ATOM 309 N ILE A 25 0.887 12.682 3.463 1.00 0.00 N ATOM 310 CA ILE A 25 0.361 13.639 4.428 1.00 0.00 C ATOM 311 C ILE A 25 1.417 14.671 4.810 1.00 0.00 C ATOM 312 O ILE A 25 1.100 15.833 5.069 1.00 0.00 O ATOM 313 CB ILE A 25 -0.139 12.936 5.704 1.00 0.00 C ATOM 314 CG1 ILE A 25 0.872 11.882 6.161 1.00 0.00 C ATOM 315 CG2 ILE A 25 -1.500 12.303 5.461 1.00 0.00 C ATOM 316 CD1 ILE A 25 0.662 11.423 7.587 1.00 0.00 C ATOM 0 H ILE A 25 0.619 11.714 3.640 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.479 14.142 3.948 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.242 13.679 6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.811 11.020 5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.878 12.289 6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.840 11.810 6.372 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.215 13.075 5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.422 11.569 4.659 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.414 10.676 7.843 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.752 12.275 8.261 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.332 10.986 7.686 1.00 0.00 H new ATOM 328 N ASP A 26 2.673 14.240 4.842 1.00 0.00 N ATOM 329 CA ASP A 26 3.777 15.127 5.190 1.00 0.00 C ATOM 330 C ASP A 26 4.002 16.169 4.098 1.00 0.00 C ATOM 331 O ASP A 26 4.302 17.328 4.384 1.00 0.00 O ATOM 332 CB ASP A 26 5.057 14.320 5.413 1.00 0.00 C ATOM 333 CG ASP A 26 6.083 15.076 6.234 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.597 16.102 5.742 1.00 0.00 O ATOM 335 OD2 ASP A 26 6.371 14.641 7.368 1.00 0.00 O ATOM 0 H ASP A 26 2.952 13.282 4.631 1.00 0.00 H new ATOM 0 HA ASP A 26 3.517 15.645 6.113 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.810 13.385 5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.490 14.058 4.448 1.00 0.00 H new ATOM 340 N PHE A 27 3.855 15.747 2.846 1.00 0.00 N ATOM 341 CA PHE A 27 4.044 16.643 1.711 1.00 0.00 C ATOM 342 C PHE A 27 2.732 17.323 1.331 1.00 0.00 C ATOM 343 O PHE A 27 2.574 17.809 0.212 1.00 0.00 O ATOM 344 CB PHE A 27 4.598 15.871 0.512 1.00 0.00 C ATOM 345 CG PHE A 27 6.019 15.419 0.695 1.00 0.00 C ATOM 346 CD1 PHE A 27 7.074 16.244 0.338 1.00 0.00 C ATOM 347 CD2 PHE A 27 6.300 14.170 1.224 1.00 0.00 C ATOM 348 CE1 PHE A 27 8.382 15.830 0.504 1.00 0.00 C ATOM 349 CE2 PHE A 27 7.606 13.751 1.393 1.00 0.00 C ATOM 350 CZ PHE A 27 8.648 14.582 1.033 1.00 0.00 C ATOM 0 H PHE A 27 3.606 14.791 2.592 1.00 0.00 H new ATOM 0 HA PHE A 27 4.760 17.412 2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.969 15.000 0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.537 16.501 -0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.872 17.221 -0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.489 13.516 1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.195 16.482 0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.811 12.775 1.806 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.669 14.257 1.165 1.00 0.00 H new ATOM 360 N ASN A 28 1.793 17.351 2.271 1.00 0.00 N ATOM 361 CA ASN A 28 0.494 17.970 2.035 1.00 0.00 C ATOM 362 C ASN A 28 -0.135 17.442 0.748 1.00 0.00 C ATOM 363 O ASN A 28 -0.912 18.138 0.095 1.00 0.00 O ATOM 364 CB ASN A 28 0.636 19.491 1.959 1.00 0.00 C ATOM 365 CG ASN A 28 1.148 20.090 3.255 1.00 0.00 C ATOM 366 OD1 ASN A 28 0.443 20.110 4.263 1.00 0.00 O ATOM 367 ND2 ASN A 28 2.382 20.581 3.233 1.00 0.00 N ATOM 0 H ASN A 28 1.907 16.952 3.203 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.159 17.714 2.870 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.317 19.749 1.148 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.331 19.932 1.715 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.781 20.996 4.075 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.931 20.543 2.374 1.00 0.00 H new ATOM 374 N GLN A 29 0.208 16.208 0.392 1.00 0.00 N ATOM 375 CA GLN A 29 -0.323 15.587 -0.816 1.00 0.00 C ATOM 376 C GLN A 29 -0.879 14.200 -0.515 1.00 0.00 C ATOM 377 O GLN A 29 -0.282 13.409 0.216 1.00 0.00 O ATOM 378 CB GLN A 29 0.766 15.492 -1.886 1.00 0.00 C ATOM 379 CG GLN A 29 0.411 14.562 -3.034 1.00 0.00 C ATOM 380 CD GLN A 29 -0.242 15.289 -4.194 1.00 0.00 C ATOM 381 OE1 GLN A 29 -1.274 14.858 -4.710 1.00 0.00 O ATOM 382 NE2 GLN A 29 0.358 16.398 -4.610 1.00 0.00 N ATOM 0 H GLN A 29 0.850 15.619 0.922 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.135 16.211 -1.189 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.961 16.488 -2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.690 15.147 -1.422 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.314 14.063 -3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.262 13.785 -2.672 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.212 16.718 -4.153 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.035 16.930 -5.387 1.00 0.00 H new ATOM 391 N PRO A 30 -2.052 13.894 -1.091 1.00 0.00 N ATOM 392 CA PRO A 30 -2.715 12.601 -0.900 1.00 0.00 C ATOM 393 C PRO A 30 -1.969 11.460 -1.584 1.00 0.00 C ATOM 394 O PRO A 30 -1.479 11.609 -2.704 1.00 0.00 O ATOM 395 CB PRO A 30 -4.087 12.807 -1.546 1.00 0.00 C ATOM 396 CG PRO A 30 -3.874 13.884 -2.552 1.00 0.00 C ATOM 397 CD PRO A 30 -2.820 14.788 -1.975 1.00 0.00 C ATOM 0 HA PRO A 30 -2.762 12.319 0.152 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.445 11.891 -2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.833 13.098 -0.807 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.551 13.468 -3.506 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.798 14.431 -2.739 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.192 15.221 -2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.261 15.618 -1.423 1.00 0.00 H new ATOM 405 N LEU A 31 -1.888 10.321 -0.905 1.00 0.00 N ATOM 406 CA LEU A 31 -1.202 9.154 -1.448 1.00 0.00 C ATOM 407 C LEU A 31 -1.905 8.644 -2.702 1.00 0.00 C ATOM 408 O LEU A 31 -2.934 7.974 -2.621 1.00 0.00 O ATOM 409 CB LEU A 31 -1.137 8.043 -0.399 1.00 0.00 C ATOM 410 CG LEU A 31 -0.309 8.346 0.850 1.00 0.00 C ATOM 411 CD1 LEU A 31 -0.614 7.342 1.950 1.00 0.00 C ATOM 412 CD2 LEU A 31 1.177 8.343 0.519 1.00 0.00 C ATOM 0 H LEU A 31 -2.289 10.181 0.022 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.188 9.451 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.154 7.805 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.731 7.148 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.579 9.339 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.015 7.574 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.672 7.394 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.374 6.337 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.751 8.561 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.462 7.364 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.383 9.103 -0.235 1.00 0.00 H new ATOM 424 N VAL A 32 -1.341 8.966 -3.862 1.00 0.00 N ATOM 425 CA VAL A 32 -1.911 8.538 -5.134 1.00 0.00 C ATOM 426 C VAL A 32 -0.948 7.631 -5.891 1.00 0.00 C ATOM 427 O VAL A 32 0.234 7.546 -5.555 1.00 0.00 O ATOM 428 CB VAL A 32 -2.269 9.744 -6.023 1.00 0.00 C ATOM 429 CG1 VAL A 32 -3.393 10.555 -5.397 1.00 0.00 C ATOM 430 CG2 VAL A 32 -1.042 10.612 -6.260 1.00 0.00 C ATOM 0 H VAL A 32 -0.490 9.522 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.821 7.984 -4.902 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.616 9.373 -6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.632 11.402 -6.040 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.276 9.926 -5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.078 10.919 -4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.312 11.460 -6.890 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.664 10.976 -5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.270 10.023 -6.755 1.00 0.00 H new ATOM 440 N ILE A 33 -1.461 6.954 -6.913 1.00 0.00 N ATOM 441 CA ILE A 33 -0.645 6.053 -7.718 1.00 0.00 C ATOM 442 C ILE A 33 0.133 6.820 -8.782 1.00 0.00 C ATOM 443 O ILE A 33 -0.414 7.688 -9.464 1.00 0.00 O ATOM 444 CB ILE A 33 -1.506 4.977 -8.405 1.00 0.00 C ATOM 445 CG1 ILE A 33 -2.229 4.126 -7.358 1.00 0.00 C ATOM 446 CG2 ILE A 33 -0.644 4.102 -9.302 1.00 0.00 C ATOM 447 CD1 ILE A 33 -3.277 3.207 -7.945 1.00 0.00 C ATOM 0 H ILE A 33 -2.437 7.012 -7.203 1.00 0.00 H new ATOM 0 HA ILE A 33 0.055 5.568 -7.038 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.254 5.472 -9.024 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.495 3.528 -6.818 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.702 4.785 -6.630 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.267 3.346 -9.780 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.171 4.719 -10.066 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.124 3.613 -8.703 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.748 2.635 -7.146 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.032 3.799 -8.461 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.807 2.523 -8.652 1.00 0.00 H new ATOM 459 N THR A 34 1.414 6.493 -8.920 1.00 0.00 N ATOM 460 CA THR A 34 2.269 7.150 -9.901 1.00 0.00 C ATOM 461 C THR A 34 2.150 6.485 -11.268 1.00 0.00 C ATOM 462 O THR A 34 2.023 7.161 -12.289 1.00 0.00 O ATOM 463 CB THR A 34 3.745 7.133 -9.462 1.00 0.00 C ATOM 464 OG1 THR A 34 4.431 6.046 -10.093 1.00 0.00 O ATOM 465 CG2 THR A 34 3.858 7.001 -7.951 1.00 0.00 C ATOM 0 H THR A 34 1.882 5.777 -8.365 1.00 0.00 H new ATOM 0 HA THR A 34 1.931 8.184 -9.972 1.00 0.00 H new ATOM 0 HB THR A 34 4.202 8.075 -9.764 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.369 6.043 -9.810 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.910 6.991 -7.664 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.360 7.845 -7.474 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.386 6.072 -7.631 1.00 0.00 H new ATOM 473 N ARG A 35 2.190 5.157 -11.280 1.00 0.00 N ATOM 474 CA ARG A 35 2.087 4.400 -12.522 1.00 0.00 C ATOM 475 C ARG A 35 1.445 3.038 -12.277 1.00 0.00 C ATOM 476 O ARG A 35 1.367 2.573 -11.139 1.00 0.00 O ATOM 477 CB ARG A 35 3.470 4.219 -13.150 1.00 0.00 C ATOM 478 CG ARG A 35 4.151 5.528 -13.512 1.00 0.00 C ATOM 479 CD ARG A 35 3.603 6.101 -14.810 1.00 0.00 C ATOM 480 NE ARG A 35 3.943 5.269 -15.962 1.00 0.00 N ATOM 481 CZ ARG A 35 3.167 4.292 -16.417 1.00 0.00 C ATOM 482 NH1 ARG A 35 2.013 4.025 -15.822 1.00 0.00 N ATOM 483 NH2 ARG A 35 3.545 3.580 -17.471 1.00 0.00 N ATOM 0 H ARG A 35 2.293 4.583 -10.443 1.00 0.00 H new ATOM 0 HA ARG A 35 1.454 4.962 -13.209 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.105 3.669 -12.456 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.375 3.608 -14.048 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.009 6.248 -12.706 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.225 5.366 -13.609 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.519 6.193 -14.737 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.999 7.106 -14.959 1.00 0.00 H new ATOM 0 HE ARG A 35 4.824 5.448 -16.443 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.719 4.571 -15.012 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.419 3.274 -16.174 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.432 3.783 -17.932 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.949 2.830 -17.820 1.00 0.00 H new ATOM 497 N ILE A 36 0.986 2.404 -13.351 1.00 0.00 N ATOM 498 CA ILE A 36 0.352 1.096 -13.252 1.00 0.00 C ATOM 499 C ILE A 36 0.905 0.136 -14.300 1.00 0.00 C ATOM 500 O ILE A 36 0.917 0.440 -15.493 1.00 0.00 O ATOM 501 CB ILE A 36 -1.176 1.197 -13.421 1.00 0.00 C ATOM 502 CG1 ILE A 36 -1.791 1.962 -12.247 1.00 0.00 C ATOM 503 CG2 ILE A 36 -1.789 -0.191 -13.534 1.00 0.00 C ATOM 504 CD1 ILE A 36 -1.544 1.310 -10.905 1.00 0.00 C ATOM 0 H ILE A 36 1.042 2.775 -14.299 1.00 0.00 H new ATOM 0 HA ILE A 36 0.575 0.712 -12.257 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.390 1.744 -14.339 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.385 2.974 -12.231 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.866 2.052 -12.406 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.869 -0.103 -13.653 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.369 -0.705 -14.399 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.569 -0.761 -12.631 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.008 1.907 -10.120 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.974 0.309 -10.902 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.471 1.244 -10.724 1.00 0.00 H new ATOM 516 N THR A 37 1.363 -1.027 -13.846 1.00 0.00 N ATOM 517 CA THR A 37 1.917 -2.033 -14.743 1.00 0.00 C ATOM 518 C THR A 37 0.870 -2.519 -15.738 1.00 0.00 C ATOM 519 O THR A 37 -0.169 -3.065 -15.366 1.00 0.00 O ATOM 520 CB THR A 37 2.467 -3.241 -13.962 1.00 0.00 C ATOM 521 OG1 THR A 37 3.337 -2.794 -12.916 1.00 0.00 O ATOM 522 CG2 THR A 37 3.221 -4.185 -14.886 1.00 0.00 C ATOM 0 H THR A 37 1.361 -1.295 -12.862 1.00 0.00 H new ATOM 0 HA THR A 37 2.735 -1.557 -15.284 1.00 0.00 H new ATOM 0 HB THR A 37 1.624 -3.779 -13.528 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.845 -2.199 -12.313 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.600 -5.030 -14.312 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.549 -4.547 -15.664 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.055 -3.655 -15.345 1.00 0.00 H new ATOM 530 N PRO A 38 1.147 -2.319 -17.035 1.00 0.00 N ATOM 531 CA PRO A 38 0.240 -2.732 -18.111 1.00 0.00 C ATOM 532 C PRO A 38 0.169 -4.248 -18.259 1.00 0.00 C ATOM 533 O PRO A 38 1.152 -4.892 -18.622 1.00 0.00 O ATOM 534 CB PRO A 38 0.861 -2.101 -19.360 1.00 0.00 C ATOM 535 CG PRO A 38 2.306 -1.949 -19.029 1.00 0.00 C ATOM 536 CD PRO A 38 2.366 -1.675 -17.552 1.00 0.00 C ATOM 0 HA PRO A 38 -0.786 -2.417 -17.923 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.720 -2.735 -20.236 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.403 -1.138 -19.586 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.861 -2.852 -19.281 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.752 -1.132 -19.596 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.265 -2.096 -17.102 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.375 -0.605 -17.342 1.00 0.00 H new ATOM 544 N GLY A 39 -1.002 -4.811 -17.977 1.00 0.00 N ATOM 545 CA GLY A 39 -1.179 -6.247 -18.085 1.00 0.00 C ATOM 546 C GLY A 39 -0.513 -7.001 -16.951 1.00 0.00 C ATOM 547 O GLY A 39 0.443 -7.746 -17.169 1.00 0.00 O ATOM 0 H GLY A 39 -1.831 -4.298 -17.676 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.244 -6.479 -18.095 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.769 -6.590 -19.035 1.00 0.00 H new ATOM 551 N SER A 40 -1.017 -6.807 -15.737 1.00 0.00 N ATOM 552 CA SER A 40 -0.461 -7.470 -14.563 1.00 0.00 C ATOM 553 C SER A 40 -1.375 -7.292 -13.355 1.00 0.00 C ATOM 554 O SER A 40 -2.468 -6.736 -13.464 1.00 0.00 O ATOM 555 CB SER A 40 0.931 -6.917 -14.251 1.00 0.00 C ATOM 556 OG SER A 40 0.858 -5.846 -13.326 1.00 0.00 O ATOM 0 H SER A 40 -1.810 -6.196 -15.540 1.00 0.00 H new ATOM 0 HA SER A 40 -0.380 -8.535 -14.781 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.558 -7.710 -13.845 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.405 -6.575 -15.171 1.00 0.00 H new ATOM 0 HG SER A 40 1.677 -5.822 -12.788 1.00 0.00 H new ATOM 562 N LYS A 41 -0.918 -7.768 -12.201 1.00 0.00 N ATOM 563 CA LYS A 41 -1.692 -7.662 -10.970 1.00 0.00 C ATOM 564 C LYS A 41 -2.138 -6.223 -10.730 1.00 0.00 C ATOM 565 O LYS A 41 -3.149 -5.978 -10.072 1.00 0.00 O ATOM 566 CB LYS A 41 -0.865 -8.155 -9.780 1.00 0.00 C ATOM 567 CG LYS A 41 -0.290 -9.548 -9.975 1.00 0.00 C ATOM 568 CD LYS A 41 -1.247 -10.620 -9.482 1.00 0.00 C ATOM 569 CE LYS A 41 -0.783 -12.011 -9.889 1.00 0.00 C ATOM 570 NZ LYS A 41 -0.821 -12.197 -11.366 1.00 0.00 N ATOM 0 H LYS A 41 -0.015 -8.231 -12.093 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.579 -8.287 -11.073 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.048 -7.456 -9.601 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.490 -8.151 -8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.075 -9.709 -11.031 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.656 -9.630 -9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.328 -10.565 -8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.242 -10.435 -9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.232 -12.175 -9.528 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.416 -12.759 -9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.816 -13.213 -11.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.685 -11.763 -11.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.012 -11.745 -11.794 1.00 0.00 H new ATOM 584 N ALA A 42 -1.379 -5.275 -11.269 1.00 0.00 N ATOM 585 CA ALA A 42 -1.698 -3.861 -11.116 1.00 0.00 C ATOM 586 C ALA A 42 -2.868 -3.463 -12.010 1.00 0.00 C ATOM 587 O ALA A 42 -3.978 -3.236 -11.531 1.00 0.00 O ATOM 588 CB ALA A 42 -0.479 -3.007 -11.429 1.00 0.00 C ATOM 0 H ALA A 42 -0.538 -5.461 -11.816 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.991 -3.690 -10.080 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.733 -1.954 -11.310 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.331 -3.264 -10.746 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.160 -3.190 -12.455 1.00 0.00 H new ATOM 594 N ALA A 43 -2.611 -3.380 -13.311 1.00 0.00 N ATOM 595 CA ALA A 43 -3.644 -3.011 -14.272 1.00 0.00 C ATOM 596 C ALA A 43 -4.811 -3.992 -14.228 1.00 0.00 C ATOM 597 O ALA A 43 -5.972 -3.587 -14.185 1.00 0.00 O ATOM 598 CB ALA A 43 -3.060 -2.946 -15.675 1.00 0.00 C ATOM 0 H ALA A 43 -1.697 -3.563 -13.724 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.022 -2.025 -14.001 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.842 -2.670 -16.382 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.265 -2.201 -15.704 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.654 -3.921 -15.946 1.00 0.00 H new ATOM 604 N ALA A 44 -4.494 -5.282 -14.239 1.00 0.00 N ATOM 605 CA ALA A 44 -5.516 -6.320 -14.199 1.00 0.00 C ATOM 606 C ALA A 44 -6.478 -6.099 -13.037 1.00 0.00 C ATOM 607 O ALA A 44 -7.571 -6.665 -13.006 1.00 0.00 O ATOM 608 CB ALA A 44 -4.870 -7.694 -14.097 1.00 0.00 C ATOM 0 H ALA A 44 -3.537 -5.633 -14.275 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.088 -6.267 -15.125 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.645 -8.459 -14.068 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.229 -7.860 -14.963 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.272 -7.748 -13.187 1.00 0.00 H new ATOM 614 N ALA A 45 -6.065 -5.272 -12.082 1.00 0.00 N ATOM 615 CA ALA A 45 -6.891 -4.974 -10.918 1.00 0.00 C ATOM 616 C ALA A 45 -7.624 -3.648 -11.090 1.00 0.00 C ATOM 617 O ALA A 45 -8.021 -3.017 -10.111 1.00 0.00 O ATOM 618 CB ALA A 45 -6.039 -4.950 -9.658 1.00 0.00 C ATOM 0 H ALA A 45 -5.163 -4.796 -12.092 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.638 -5.762 -10.822 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.669 -4.726 -8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.567 -5.923 -9.519 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.270 -4.184 -9.754 1.00 0.00 H new ATOM 624 N ASN A 46 -7.798 -3.231 -12.339 1.00 0.00 N ATOM 625 CA ASN A 46 -8.482 -1.978 -12.638 1.00 0.00 C ATOM 626 C ASN A 46 -7.805 -0.807 -11.933 1.00 0.00 C ATOM 627 O ASN A 46 -8.473 0.091 -11.417 1.00 0.00 O ATOM 628 CB ASN A 46 -9.951 -2.062 -12.217 1.00 0.00 C ATOM 629 CG ASN A 46 -10.584 -3.389 -12.589 1.00 0.00 C ATOM 630 OD1 ASN A 46 -10.118 -4.450 -12.173 1.00 0.00 O ATOM 631 ND2 ASN A 46 -11.653 -3.335 -13.375 1.00 0.00 N ATOM 0 H ASN A 46 -7.475 -3.742 -13.161 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.428 -1.811 -13.714 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.026 -1.916 -11.139 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.508 -1.252 -12.688 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.122 -4.195 -13.657 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.005 -2.433 -13.696 1.00 0.00 H new ATOM 638 N LEU A 47 -6.477 -0.821 -11.916 1.00 0.00 N ATOM 639 CA LEU A 47 -5.709 0.240 -11.275 1.00 0.00 C ATOM 640 C LEU A 47 -5.338 1.327 -12.279 1.00 0.00 C ATOM 641 O LEU A 47 -5.260 1.074 -13.482 1.00 0.00 O ATOM 642 CB LEU A 47 -4.442 -0.334 -10.638 1.00 0.00 C ATOM 643 CG LEU A 47 -4.654 -1.262 -9.441 1.00 0.00 C ATOM 644 CD1 LEU A 47 -3.362 -1.982 -9.087 1.00 0.00 C ATOM 645 CD2 LEU A 47 -5.175 -0.479 -8.245 1.00 0.00 C ATOM 0 H LEU A 47 -5.910 -1.556 -12.339 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.330 0.685 -10.498 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.890 -0.881 -11.403 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.810 0.496 -10.321 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.399 -2.010 -9.713 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.533 -2.637 -8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.031 -2.575 -9.939 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.595 -1.250 -8.835 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.320 -1.155 -7.403 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.454 0.291 -7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.125 -0.011 -8.502 1.00 0.00 H new ATOM 657 N CYS A 48 -5.111 2.535 -11.777 1.00 0.00 N ATOM 658 CA CYS A 48 -4.747 3.661 -12.630 1.00 0.00 C ATOM 659 C CYS A 48 -4.035 4.745 -11.827 1.00 0.00 C ATOM 660 O CYS A 48 -4.363 5.011 -10.670 1.00 0.00 O ATOM 661 CB CYS A 48 -5.992 4.242 -13.302 1.00 0.00 C ATOM 662 SG CYS A 48 -5.799 5.951 -13.862 1.00 0.00 S ATOM 0 H CYS A 48 -5.172 2.760 -10.784 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.065 3.297 -13.398 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.255 3.618 -14.156 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.826 4.192 -12.602 1.00 0.00 H new ATOM 0 HG CYS A 48 -6.903 6.353 -14.418 1.00 0.00 H new ATOM 668 N PRO A 49 -3.036 5.385 -12.451 1.00 0.00 N ATOM 669 CA PRO A 49 -2.256 6.449 -11.812 1.00 0.00 C ATOM 670 C PRO A 49 -3.072 7.721 -11.604 1.00 0.00 C ATOM 671 O PRO A 49 -3.328 8.468 -12.548 1.00 0.00 O ATOM 672 CB PRO A 49 -1.119 6.701 -12.805 1.00 0.00 C ATOM 673 CG PRO A 49 -1.663 6.267 -14.123 1.00 0.00 C ATOM 674 CD PRO A 49 -2.591 5.120 -13.830 1.00 0.00 C ATOM 0 HA PRO A 49 -1.916 6.163 -10.817 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.834 7.753 -12.822 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.228 6.133 -12.538 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.194 7.083 -14.614 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.861 5.959 -14.794 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.430 5.094 -14.525 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.081 4.160 -13.910 1.00 0.00 H new ATOM 682 N GLY A 50 -3.478 7.961 -10.361 1.00 0.00 N ATOM 683 CA GLY A 50 -4.261 9.144 -10.052 1.00 0.00 C ATOM 684 C GLY A 50 -5.252 8.906 -8.930 1.00 0.00 C ATOM 685 O GLY A 50 -5.785 9.854 -8.353 1.00 0.00 O ATOM 0 H GLY A 50 -3.279 7.358 -9.563 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.591 9.957 -9.774 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.798 9.464 -10.945 1.00 0.00 H new ATOM 689 N ASP A 51 -5.500 7.638 -8.621 1.00 0.00 N ATOM 690 CA ASP A 51 -6.434 7.279 -7.560 1.00 0.00 C ATOM 691 C ASP A 51 -5.952 7.801 -6.211 1.00 0.00 C ATOM 692 O ASP A 51 -4.750 7.901 -5.966 1.00 0.00 O ATOM 693 CB ASP A 51 -6.611 5.761 -7.500 1.00 0.00 C ATOM 694 CG ASP A 51 -7.713 5.269 -8.418 1.00 0.00 C ATOM 695 OD1 ASP A 51 -8.692 6.016 -8.621 1.00 0.00 O ATOM 696 OD2 ASP A 51 -7.596 4.137 -8.932 1.00 0.00 O ATOM 0 H ASP A 51 -5.068 6.842 -9.090 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.395 7.741 -7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.673 5.278 -7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.836 5.465 -6.476 1.00 0.00 H new ATOM 701 N VAL A 52 -6.898 8.134 -5.338 1.00 0.00 N ATOM 702 CA VAL A 52 -6.570 8.647 -4.013 1.00 0.00 C ATOM 703 C VAL A 52 -6.671 7.550 -2.960 1.00 0.00 C ATOM 704 O VAL A 52 -7.761 7.063 -2.658 1.00 0.00 O ATOM 705 CB VAL A 52 -7.497 9.811 -3.617 1.00 0.00 C ATOM 706 CG1 VAL A 52 -7.389 10.096 -2.127 1.00 0.00 C ATOM 707 CG2 VAL A 52 -7.169 11.054 -4.431 1.00 0.00 C ATOM 0 H VAL A 52 -7.898 8.058 -5.525 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.543 9.010 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.526 9.523 -3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.051 10.921 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.677 9.208 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.361 10.363 -1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.834 11.867 -4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.135 11.347 -4.247 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.303 10.840 -5.491 1.00 0.00 H new ATOM 717 N ILE A 53 -5.527 7.166 -2.402 1.00 0.00 N ATOM 718 CA ILE A 53 -5.487 6.127 -1.380 1.00 0.00 C ATOM 719 C ILE A 53 -6.098 6.619 -0.072 1.00 0.00 C ATOM 720 O ILE A 53 -5.455 7.338 0.694 1.00 0.00 O ATOM 721 CB ILE A 53 -4.046 5.654 -1.115 1.00 0.00 C ATOM 722 CG1 ILE A 53 -3.390 5.189 -2.417 1.00 0.00 C ATOM 723 CG2 ILE A 53 -4.036 4.537 -0.082 1.00 0.00 C ATOM 724 CD1 ILE A 53 -3.635 3.730 -2.728 1.00 0.00 C ATOM 0 H ILE A 53 -4.616 7.559 -2.640 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.072 5.289 -1.759 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.472 6.492 -0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.766 5.796 -3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.316 5.364 -2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.010 4.214 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.467 4.900 0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.623 3.696 -0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.141 3.470 -3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.234 3.114 -1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.706 3.553 -2.821 1.00 0.00 H new ATOM 736 N LEU A 54 -7.342 6.226 0.178 1.00 0.00 N ATOM 737 CA LEU A 54 -8.040 6.625 1.395 1.00 0.00 C ATOM 738 C LEU A 54 -7.511 5.858 2.602 1.00 0.00 C ATOM 739 O LEU A 54 -7.298 6.431 3.670 1.00 0.00 O ATOM 740 CB LEU A 54 -9.544 6.388 1.244 1.00 0.00 C ATOM 741 CG LEU A 54 -10.246 7.200 0.156 1.00 0.00 C ATOM 742 CD1 LEU A 54 -11.517 6.499 -0.298 1.00 0.00 C ATOM 743 CD2 LEU A 54 -10.558 8.603 0.655 1.00 0.00 C ATOM 0 H LEU A 54 -7.888 5.632 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.860 7.688 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.706 5.329 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.023 6.606 2.198 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.575 7.281 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.003 7.092 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.268 5.516 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.193 6.386 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.058 9.167 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.209 8.543 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.631 9.106 0.929 1.00 0.00 H new ATOM 755 N ALA A 55 -7.300 4.558 2.425 1.00 0.00 N ATOM 756 CA ALA A 55 -6.792 3.713 3.498 1.00 0.00 C ATOM 757 C ALA A 55 -5.912 2.595 2.948 1.00 0.00 C ATOM 758 O ALA A 55 -6.146 2.093 1.849 1.00 0.00 O ATOM 759 CB ALA A 55 -7.945 3.131 4.303 1.00 0.00 C ATOM 0 H ALA A 55 -7.473 4.067 1.548 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.180 4.332 4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.551 2.502 5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.532 3.941 4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.580 2.533 3.649 1.00 0.00 H new ATOM 765 N ILE A 56 -4.899 2.212 3.718 1.00 0.00 N ATOM 766 CA ILE A 56 -3.985 1.154 3.307 1.00 0.00 C ATOM 767 C ILE A 56 -4.135 -0.078 4.194 1.00 0.00 C ATOM 768 O ILE A 56 -4.044 0.012 5.418 1.00 0.00 O ATOM 769 CB ILE A 56 -2.520 1.627 3.349 1.00 0.00 C ATOM 770 CG1 ILE A 56 -2.287 2.726 2.310 1.00 0.00 C ATOM 771 CG2 ILE A 56 -1.578 0.457 3.111 1.00 0.00 C ATOM 772 CD1 ILE A 56 -0.951 3.421 2.455 1.00 0.00 C ATOM 0 H ILE A 56 -4.691 2.619 4.630 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.245 0.894 2.281 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.314 2.038 4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.355 2.292 1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.083 3.466 2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.547 0.808 3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.730 -0.296 3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.781 0.019 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.854 4.187 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.887 3.885 3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.148 2.692 2.344 1.00 0.00 H new ATOM 784 N ASP A 57 -4.365 -1.226 3.567 1.00 0.00 N ATOM 785 CA ASP A 57 -4.524 -2.478 4.299 1.00 0.00 C ATOM 786 C ASP A 57 -5.551 -2.326 5.417 1.00 0.00 C ATOM 787 O ASP A 57 -5.450 -2.973 6.459 1.00 0.00 O ATOM 788 CB ASP A 57 -3.183 -2.929 4.879 1.00 0.00 C ATOM 789 CG ASP A 57 -3.232 -4.346 5.416 1.00 0.00 C ATOM 790 OD1 ASP A 57 -4.020 -5.156 4.884 1.00 0.00 O ATOM 791 OD2 ASP A 57 -2.482 -4.645 6.368 1.00 0.00 O ATOM 0 H ASP A 57 -4.446 -1.316 2.554 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.882 -3.235 3.601 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.416 -2.862 4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.890 -2.250 5.680 1.00 0.00 H new ATOM 796 N GLY A 58 -6.540 -1.465 5.193 1.00 0.00 N ATOM 797 CA GLY A 58 -7.570 -1.243 6.191 1.00 0.00 C ATOM 798 C GLY A 58 -7.144 -0.248 7.252 1.00 0.00 C ATOM 799 O GLY A 58 -7.442 -0.424 8.434 1.00 0.00 O ATOM 0 H GLY A 58 -6.646 -0.918 4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.474 -0.882 5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.821 -2.191 6.666 1.00 0.00 H new ATOM 803 N PHE A 59 -6.445 0.801 6.831 1.00 0.00 N ATOM 804 CA PHE A 59 -5.975 1.827 7.754 1.00 0.00 C ATOM 805 C PHE A 59 -5.842 3.174 7.048 1.00 0.00 C ATOM 806 O PHE A 59 -4.951 3.368 6.222 1.00 0.00 O ATOM 807 CB PHE A 59 -4.631 1.421 8.360 1.00 0.00 C ATOM 808 CG PHE A 59 -4.638 0.049 8.970 1.00 0.00 C ATOM 809 CD1 PHE A 59 -5.307 -0.191 10.160 1.00 0.00 C ATOM 810 CD2 PHE A 59 -3.977 -1.002 8.354 1.00 0.00 C ATOM 811 CE1 PHE A 59 -5.315 -1.453 10.724 1.00 0.00 C ATOM 812 CE2 PHE A 59 -3.982 -2.266 8.913 1.00 0.00 C ATOM 813 CZ PHE A 59 -4.653 -2.492 10.099 1.00 0.00 C ATOM 0 H PHE A 59 -6.192 0.963 5.856 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.710 1.926 8.553 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.865 1.461 7.585 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.351 2.148 9.123 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.828 0.617 10.652 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.452 -0.831 7.426 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.838 -1.627 11.653 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.462 -3.076 8.423 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.660 -3.479 10.537 1.00 0.00 H new ATOM 823 N GLY A 60 -6.735 4.101 7.379 1.00 0.00 N ATOM 824 CA GLY A 60 -6.701 5.416 6.768 1.00 0.00 C ATOM 825 C GLY A 60 -5.318 6.035 6.802 1.00 0.00 C ATOM 826 O GLY A 60 -4.544 5.796 7.730 1.00 0.00 O ATOM 0 H GLY A 60 -7.482 3.964 8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.037 5.342 5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.402 6.072 7.285 1.00 0.00 H new ATOM 830 N THR A 61 -5.003 6.834 5.787 1.00 0.00 N ATOM 831 CA THR A 61 -3.703 7.487 5.702 1.00 0.00 C ATOM 832 C THR A 61 -3.755 8.893 6.287 1.00 0.00 C ATOM 833 O THR A 61 -3.122 9.814 5.771 1.00 0.00 O ATOM 834 CB THR A 61 -3.208 7.567 4.245 1.00 0.00 C ATOM 835 OG1 THR A 61 -3.936 8.576 3.536 1.00 0.00 O ATOM 836 CG2 THR A 61 -3.373 6.227 3.543 1.00 0.00 C ATOM 0 H THR A 61 -5.632 7.044 5.012 1.00 0.00 H new ATOM 0 HA THR A 61 -3.007 6.881 6.281 1.00 0.00 H new ATOM 0 HB THR A 61 -2.149 7.824 4.257 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.630 9.462 3.822 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.017 6.308 2.516 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.795 5.467 4.069 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.426 5.945 3.541 1.00 0.00 H new ATOM 844 N GLU A 62 -4.512 9.052 7.368 1.00 0.00 N ATOM 845 CA GLU A 62 -4.646 10.348 8.023 1.00 0.00 C ATOM 846 C GLU A 62 -3.405 10.670 8.850 1.00 0.00 C ATOM 847 O GLU A 62 -3.086 11.836 9.082 1.00 0.00 O ATOM 848 CB GLU A 62 -5.888 10.367 8.917 1.00 0.00 C ATOM 849 CG GLU A 62 -5.846 9.342 10.038 1.00 0.00 C ATOM 850 CD GLU A 62 -6.837 9.648 11.145 1.00 0.00 C ATOM 851 OE1 GLU A 62 -8.013 9.251 11.013 1.00 0.00 O ATOM 852 OE2 GLU A 62 -6.436 10.283 12.142 1.00 0.00 O ATOM 0 H GLU A 62 -5.042 8.300 7.809 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.753 11.108 7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.999 11.361 9.349 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.770 10.186 8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.057 8.354 9.630 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.840 9.307 10.456 1.00 0.00 H new ATOM 859 N SER A 63 -2.709 9.628 9.294 1.00 0.00 N ATOM 860 CA SER A 63 -1.506 9.798 10.099 1.00 0.00 C ATOM 861 C SER A 63 -0.374 8.917 9.578 1.00 0.00 C ATOM 862 O SER A 63 0.575 8.616 10.301 1.00 0.00 O ATOM 863 CB SER A 63 -1.795 9.464 11.563 1.00 0.00 C ATOM 864 OG SER A 63 -2.020 8.075 11.735 1.00 0.00 O ATOM 0 H SER A 63 -2.958 8.656 9.109 1.00 0.00 H new ATOM 0 HA SER A 63 -1.195 10.840 10.026 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.956 9.779 12.184 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.669 10.022 11.901 1.00 0.00 H new ATOM 0 HG SER A 63 -2.201 7.887 12.680 1.00 0.00 H new ATOM 870 N MET A 64 -0.483 8.508 8.318 1.00 0.00 N ATOM 871 CA MET A 64 0.531 7.663 7.699 1.00 0.00 C ATOM 872 C MET A 64 1.236 8.401 6.566 1.00 0.00 C ATOM 873 O MET A 64 0.658 8.621 5.501 1.00 0.00 O ATOM 874 CB MET A 64 -0.102 6.375 7.169 1.00 0.00 C ATOM 875 CG MET A 64 0.625 5.789 5.970 1.00 0.00 C ATOM 876 SD MET A 64 0.301 4.028 5.753 1.00 0.00 S ATOM 877 CE MET A 64 -1.489 4.004 5.816 1.00 0.00 C ATOM 0 H MET A 64 -1.263 8.748 7.706 1.00 0.00 H new ATOM 0 HA MET A 64 1.270 7.410 8.459 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.123 5.634 7.968 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.137 6.575 6.893 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.322 6.324 5.070 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.697 5.945 6.088 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.820 3.185 6.455 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.852 4.949 6.220 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.887 3.863 4.811 1.00 0.00 H new ATOM 887 N THR A 65 2.488 8.781 6.801 1.00 0.00 N ATOM 888 CA THR A 65 3.271 9.495 5.800 1.00 0.00 C ATOM 889 C THR A 65 3.744 8.554 4.698 1.00 0.00 C ATOM 890 O THR A 65 3.666 7.333 4.835 1.00 0.00 O ATOM 891 CB THR A 65 4.495 10.184 6.432 1.00 0.00 C ATOM 892 OG1 THR A 65 5.465 9.204 6.817 1.00 0.00 O ATOM 893 CG2 THR A 65 4.087 11.005 7.646 1.00 0.00 C ATOM 0 H THR A 65 2.982 8.606 7.676 1.00 0.00 H new ATOM 0 HA THR A 65 2.618 10.254 5.370 1.00 0.00 H new ATOM 0 HB THR A 65 4.930 10.853 5.690 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.240 9.651 7.216 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.968 11.482 8.075 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.371 11.770 7.344 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.629 10.352 8.389 1.00 0.00 H new ATOM 901 N HIS A 66 4.235 9.130 3.605 1.00 0.00 N ATOM 902 CA HIS A 66 4.723 8.342 2.479 1.00 0.00 C ATOM 903 C HIS A 66 5.636 7.217 2.958 1.00 0.00 C ATOM 904 O HIS A 66 5.460 6.059 2.581 1.00 0.00 O ATOM 905 CB HIS A 66 5.472 9.235 1.490 1.00 0.00 C ATOM 906 CG HIS A 66 5.512 8.685 0.098 1.00 0.00 C ATOM 907 ND1 HIS A 66 4.377 8.419 -0.639 1.00 0.00 N ATOM 908 CD2 HIS A 66 6.559 8.352 -0.693 1.00 0.00 C ATOM 909 CE1 HIS A 66 4.724 7.945 -1.822 1.00 0.00 C ATOM 910 NE2 HIS A 66 6.043 7.895 -1.881 1.00 0.00 N ATOM 0 H HIS A 66 4.305 10.139 3.475 1.00 0.00 H new ATOM 0 HA HIS A 66 3.862 7.900 1.978 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.000 10.217 1.470 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.493 9.379 1.844 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.605 8.431 -0.437 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.045 7.649 -2.608 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.589 7.570 -2.679 1.00 0.00 H new ATOM 919 N ALA A 67 6.611 7.566 3.791 1.00 0.00 N ATOM 920 CA ALA A 67 7.550 6.586 4.322 1.00 0.00 C ATOM 921 C ALA A 67 6.820 5.477 5.071 1.00 0.00 C ATOM 922 O ALA A 67 7.151 4.299 4.933 1.00 0.00 O ATOM 923 CB ALA A 67 8.562 7.264 5.233 1.00 0.00 C ATOM 0 H ALA A 67 6.771 8.521 4.113 1.00 0.00 H new ATOM 0 HA ALA A 67 8.079 6.134 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.257 6.520 5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.114 8.015 4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.041 7.743 6.062 1.00 0.00 H new ATOM 929 N ASP A 68 5.827 5.860 5.866 1.00 0.00 N ATOM 930 CA ASP A 68 5.050 4.898 6.638 1.00 0.00 C ATOM 931 C ASP A 68 4.317 3.928 5.716 1.00 0.00 C ATOM 932 O ASP A 68 4.236 2.732 5.995 1.00 0.00 O ATOM 933 CB ASP A 68 4.047 5.623 7.537 1.00 0.00 C ATOM 934 CG ASP A 68 4.699 6.216 8.770 1.00 0.00 C ATOM 935 OD1 ASP A 68 5.895 6.570 8.697 1.00 0.00 O ATOM 936 OD2 ASP A 68 4.014 6.328 9.808 1.00 0.00 O ATOM 0 H ASP A 68 5.541 6.831 5.993 1.00 0.00 H new ATOM 0 HA ASP A 68 5.739 4.329 7.262 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.562 6.417 6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.266 4.926 7.842 1.00 0.00 H new ATOM 941 N ALA A 69 3.782 4.452 4.618 1.00 0.00 N ATOM 942 CA ALA A 69 3.057 3.633 3.656 1.00 0.00 C ATOM 943 C ALA A 69 3.918 2.476 3.160 1.00 0.00 C ATOM 944 O ALA A 69 3.432 1.358 2.988 1.00 0.00 O ATOM 945 CB ALA A 69 2.588 4.484 2.485 1.00 0.00 C ATOM 0 H ALA A 69 3.837 5.441 4.373 1.00 0.00 H new ATOM 0 HA ALA A 69 2.185 3.213 4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.048 3.859 1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.929 5.272 2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.451 4.932 1.992 1.00 0.00 H new ATOM 951 N GLN A 70 5.198 2.753 2.931 1.00 0.00 N ATOM 952 CA GLN A 70 6.125 1.734 2.453 1.00 0.00 C ATOM 953 C GLN A 70 6.206 0.569 3.433 1.00 0.00 C ATOM 954 O GLN A 70 6.391 -0.581 3.033 1.00 0.00 O ATOM 955 CB GLN A 70 7.515 2.338 2.244 1.00 0.00 C ATOM 956 CG GLN A 70 7.510 3.593 1.386 1.00 0.00 C ATOM 957 CD GLN A 70 7.439 3.286 -0.097 1.00 0.00 C ATOM 958 OE1 GLN A 70 7.321 2.128 -0.498 1.00 0.00 O ATOM 959 NE2 GLN A 70 7.512 4.325 -0.921 1.00 0.00 N ATOM 0 H GLN A 70 5.616 3.673 3.069 1.00 0.00 H new ATOM 0 HA GLN A 70 5.753 1.358 1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.949 2.574 3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.160 1.592 1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.660 4.216 1.665 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.411 4.172 1.591 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.609 5.268 -0.545 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.471 4.180 -1.930 1.00 0.00 H new ATOM 968 N ASP A 71 6.068 0.873 4.719 1.00 0.00 N ATOM 969 CA ASP A 71 6.125 -0.149 5.757 1.00 0.00 C ATOM 970 C ASP A 71 4.823 -0.944 5.810 1.00 0.00 C ATOM 971 O ASP A 71 4.747 -1.986 6.460 1.00 0.00 O ATOM 972 CB ASP A 71 6.402 0.491 7.119 1.00 0.00 C ATOM 973 CG ASP A 71 7.884 0.592 7.420 1.00 0.00 C ATOM 974 OD1 ASP A 71 8.670 0.794 6.471 1.00 0.00 O ATOM 975 OD2 ASP A 71 8.258 0.471 8.605 1.00 0.00 O ATOM 0 H ASP A 71 5.916 1.820 5.067 1.00 0.00 H new ATOM 0 HA ASP A 71 6.938 -0.833 5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.960 1.487 7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.915 -0.095 7.898 1.00 0.00 H new ATOM 980 N ARG A 72 3.802 -0.442 5.123 1.00 0.00 N ATOM 981 CA ARG A 72 2.503 -1.104 5.093 1.00 0.00 C ATOM 982 C ARG A 72 2.350 -1.944 3.829 1.00 0.00 C ATOM 983 O ARG A 72 1.733 -3.010 3.851 1.00 0.00 O ATOM 984 CB ARG A 72 1.379 -0.070 5.171 1.00 0.00 C ATOM 985 CG ARG A 72 1.085 0.406 6.585 1.00 0.00 C ATOM 986 CD ARG A 72 0.060 -0.485 7.270 1.00 0.00 C ATOM 987 NE ARG A 72 -0.079 -0.168 8.689 1.00 0.00 N ATOM 988 CZ ARG A 72 0.744 -0.623 9.627 1.00 0.00 C ATOM 989 NH1 ARG A 72 1.759 -1.410 9.299 1.00 0.00 N ATOM 990 NH2 ARG A 72 0.552 -0.290 10.897 1.00 0.00 N ATOM 0 H ARG A 72 3.849 0.420 4.580 1.00 0.00 H new ATOM 0 HA ARG A 72 2.440 -1.765 5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.644 0.789 4.555 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.472 -0.499 4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.007 0.415 7.166 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.716 1.431 6.556 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.906 -0.372 6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.355 -1.529 7.159 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.850 0.436 8.975 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.910 -1.668 8.324 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.389 -1.758 10.022 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.228 0.316 11.153 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.184 -0.640 11.617 1.00 0.00 H new ATOM 1004 N ILE A 73 2.913 -1.456 2.729 1.00 0.00 N ATOM 1005 CA ILE A 73 2.839 -2.162 1.456 1.00 0.00 C ATOM 1006 C ILE A 73 3.868 -3.286 1.390 1.00 0.00 C ATOM 1007 O ILE A 73 3.599 -4.358 0.848 1.00 0.00 O ATOM 1008 CB ILE A 73 3.062 -1.207 0.268 1.00 0.00 C ATOM 1009 CG1 ILE A 73 1.965 -0.141 0.230 1.00 0.00 C ATOM 1010 CG2 ILE A 73 3.098 -1.986 -1.038 1.00 0.00 C ATOM 1011 CD1 ILE A 73 2.336 1.078 -0.585 1.00 0.00 C ATOM 0 H ILE A 73 3.425 -0.575 2.694 1.00 0.00 H new ATOM 0 HA ILE A 73 1.837 -2.585 1.388 1.00 0.00 H new ATOM 0 HB ILE A 73 4.022 -0.708 0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.056 -0.581 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.736 0.169 1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.256 -1.298 -1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.912 -2.710 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.152 -2.509 -1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.512 1.792 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.227 1.542 -0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.537 0.780 -1.614 1.00 0.00 H new ATOM 1023 N LYS A 74 5.047 -3.035 1.947 1.00 0.00 N ATOM 1024 CA LYS A 74 6.117 -4.026 1.956 1.00 0.00 C ATOM 1025 C LYS A 74 5.775 -5.188 2.882 1.00 0.00 C ATOM 1026 O LYS A 74 6.048 -6.346 2.568 1.00 0.00 O ATOM 1027 CB LYS A 74 7.434 -3.381 2.394 1.00 0.00 C ATOM 1028 CG LYS A 74 7.541 -3.177 3.895 1.00 0.00 C ATOM 1029 CD LYS A 74 8.789 -2.392 4.263 1.00 0.00 C ATOM 1030 CE LYS A 74 10.039 -3.252 4.163 1.00 0.00 C ATOM 1031 NZ LYS A 74 11.282 -2.437 4.250 1.00 0.00 N ATOM 0 H LYS A 74 5.287 -2.153 2.399 1.00 0.00 H new ATOM 0 HA LYS A 74 6.228 -4.413 0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.263 -4.005 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.540 -2.417 1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.658 -2.649 4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.559 -4.146 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.886 -1.530 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.692 -2.007 5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.034 -3.993 4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.029 -3.799 3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.111 -3.060 4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.299 -1.746 3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.305 -1.935 5.160 1.00 0.00 H new ATOM 1045 N ALA A 75 5.174 -4.871 4.025 1.00 0.00 N ATOM 1046 CA ALA A 75 4.792 -5.889 4.995 1.00 0.00 C ATOM 1047 C ALA A 75 3.352 -6.343 4.776 1.00 0.00 C ATOM 1048 O ALA A 75 2.759 -6.994 5.636 1.00 0.00 O ATOM 1049 CB ALA A 75 4.972 -5.363 6.411 1.00 0.00 C ATOM 0 H ALA A 75 4.942 -3.917 4.301 1.00 0.00 H new ATOM 0 HA ALA A 75 5.443 -6.752 4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.683 -6.134 7.125 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.017 -5.095 6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.346 -4.482 6.554 1.00 0.00 H new ATOM 1055 N ALA A 76 2.796 -5.993 3.621 1.00 0.00 N ATOM 1056 CA ALA A 76 1.426 -6.366 3.289 1.00 0.00 C ATOM 1057 C ALA A 76 1.215 -7.869 3.439 1.00 0.00 C ATOM 1058 O ALA A 76 2.111 -8.591 3.875 1.00 0.00 O ATOM 1059 CB ALA A 76 1.086 -5.921 1.874 1.00 0.00 C ATOM 0 H ALA A 76 3.273 -5.452 2.900 1.00 0.00 H new ATOM 0 HA ALA A 76 0.758 -5.861 3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.060 -6.206 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.188 -4.838 1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.766 -6.399 1.169 1.00 0.00 H new ATOM 1065 N SER A 77 0.024 -8.333 3.075 1.00 0.00 N ATOM 1066 CA SER A 77 -0.307 -9.750 3.173 1.00 0.00 C ATOM 1067 C SER A 77 -0.589 -10.339 1.794 1.00 0.00 C ATOM 1068 O SER A 77 -0.571 -9.629 0.788 1.00 0.00 O ATOM 1069 CB SER A 77 -1.521 -9.950 4.083 1.00 0.00 C ATOM 1070 OG SER A 77 -1.235 -9.545 5.410 1.00 0.00 O ATOM 0 H SER A 77 -0.728 -7.749 2.710 1.00 0.00 H new ATOM 0 HA SER A 77 0.550 -10.269 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.366 -9.378 3.699 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.816 -10.999 4.075 1.00 0.00 H new ATOM 0 HG SER A 77 -2.027 -9.681 5.971 1.00 0.00 H new ATOM 1076 N TYR A 78 -0.848 -11.641 1.755 1.00 0.00 N ATOM 1077 CA TYR A 78 -1.131 -12.327 0.500 1.00 0.00 C ATOM 1078 C TYR A 78 -1.972 -11.450 -0.423 1.00 0.00 C ATOM 1079 O TYR A 78 -1.913 -11.583 -1.645 1.00 0.00 O ATOM 1080 CB TYR A 78 -1.857 -13.647 0.769 1.00 0.00 C ATOM 1081 CG TYR A 78 -2.661 -14.146 -0.410 1.00 0.00 C ATOM 1082 CD1 TYR A 78 -2.090 -14.981 -1.363 1.00 0.00 C ATOM 1083 CD2 TYR A 78 -3.993 -13.784 -0.570 1.00 0.00 C ATOM 1084 CE1 TYR A 78 -2.821 -15.439 -2.442 1.00 0.00 C ATOM 1085 CE2 TYR A 78 -4.732 -14.239 -1.646 1.00 0.00 C ATOM 1086 CZ TYR A 78 -4.142 -15.065 -2.579 1.00 0.00 C ATOM 1087 OH TYR A 78 -4.873 -15.520 -3.651 1.00 0.00 O ATOM 0 H TYR A 78 -0.868 -12.243 2.578 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.181 -12.536 0.007 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.124 -14.405 1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.522 -13.519 1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.057 -15.277 -1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.459 -13.137 0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.361 -16.086 -3.174 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.767 -13.949 -1.755 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.785 -15.166 -3.599 1.00 0.00 H new ATOM 1097 N GLN A 79 -2.753 -10.555 0.172 1.00 0.00 N ATOM 1098 CA GLN A 79 -3.606 -9.656 -0.596 1.00 0.00 C ATOM 1099 C GLN A 79 -3.506 -8.228 -0.069 1.00 0.00 C ATOM 1100 O GLN A 79 -3.556 -7.996 1.140 1.00 0.00 O ATOM 1101 CB GLN A 79 -5.059 -10.130 -0.545 1.00 0.00 C ATOM 1102 CG GLN A 79 -5.642 -10.156 0.858 1.00 0.00 C ATOM 1103 CD GLN A 79 -7.142 -10.376 0.863 1.00 0.00 C ATOM 1104 OE1 GLN A 79 -7.619 -11.484 0.615 1.00 0.00 O ATOM 1105 NE2 GLN A 79 -7.895 -9.320 1.146 1.00 0.00 N ATOM 0 H GLN A 79 -2.813 -10.433 1.183 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.264 -9.667 -1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.668 -9.477 -1.170 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.121 -11.130 -0.974 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.161 -10.947 1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.415 -9.215 1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.458 -8.420 1.345 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.911 -9.408 1.164 1.00 0.00 H new ATOM 1114 N LEU A 80 -3.364 -7.274 -0.982 1.00 0.00 N ATOM 1115 CA LEU A 80 -3.257 -5.868 -0.609 1.00 0.00 C ATOM 1116 C LEU A 80 -4.608 -5.169 -0.724 1.00 0.00 C ATOM 1117 O LEU A 80 -5.198 -5.111 -1.804 1.00 0.00 O ATOM 1118 CB LEU A 80 -2.228 -5.162 -1.495 1.00 0.00 C ATOM 1119 CG LEU A 80 -1.847 -3.741 -1.078 1.00 0.00 C ATOM 1120 CD1 LEU A 80 -1.074 -3.758 0.231 1.00 0.00 C ATOM 1121 CD2 LEU A 80 -1.032 -3.065 -2.172 1.00 0.00 C ATOM 0 H LEU A 80 -3.320 -7.448 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.930 -5.817 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.322 -5.768 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.616 -5.129 -2.513 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.763 -3.169 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.811 -2.738 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.691 -4.202 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.164 -4.346 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.769 -2.055 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.122 -3.637 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.620 -3.019 -3.088 1.00 0.00 H new ATOM 1133 N CYS A 81 -5.091 -4.639 0.394 1.00 0.00 N ATOM 1134 CA CYS A 81 -6.373 -3.943 0.418 1.00 0.00 C ATOM 1135 C CYS A 81 -6.170 -2.431 0.432 1.00 0.00 C ATOM 1136 O CYS A 81 -5.776 -1.856 1.447 1.00 0.00 O ATOM 1137 CB CYS A 81 -7.186 -4.371 1.641 1.00 0.00 C ATOM 1138 SG CYS A 81 -8.975 -4.210 1.431 1.00 0.00 S ATOM 0 H CYS A 81 -4.615 -4.678 1.295 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.921 -4.210 -0.486 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -6.950 -5.409 1.875 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -6.876 -3.772 2.498 1.00 0.00 H new ATOM 0 HG CYS A 81 -9.576 -4.598 2.517 1.00 0.00 H new ATOM 1144 N LEU A 82 -6.440 -1.794 -0.702 1.00 0.00 N ATOM 1145 CA LEU A 82 -6.286 -0.348 -0.822 1.00 0.00 C ATOM 1146 C LEU A 82 -7.623 0.318 -1.130 1.00 0.00 C ATOM 1147 O LEU A 82 -8.355 -0.115 -2.020 1.00 0.00 O ATOM 1148 CB LEU A 82 -5.272 -0.013 -1.917 1.00 0.00 C ATOM 1149 CG LEU A 82 -3.902 -0.680 -1.790 1.00 0.00 C ATOM 1150 CD1 LEU A 82 -3.135 -0.577 -3.099 1.00 0.00 C ATOM 1151 CD2 LEU A 82 -3.107 -0.054 -0.654 1.00 0.00 C ATOM 0 H LEU A 82 -6.766 -2.255 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.922 0.035 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.701 -0.291 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.128 1.067 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.053 -1.735 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.163 -1.057 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.697 -1.073 -3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.994 0.473 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.135 -0.541 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.966 1.009 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.650 -0.180 0.283 1.00 0.00 H new ATOM 1163 N LYS A 83 -7.935 1.376 -0.390 1.00 0.00 N ATOM 1164 CA LYS A 83 -9.182 2.107 -0.585 1.00 0.00 C ATOM 1165 C LYS A 83 -8.974 3.302 -1.510 1.00 0.00 C ATOM 1166 O LYS A 83 -7.955 3.988 -1.432 1.00 0.00 O ATOM 1167 CB LYS A 83 -9.736 2.580 0.761 1.00 0.00 C ATOM 1168 CG LYS A 83 -11.195 2.999 0.704 1.00 0.00 C ATOM 1169 CD LYS A 83 -12.122 1.838 1.022 1.00 0.00 C ATOM 1170 CE LYS A 83 -13.388 2.310 1.720 1.00 0.00 C ATOM 1171 NZ LYS A 83 -13.144 2.636 3.152 1.00 0.00 N ATOM 0 H LYS A 83 -7.341 1.747 0.351 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.901 1.432 -1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.625 1.779 1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.139 3.420 1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.370 3.809 1.412 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.424 3.387 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.385 1.319 0.101 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.602 1.119 1.656 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.778 3.190 1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.152 1.536 1.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.044 2.888 3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.732 1.810 3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.485 3.438 3.218 1.00 0.00 H new ATOM 1185 N ILE A 84 -9.946 3.545 -2.383 1.00 0.00 N ATOM 1186 CA ILE A 84 -9.869 4.659 -3.320 1.00 0.00 C ATOM 1187 C ILE A 84 -11.166 5.461 -3.327 1.00 0.00 C ATOM 1188 O ILE A 84 -12.245 4.918 -3.091 1.00 0.00 O ATOM 1189 CB ILE A 84 -9.571 4.172 -4.750 1.00 0.00 C ATOM 1190 CG1 ILE A 84 -10.578 3.098 -5.167 1.00 0.00 C ATOM 1191 CG2 ILE A 84 -8.150 3.638 -4.842 1.00 0.00 C ATOM 1192 CD1 ILE A 84 -11.800 3.653 -5.864 1.00 0.00 C ATOM 0 H ILE A 84 -10.795 2.986 -2.461 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.052 5.298 -2.985 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.666 5.016 -5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.084 2.386 -5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.894 2.545 -4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.954 3.298 -5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.447 4.429 -4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.029 2.804 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -12.470 2.835 -6.131 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -12.317 4.343 -5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.495 4.181 -6.767 1.00 0.00 H new ATOM 1204 N ASP A 85 -11.053 6.756 -3.602 1.00 0.00 N ATOM 1205 CA ASP A 85 -12.217 7.633 -3.644 1.00 0.00 C ATOM 1206 C ASP A 85 -12.574 7.994 -5.083 1.00 0.00 C ATOM 1207 O ASP A 85 -13.002 9.113 -5.365 1.00 0.00 O ATOM 1208 CB ASP A 85 -11.952 8.905 -2.837 1.00 0.00 C ATOM 1209 CG ASP A 85 -13.229 9.646 -2.490 1.00 0.00 C ATOM 1210 OD1 ASP A 85 -14.150 9.669 -3.333 1.00 0.00 O ATOM 1211 OD2 ASP A 85 -13.307 10.202 -1.374 1.00 0.00 O ATOM 0 H ASP A 85 -10.167 7.221 -3.799 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.059 7.100 -3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.424 8.646 -1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.296 9.564 -3.407 1.00 0.00 H new ATOM 1216 N ARG A 86 -12.395 7.038 -5.989 1.00 0.00 N ATOM 1217 CA ARG A 86 -12.696 7.256 -7.399 1.00 0.00 C ATOM 1218 C ARG A 86 -12.390 8.695 -7.804 1.00 0.00 C ATOM 1219 O ARG A 86 -13.210 9.359 -8.437 1.00 0.00 O ATOM 1220 CB ARG A 86 -14.164 6.935 -7.684 1.00 0.00 C ATOM 1221 CG ARG A 86 -15.139 7.813 -6.917 1.00 0.00 C ATOM 1222 CD ARG A 86 -16.441 8.000 -7.681 1.00 0.00 C ATOM 1223 NE ARG A 86 -17.204 9.144 -7.191 1.00 0.00 N ATOM 1224 CZ ARG A 86 -18.259 9.649 -7.822 1.00 0.00 C ATOM 1225 NH1 ARG A 86 -18.674 9.112 -8.961 1.00 0.00 N ATOM 1226 NH2 ARG A 86 -18.902 10.692 -7.313 1.00 0.00 N ATOM 0 H ARG A 86 -12.043 6.106 -5.772 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.065 6.590 -7.987 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.351 7.046 -8.752 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -14.354 5.891 -7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -15.347 7.365 -5.946 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -14.684 8.785 -6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -16.223 8.137 -8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -17.045 7.097 -7.594 1.00 0.00 H new ATOM 0 HE ARG A 86 -16.911 9.580 -6.316 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -18.183 8.309 -9.355 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -19.484 9.502 -9.443 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -18.587 11.107 -6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -19.712 11.079 -7.798 1.00 0.00 H new ATOM 1240 N ALA A 87 -11.205 9.169 -7.435 1.00 0.00 N ATOM 1241 CA ALA A 87 -10.791 10.528 -7.761 1.00 0.00 C ATOM 1242 C ALA A 87 -10.587 10.694 -9.263 1.00 0.00 C ATOM 1243 O ALA A 87 -9.622 10.180 -9.828 1.00 0.00 O ATOM 1244 CB ALA A 87 -9.516 10.885 -7.011 1.00 0.00 C ATOM 0 H ALA A 87 -10.515 8.632 -6.910 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.585 11.208 -7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.218 11.903 -7.264 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.693 10.815 -5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -8.722 10.194 -7.293 1.00 0.00 H new ATOM 1250 N GLU A 88 -11.502 11.414 -9.904 1.00 0.00 N ATOM 1251 CA GLU A 88 -11.423 11.646 -11.341 1.00 0.00 C ATOM 1252 C GLU A 88 -10.552 12.861 -11.649 1.00 0.00 C ATOM 1253 O GLU A 88 -9.728 12.834 -12.564 1.00 0.00 O ATOM 1254 CB GLU A 88 -12.822 11.845 -11.926 1.00 0.00 C ATOM 1255 CG GLU A 88 -13.578 13.011 -11.312 1.00 0.00 C ATOM 1256 CD GLU A 88 -14.948 13.209 -11.931 1.00 0.00 C ATOM 1257 OE1 GLU A 88 -15.014 13.672 -13.089 1.00 0.00 O ATOM 1258 OE2 GLU A 88 -15.954 12.903 -11.257 1.00 0.00 O ATOM 0 H GLU A 88 -12.307 11.847 -9.451 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.967 10.769 -11.800 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.738 12.003 -13.001 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.400 10.932 -11.782 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.688 12.844 -10.241 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.993 13.923 -11.434 1.00 0.00 H new ATOM 1265 N THR A 89 -10.742 13.927 -10.878 1.00 0.00 N ATOM 1266 CA THR A 89 -9.977 15.153 -11.069 1.00 0.00 C ATOM 1267 C THR A 89 -9.302 15.587 -9.772 1.00 0.00 C ATOM 1268 O THR A 89 -8.480 16.504 -9.766 1.00 0.00 O ATOM 1269 CB THR A 89 -10.870 16.300 -11.578 1.00 0.00 C ATOM 1270 OG1 THR A 89 -11.819 15.798 -12.526 1.00 0.00 O ATOM 1271 CG2 THR A 89 -10.032 17.394 -12.222 1.00 0.00 C ATOM 0 H THR A 89 -11.419 13.966 -10.116 1.00 0.00 H new ATOM 0 HA THR A 89 -9.215 14.936 -11.818 1.00 0.00 H new ATOM 0 HB THR A 89 -11.399 16.725 -10.725 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.384 16.533 -12.844 1.00 0.00 H new ATOM 0 HG21 THR A 89 -10.685 18.193 -12.574 1.00 0.00 H new ATOM 0 HG22 THR A 89 -9.331 17.794 -11.489 1.00 0.00 H new ATOM 0 HG23 THR A 89 -9.479 16.980 -13.065 1.00 0.00 H new ATOM 1279 N ARG A 90 -9.654 14.922 -8.676 1.00 0.00 N ATOM 1280 CA ARG A 90 -9.082 15.240 -7.374 1.00 0.00 C ATOM 1281 C ARG A 90 -9.126 16.743 -7.112 1.00 0.00 C ATOM 1282 O ARG A 90 -8.128 17.344 -6.712 1.00 0.00 O ATOM 1283 CB ARG A 90 -7.639 14.740 -7.290 1.00 0.00 C ATOM 1284 CG ARG A 90 -7.526 13.242 -7.054 1.00 0.00 C ATOM 1285 CD ARG A 90 -6.075 12.789 -7.034 1.00 0.00 C ATOM 1286 NE ARG A 90 -5.430 12.963 -8.333 1.00 0.00 N ATOM 1287 CZ ARG A 90 -4.866 14.099 -8.728 1.00 0.00 C ATOM 1288 NH1 ARG A 90 -4.867 15.156 -7.928 1.00 0.00 N ATOM 1289 NH2 ARG A 90 -4.298 14.179 -9.924 1.00 0.00 N ATOM 0 H ARG A 90 -10.332 14.160 -8.664 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.678 14.738 -6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.121 14.994 -8.215 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.128 15.266 -6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.002 12.985 -6.108 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.064 12.708 -7.837 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.529 13.355 -6.279 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.027 11.740 -6.743 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.412 12.168 -8.972 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.301 15.098 -7.007 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.433 16.027 -8.233 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.294 13.367 -10.542 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.865 15.052 -10.226 1.00 0.00 H new ATOM 1303 N LEU A 91 -10.288 17.344 -7.343 1.00 0.00 N ATOM 1304 CA LEU A 91 -10.463 18.777 -7.133 1.00 0.00 C ATOM 1305 C LEU A 91 -10.966 19.064 -5.722 1.00 0.00 C ATOM 1306 O LEU A 91 -11.577 18.206 -5.084 1.00 0.00 O ATOM 1307 CB LEU A 91 -11.441 19.348 -8.161 1.00 0.00 C ATOM 1308 CG LEU A 91 -11.488 20.872 -8.270 1.00 0.00 C ATOM 1309 CD1 LEU A 91 -10.335 21.382 -9.121 1.00 0.00 C ATOM 1310 CD2 LEU A 91 -12.821 21.325 -8.848 1.00 0.00 C ATOM 0 H LEU A 91 -11.123 16.862 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.493 19.258 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -11.186 18.942 -9.140 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -12.442 18.990 -7.918 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.388 21.292 -7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.385 22.469 -9.187 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.389 21.089 -8.665 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.404 20.954 -10.121 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.836 22.413 -8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -12.952 20.895 -9.841 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -13.631 20.992 -8.199 1.00 0.00 H new ATOM 1322 N TRP A 92 -10.707 20.275 -5.242 1.00 0.00 N ATOM 1323 CA TRP A 92 -11.135 20.675 -3.906 1.00 0.00 C ATOM 1324 C TRP A 92 -12.485 20.056 -3.560 1.00 0.00 C ATOM 1325 O TRP A 92 -13.534 20.590 -3.921 1.00 0.00 O ATOM 1326 CB TRP A 92 -11.219 22.199 -3.811 1.00 0.00 C ATOM 1327 CG TRP A 92 -11.196 22.708 -2.401 1.00 0.00 C ATOM 1328 CD1 TRP A 92 -11.762 22.118 -1.307 1.00 0.00 C ATOM 1329 CD2 TRP A 92 -10.575 23.911 -1.935 1.00 0.00 C ATOM 1330 NE1 TRP A 92 -11.532 22.883 -0.189 1.00 0.00 N ATOM 1331 CE2 TRP A 92 -10.805 23.987 -0.547 1.00 0.00 C ATOM 1332 CE3 TRP A 92 -9.847 24.931 -2.554 1.00 0.00 C ATOM 1333 CZ2 TRP A 92 -10.333 25.043 0.228 1.00 0.00 C ATOM 1334 CZ3 TRP A 92 -9.379 25.978 -1.783 1.00 0.00 C ATOM 1335 CH2 TRP A 92 -9.623 26.027 -0.404 1.00 0.00 C ATOM 0 H TRP A 92 -10.203 20.997 -5.757 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.396 20.314 -3.190 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -10.386 22.637 -4.361 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -12.135 22.536 -4.297 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -12.310 21.187 -1.319 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -11.851 22.664 0.755 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -9.654 24.901 -3.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -10.521 25.084 1.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -8.816 26.772 -2.251 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -9.243 26.858 0.171 1.00 0.00 H new ATOM 1346 N SER A 93 -12.452 18.928 -2.857 1.00 0.00 N ATOM 1347 CA SER A 93 -13.673 18.236 -2.465 1.00 0.00 C ATOM 1348 C SER A 93 -13.411 17.292 -1.295 1.00 0.00 C ATOM 1349 O SER A 93 -12.353 16.671 -1.190 1.00 0.00 O ATOM 1350 CB SER A 93 -14.243 17.452 -3.649 1.00 0.00 C ATOM 1351 OG SER A 93 -15.298 16.601 -3.237 1.00 0.00 O ATOM 0 H SER A 93 -11.592 18.474 -2.548 1.00 0.00 H new ATOM 0 HA SER A 93 -14.400 18.985 -2.150 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.606 18.146 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.453 16.860 -4.111 1.00 0.00 H new ATOM 0 HG SER A 93 -15.646 16.113 -4.012 1.00 0.00 H new ATOM 1357 N PRO A 94 -14.398 17.180 -0.394 1.00 0.00 N ATOM 1358 CA PRO A 94 -14.299 16.314 0.785 1.00 0.00 C ATOM 1359 C PRO A 94 -14.331 14.834 0.421 1.00 0.00 C ATOM 1360 O PRO A 94 -14.563 14.474 -0.733 1.00 0.00 O ATOM 1361 CB PRO A 94 -15.535 16.690 1.606 1.00 0.00 C ATOM 1362 CG PRO A 94 -16.508 17.214 0.607 1.00 0.00 C ATOM 1363 CD PRO A 94 -15.686 17.890 -0.456 1.00 0.00 C ATOM 0 HA PRO A 94 -13.358 16.455 1.317 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -15.937 15.826 2.135 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -15.297 17.442 2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -17.106 16.407 0.184 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -17.202 17.916 1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -16.148 17.800 -1.439 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.568 18.955 -0.256 1.00 0.00 H new ATOM 1371 N GLN A 95 -14.097 13.980 1.412 1.00 0.00 N ATOM 1372 CA GLN A 95 -14.099 12.538 1.194 1.00 0.00 C ATOM 1373 C GLN A 95 -15.477 11.948 1.474 1.00 0.00 C ATOM 1374 O GLN A 95 -15.760 11.503 2.586 1.00 0.00 O ATOM 1375 CB GLN A 95 -13.053 11.865 2.085 1.00 0.00 C ATOM 1376 CG GLN A 95 -12.908 12.515 3.451 1.00 0.00 C ATOM 1377 CD GLN A 95 -12.036 13.755 3.418 1.00 0.00 C ATOM 1378 OE1 GLN A 95 -10.909 13.722 2.923 1.00 0.00 O ATOM 1379 NE2 GLN A 95 -12.554 14.858 3.946 1.00 0.00 N ATOM 0 H GLN A 95 -13.904 14.261 2.373 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.849 12.353 0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.321 10.817 2.217 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.088 11.886 1.578 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.895 12.780 3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.482 11.794 4.149 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.492 14.840 4.346 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.014 15.723 3.952 1.00 0.00 H new ATOM 1388 N VAL A 96 -16.332 11.947 0.456 1.00 0.00 N ATOM 1389 CA VAL A 96 -17.681 11.410 0.591 1.00 0.00 C ATOM 1390 C VAL A 96 -17.681 9.889 0.488 1.00 0.00 C ATOM 1391 O VAL A 96 -18.681 9.236 0.785 1.00 0.00 O ATOM 1392 CB VAL A 96 -18.625 11.987 -0.481 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -20.069 11.929 -0.008 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -18.226 13.412 -0.830 1.00 0.00 C ATOM 0 H VAL A 96 -16.114 12.312 -0.471 1.00 0.00 H new ATOM 0 HA VAL A 96 -18.041 11.704 1.577 1.00 0.00 H new ATOM 0 HB VAL A 96 -18.539 11.379 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -20.721 12.341 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -20.347 10.893 0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -20.176 12.511 0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.903 13.804 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -18.282 14.035 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -17.206 13.420 -1.215 1.00 0.00 H new ATOM 1404 N SER A 97 -16.551 9.331 0.064 1.00 0.00 N ATOM 1405 CA SER A 97 -16.421 7.886 -0.082 1.00 0.00 C ATOM 1406 C SER A 97 -16.273 7.213 1.279 1.00 0.00 C ATOM 1407 O SER A 97 -16.943 6.222 1.570 1.00 0.00 O ATOM 1408 CB SER A 97 -15.217 7.548 -0.964 1.00 0.00 C ATOM 1409 OG SER A 97 -15.510 7.768 -2.333 1.00 0.00 O ATOM 0 H SER A 97 -15.713 9.857 -0.184 1.00 0.00 H new ATOM 0 HA SER A 97 -17.328 7.511 -0.557 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.363 8.158 -0.669 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.932 6.507 -0.813 1.00 0.00 H new ATOM 0 HG SER A 97 -15.286 8.692 -2.571 1.00 0.00 H new ATOM 1415 N SER A 98 -15.390 7.759 2.109 1.00 0.00 N ATOM 1416 CA SER A 98 -15.150 7.210 3.439 1.00 0.00 C ATOM 1417 C SER A 98 -16.467 6.915 4.150 1.00 0.00 C ATOM 1418 O SER A 98 -17.140 7.822 4.637 1.00 0.00 O ATOM 1419 CB SER A 98 -14.315 8.184 4.272 1.00 0.00 C ATOM 1420 OG SER A 98 -12.947 8.127 3.904 1.00 0.00 O ATOM 0 H SER A 98 -14.829 8.581 1.884 1.00 0.00 H new ATOM 0 HA SER A 98 -14.600 6.275 3.326 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.690 9.198 4.135 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.420 7.945 5.330 1.00 0.00 H new ATOM 0 HG SER A 98 -12.435 8.760 4.450 1.00 0.00 H new ATOM 1426 N GLY A 99 -16.829 5.636 4.206 1.00 0.00 N ATOM 1427 CA GLY A 99 -18.063 5.242 4.859 1.00 0.00 C ATOM 1428 C GLY A 99 -18.284 5.970 6.170 1.00 0.00 C ATOM 1429 O GLY A 99 -17.413 6.005 7.039 1.00 0.00 O ATOM 0 H GLY A 99 -16.289 4.866 3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -18.902 5.439 4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -18.046 4.168 5.042 1.00 0.00 H new ATOM 1433 N PRO A 100 -19.473 6.571 6.325 1.00 0.00 N ATOM 1434 CA PRO A 100 -19.832 7.314 7.536 1.00 0.00 C ATOM 1435 C PRO A 100 -20.027 6.400 8.741 1.00 0.00 C ATOM 1436 O PRO A 100 -20.359 6.860 9.833 1.00 0.00 O ATOM 1437 CB PRO A 100 -21.153 7.991 7.159 1.00 0.00 C ATOM 1438 CG PRO A 100 -21.730 7.126 6.092 1.00 0.00 C ATOM 1439 CD PRO A 100 -20.558 6.571 5.329 1.00 0.00 C ATOM 0 HA PRO A 100 -19.049 8.012 7.833 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -21.821 8.060 8.017 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -20.989 9.007 6.800 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -22.331 6.324 6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -22.386 7.699 5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -20.761 5.567 4.955 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -20.311 7.189 4.466 1.00 0.00 H new ATOM 1447 N SER A 101 -19.819 5.104 8.534 1.00 0.00 N ATOM 1448 CA SER A 101 -19.976 4.124 9.602 1.00 0.00 C ATOM 1449 C SER A 101 -19.541 4.709 10.943 1.00 0.00 C ATOM 1450 O SER A 101 -18.392 5.118 11.111 1.00 0.00 O ATOM 1451 CB SER A 101 -19.161 2.867 9.294 1.00 0.00 C ATOM 1452 OG SER A 101 -19.518 1.803 10.159 1.00 0.00 O ATOM 0 H SER A 101 -19.541 4.708 7.636 1.00 0.00 H new ATOM 0 HA SER A 101 -21.031 3.858 9.665 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.325 2.568 8.259 1.00 0.00 H new ATOM 0 HB3 SER A 101 -18.098 3.084 9.399 1.00 0.00 H new ATOM 0 HG SER A 101 -18.984 1.011 9.941 1.00 0.00 H new ATOM 1458 N SER A 102 -20.468 4.745 11.894 1.00 0.00 N ATOM 1459 CA SER A 102 -20.184 5.283 13.220 1.00 0.00 C ATOM 1460 C SER A 102 -19.803 4.167 14.188 1.00 0.00 C ATOM 1461 O SER A 102 -20.296 3.045 14.085 1.00 0.00 O ATOM 1462 CB SER A 102 -21.396 6.047 13.755 1.00 0.00 C ATOM 1463 OG SER A 102 -22.460 5.163 14.065 1.00 0.00 O ATOM 0 H SER A 102 -21.423 4.408 11.772 1.00 0.00 H new ATOM 0 HA SER A 102 -19.342 5.969 13.134 1.00 0.00 H new ATOM 0 HB2 SER A 102 -21.113 6.607 14.646 1.00 0.00 H new ATOM 0 HB3 SER A 102 -21.727 6.774 13.014 1.00 0.00 H new ATOM 0 HG SER A 102 -23.222 5.676 14.407 1.00 0.00 H new ATOM 1469 N GLY A 103 -18.920 4.486 15.130 1.00 0.00 N ATOM 1470 CA GLY A 103 -18.487 3.501 16.104 1.00 0.00 C ATOM 1471 C GLY A 103 -17.486 4.065 17.093 1.00 0.00 C ATOM 1472 O GLY A 103 -17.842 4.401 18.223 1.00 0.00 O ATOM 0 H GLY A 103 -18.497 5.408 15.236 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -19.355 3.124 16.645 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -18.042 2.652 15.585 1.00 0.00 H new TER 1476 GLY A 103