USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 684 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 67 THR OG1 : rot 133:sc= 2.15 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 1.04 USER MOD Set 1.3: A 70 SER OG : rot 73:sc= 0.963 USER MOD Set 2.1: A 40 ASN : amide:sc= -0.0192 K(o=-0.14,f=-0.68) USER MOD Set 2.2: A 43 CYS SG : rot 85:sc= -0.108 USER MOD Set 2.3: A 50 MET CE :methyl -169:sc= -0.01 (180deg=0) USER MOD Set 3.1: A 30 LYS NZ :NH3+ 147:sc= 1.27 (180deg=-0.339) USER MOD Set 3.2: A 32 HIS : no HE2:sc= 0.79 K(o=2.1,f=-10!) USER MOD Set 4.1: A 16 LYS NZ :NH3+ -170:sc= 1.16 (180deg=0) USER MOD Set 4.2: A 26 GLN : amide:sc= 1.14 K(o=2.3,f=-8.5!) USER MOD Set 5.1: A 14 ASN : amide:sc= 1.71 K(o=2.8,f=-11!) USER MOD Set 5.2: A 28 LYS NZ :NH3+ 152:sc= 1.13 (180deg=-0.476) USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.171) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.685 (180deg=0.343) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.0143 (180deg=-0.202) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0842 USER MOD Single : A 12 HIS : no HE2:sc= -0.541 K(o=-0.54,f=-6.8!) USER MOD Single : A 20 GLN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 22 ASN : amide:sc= 0.642 K(o=0.64,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 2.63 (180deg=2.51) USER MOD Single : A 33 THR OG1 : rot -11:sc= 0.0262 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 168:sc= 0 (180deg=-0.207) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0.0101 K(o=0.01,f=-6.4!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 41:sc= 0.482 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 1.81 K(o=1.8,f=-7.3!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 85 GLN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 86 THR OG1 : rot -156:sc= 1.64 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.188 -10.227 -21.604 1.00 0.00 N ATOM 2 CA MET A 1 3.156 -9.937 -20.565 1.00 0.00 C ATOM 3 C MET A 1 3.120 -8.466 -20.188 1.00 0.00 C ATOM 4 O MET A 1 4.162 -7.863 -19.941 1.00 0.00 O ATOM 5 CB MET A 1 3.331 -10.866 -19.335 1.00 0.00 C ATOM 6 CG MET A 1 4.678 -10.778 -18.594 1.00 0.00 C ATOM 7 SD MET A 1 4.736 -11.909 -17.167 1.00 0.00 S ATOM 8 CE MET A 1 6.445 -11.520 -16.706 1.00 0.00 C ATOM 0 H1 MET A 1 4.578 -11.179 -21.450 1.00 0.00 H new ATOM 0 H2 MET A 1 3.753 -10.180 -22.548 1.00 0.00 H new ATOM 0 H3 MET A 1 4.952 -9.525 -21.540 1.00 0.00 H new ATOM 0 HA MET A 1 2.180 -10.156 -20.997 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.535 -10.644 -18.624 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.188 -11.896 -19.662 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.488 -11.018 -19.282 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.841 -9.755 -18.255 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.787 -12.225 -15.948 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.085 -11.594 -17.585 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.493 -10.507 -16.307 1.00 0.00 H new ATOM 20 N SER A 2 1.916 -7.836 -20.201 1.00 0.00 N ATOM 21 CA SER A 2 1.746 -6.379 -20.262 1.00 0.00 C ATOM 22 C SER A 2 2.346 -5.818 -21.545 1.00 0.00 C ATOM 23 O SER A 2 1.688 -5.825 -22.586 1.00 0.00 O ATOM 24 CB SER A 2 2.182 -5.574 -19.002 1.00 0.00 C ATOM 25 OG SER A 2 1.378 -5.910 -17.863 1.00 0.00 O ATOM 0 H SER A 2 1.031 -8.342 -20.169 1.00 0.00 H new ATOM 0 HA SER A 2 0.666 -6.232 -20.273 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.230 -5.778 -18.783 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.101 -4.506 -19.204 1.00 0.00 H new ATOM 0 HG SER A 2 1.676 -5.390 -17.087 1.00 0.00 H new ATOM 31 N ASP A 3 3.627 -5.404 -21.523 1.00 0.00 N ATOM 32 CA ASP A 3 4.401 -5.157 -22.726 1.00 0.00 C ATOM 33 C ASP A 3 4.976 -6.503 -23.232 1.00 0.00 C ATOM 34 O ASP A 3 4.306 -7.538 -23.225 1.00 0.00 O ATOM 35 CB ASP A 3 5.540 -4.121 -22.457 1.00 0.00 C ATOM 36 CG ASP A 3 5.063 -2.739 -22.048 1.00 0.00 C ATOM 37 OD1 ASP A 3 3.845 -2.447 -21.999 1.00 0.00 O ATOM 38 OD2 ASP A 3 5.953 -1.890 -21.767 1.00 0.00 O ATOM 0 H ASP A 3 4.144 -5.235 -20.660 1.00 0.00 H new ATOM 0 HA ASP A 3 3.756 -4.729 -23.493 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.189 -4.512 -21.674 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.147 -4.028 -23.358 1.00 0.00 H new ATOM 43 N GLU A 4 6.250 -6.538 -23.670 1.00 0.00 N ATOM 44 CA GLU A 4 6.898 -7.733 -24.189 1.00 0.00 C ATOM 45 C GLU A 4 7.418 -8.646 -23.070 1.00 0.00 C ATOM 46 O GLU A 4 6.665 -9.330 -22.371 1.00 0.00 O ATOM 47 CB GLU A 4 8.028 -7.299 -25.165 1.00 0.00 C ATOM 48 CG GLU A 4 8.686 -8.429 -26.009 1.00 0.00 C ATOM 49 CD GLU A 4 9.940 -7.938 -26.706 1.00 0.00 C ATOM 50 OE1 GLU A 4 10.153 -6.702 -26.775 1.00 0.00 O ATOM 51 OE2 GLU A 4 10.760 -8.778 -27.160 1.00 0.00 O ATOM 0 H GLU A 4 6.857 -5.718 -23.668 1.00 0.00 H new ATOM 0 HA GLU A 4 6.165 -8.331 -24.731 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.621 -6.555 -25.849 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.809 -6.806 -24.586 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.933 -9.271 -25.363 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.975 -8.793 -26.750 1.00 0.00 H new ATOM 58 N LYS A 5 8.744 -8.682 -22.862 1.00 0.00 N ATOM 59 CA LYS A 5 9.403 -9.533 -21.904 1.00 0.00 C ATOM 60 C LYS A 5 9.624 -8.771 -20.604 1.00 0.00 C ATOM 61 O LYS A 5 9.795 -7.555 -20.598 1.00 0.00 O ATOM 62 CB LYS A 5 10.753 -10.005 -22.506 1.00 0.00 C ATOM 63 CG LYS A 5 11.419 -11.226 -21.844 1.00 0.00 C ATOM 64 CD LYS A 5 11.122 -12.572 -22.543 1.00 0.00 C ATOM 65 CE LYS A 5 9.650 -13.006 -22.539 1.00 0.00 C ATOM 66 NZ LYS A 5 9.511 -14.392 -23.017 1.00 0.00 N ATOM 0 H LYS A 5 9.394 -8.093 -23.383 1.00 0.00 H new ATOM 0 HA LYS A 5 8.786 -10.404 -21.683 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.593 -10.235 -23.560 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.454 -9.171 -22.464 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.498 -11.071 -21.825 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.088 -11.288 -20.807 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.461 -12.508 -23.577 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.714 -13.350 -22.061 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.244 -12.922 -21.531 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.068 -12.338 -23.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.507 -14.664 -23.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.878 -14.463 -23.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.049 -15.029 -22.396 1.00 0.00 H new ATOM 80 N LYS A 6 9.602 -9.474 -19.459 1.00 0.00 N ATOM 81 CA LYS A 6 9.972 -8.907 -18.181 1.00 0.00 C ATOM 82 C LYS A 6 10.676 -10.000 -17.397 1.00 0.00 C ATOM 83 O LYS A 6 10.823 -11.130 -17.862 1.00 0.00 O ATOM 84 CB LYS A 6 8.757 -8.362 -17.374 1.00 0.00 C ATOM 85 CG LYS A 6 8.262 -6.983 -17.843 1.00 0.00 C ATOM 86 CD LYS A 6 7.255 -6.363 -16.856 1.00 0.00 C ATOM 87 CE LYS A 6 6.923 -4.882 -17.098 1.00 0.00 C ATOM 88 NZ LYS A 6 8.125 -4.054 -16.938 1.00 0.00 N ATOM 0 H LYS A 6 9.324 -10.454 -19.409 1.00 0.00 H new ATOM 0 HA LYS A 6 10.619 -8.046 -18.352 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.936 -9.075 -17.447 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.032 -8.299 -16.321 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.114 -6.313 -17.960 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.796 -7.080 -18.823 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.329 -6.937 -16.899 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.650 -6.469 -15.846 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.516 -4.753 -18.101 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.154 -4.556 -16.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.850 -3.053 -16.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.628 -4.336 -16.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.749 -4.185 -17.760 1.00 0.00 H new ATOM 102 N GLY A 7 11.138 -9.670 -16.184 1.00 0.00 N ATOM 103 CA GLY A 7 11.862 -10.559 -15.299 1.00 0.00 C ATOM 104 C GLY A 7 12.574 -9.682 -14.318 1.00 0.00 C ATOM 105 O GLY A 7 12.225 -8.511 -14.166 1.00 0.00 O ATOM 0 H GLY A 7 11.007 -8.739 -15.788 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.181 -11.240 -14.789 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.569 -11.173 -15.857 1.00 0.00 H new ATOM 109 N GLY A 8 13.601 -10.208 -13.631 1.00 0.00 N ATOM 110 CA GLY A 8 14.289 -9.491 -12.555 1.00 0.00 C ATOM 111 C GLY A 8 13.724 -9.881 -11.220 1.00 0.00 C ATOM 112 O GLY A 8 13.694 -9.111 -10.262 1.00 0.00 O ATOM 0 H GLY A 8 13.974 -11.141 -13.808 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.355 -9.714 -12.585 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.184 -8.416 -12.701 1.00 0.00 H new ATOM 116 N GLU A 9 13.240 -11.127 -11.141 1.00 0.00 N ATOM 117 CA GLU A 9 12.581 -11.704 -9.994 1.00 0.00 C ATOM 118 C GLU A 9 13.592 -12.166 -8.945 1.00 0.00 C ATOM 119 O GLU A 9 14.548 -12.883 -9.249 1.00 0.00 O ATOM 120 CB GLU A 9 11.707 -12.854 -10.535 1.00 0.00 C ATOM 121 CG GLU A 9 10.862 -13.638 -9.512 1.00 0.00 C ATOM 122 CD GLU A 9 9.993 -14.610 -10.270 1.00 0.00 C ATOM 123 OE1 GLU A 9 10.542 -15.487 -10.990 1.00 0.00 O ATOM 124 OE2 GLU A 9 8.740 -14.477 -10.237 1.00 0.00 O ATOM 0 H GLU A 9 13.308 -11.781 -11.921 1.00 0.00 H new ATOM 0 HA GLU A 9 11.959 -10.973 -9.476 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.032 -12.441 -11.285 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.359 -13.561 -11.048 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.507 -14.170 -8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.247 -12.957 -8.924 1.00 0.00 H new ATOM 131 N THR A 10 13.440 -11.707 -7.688 1.00 0.00 N ATOM 132 CA THR A 10 14.408 -11.929 -6.611 1.00 0.00 C ATOM 133 C THR A 10 13.700 -11.771 -5.267 1.00 0.00 C ATOM 134 O THR A 10 12.652 -12.371 -5.033 1.00 0.00 O ATOM 135 CB THR A 10 15.675 -11.053 -6.667 1.00 0.00 C ATOM 136 OG1 THR A 10 16.126 -10.850 -7.997 1.00 0.00 O ATOM 137 CG2 THR A 10 16.841 -11.730 -5.935 1.00 0.00 C ATOM 0 H THR A 10 12.628 -11.165 -7.394 1.00 0.00 H new ATOM 0 HA THR A 10 14.781 -12.944 -6.745 1.00 0.00 H new ATOM 0 HB THR A 10 15.396 -10.107 -6.204 1.00 0.00 H new ATOM 0 HG1 THR A 10 16.929 -10.289 -7.988 1.00 0.00 H new ATOM 0 HG21 THR A 10 17.723 -11.092 -5.989 1.00 0.00 H new ATOM 0 HG22 THR A 10 16.572 -11.890 -4.891 1.00 0.00 H new ATOM 0 HG23 THR A 10 17.058 -12.689 -6.405 1.00 0.00 H new ATOM 145 N GLU A 11 14.225 -10.964 -4.313 1.00 0.00 N ATOM 146 CA GLU A 11 13.643 -10.857 -2.990 1.00 0.00 C ATOM 147 C GLU A 11 12.673 -9.683 -2.839 1.00 0.00 C ATOM 148 O GLU A 11 13.034 -8.510 -2.704 1.00 0.00 O ATOM 149 CB GLU A 11 14.732 -10.885 -1.891 1.00 0.00 C ATOM 150 CG GLU A 11 14.197 -11.173 -0.465 1.00 0.00 C ATOM 151 CD GLU A 11 13.313 -12.408 -0.403 1.00 0.00 C ATOM 152 OE1 GLU A 11 12.101 -12.287 -0.727 1.00 0.00 O ATOM 153 OE2 GLU A 11 13.784 -13.506 -0.032 1.00 0.00 O ATOM 0 H GLU A 11 15.052 -10.384 -4.454 1.00 0.00 H new ATOM 0 HA GLU A 11 13.024 -11.744 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.471 -11.644 -2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.249 -9.925 -1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.039 -11.301 0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.632 -10.310 -0.113 1.00 0.00 H new ATOM 160 N HIS A 12 11.368 -9.990 -2.892 1.00 0.00 N ATOM 161 CA HIS A 12 10.295 -9.017 -2.931 1.00 0.00 C ATOM 162 C HIS A 12 9.069 -9.550 -2.215 1.00 0.00 C ATOM 163 O HIS A 12 9.079 -10.647 -1.662 1.00 0.00 O ATOM 164 CB HIS A 12 9.950 -8.615 -4.394 1.00 0.00 C ATOM 165 CG HIS A 12 10.100 -9.690 -5.421 1.00 0.00 C ATOM 166 ND1 HIS A 12 9.484 -10.920 -5.391 1.00 0.00 N ATOM 167 CD2 HIS A 12 10.829 -9.666 -6.565 1.00 0.00 C ATOM 168 CE1 HIS A 12 9.884 -11.588 -6.496 1.00 0.00 C ATOM 169 NE2 HIS A 12 10.681 -10.853 -7.249 1.00 0.00 N ATOM 0 H HIS A 12 11.033 -10.953 -2.909 1.00 0.00 H new ATOM 0 HA HIS A 12 10.635 -8.120 -2.413 1.00 0.00 H new ATOM 0 HB2 HIS A 12 8.921 -8.258 -4.418 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.585 -7.776 -4.679 1.00 0.00 H new ATOM 0 HD1 HIS A 12 8.847 -11.263 -4.672 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.438 -8.836 -6.892 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.588 -12.599 -6.734 1.00 0.00 H new ATOM 177 N ILE A 13 7.978 -8.768 -2.170 1.00 0.00 N ATOM 178 CA ILE A 13 6.655 -9.290 -1.874 1.00 0.00 C ATOM 179 C ILE A 13 5.706 -8.832 -2.966 1.00 0.00 C ATOM 180 O ILE A 13 5.802 -7.716 -3.485 1.00 0.00 O ATOM 181 CB ILE A 13 6.082 -8.931 -0.499 1.00 0.00 C ATOM 182 CG1 ILE A 13 5.993 -7.410 -0.240 1.00 0.00 C ATOM 183 CG2 ILE A 13 6.913 -9.649 0.583 1.00 0.00 C ATOM 184 CD1 ILE A 13 5.287 -7.071 1.078 1.00 0.00 C ATOM 0 H ILE A 13 7.999 -7.762 -2.338 1.00 0.00 H new ATOM 0 HA ILE A 13 6.762 -10.374 -1.843 1.00 0.00 H new ATOM 0 HB ILE A 13 5.048 -9.274 -0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.998 -6.989 -0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.460 -6.936 -1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.517 -9.403 1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.858 -10.727 0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.952 -9.325 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.255 -5.989 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.271 -7.465 1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.833 -7.518 1.909 1.00 0.00 H new ATOM 196 N ASN A 14 4.756 -9.700 -3.353 1.00 0.00 N ATOM 197 CA ASN A 14 3.595 -9.338 -4.138 1.00 0.00 C ATOM 198 C ASN A 14 2.463 -9.018 -3.173 1.00 0.00 C ATOM 199 O ASN A 14 1.818 -9.911 -2.634 1.00 0.00 O ATOM 200 CB ASN A 14 3.135 -10.480 -5.080 1.00 0.00 C ATOM 201 CG ASN A 14 4.256 -10.862 -6.037 1.00 0.00 C ATOM 202 OD1 ASN A 14 4.538 -10.172 -7.023 1.00 0.00 O ATOM 203 ND2 ASN A 14 4.897 -12.020 -5.777 1.00 0.00 N ATOM 0 H ASN A 14 4.788 -10.692 -3.116 1.00 0.00 H new ATOM 0 HA ASN A 14 3.857 -8.485 -4.763 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.839 -11.348 -4.492 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.258 -10.163 -5.645 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.635 -12.346 -6.401 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.644 -12.570 -4.956 1.00 0.00 H new ATOM 210 N LEU A 15 2.197 -7.731 -2.900 1.00 0.00 N ATOM 211 CA LEU A 15 1.240 -7.336 -1.881 1.00 0.00 C ATOM 212 C LEU A 15 -0.199 -7.517 -2.359 1.00 0.00 C ATOM 213 O LEU A 15 -0.542 -7.131 -3.475 1.00 0.00 O ATOM 214 CB LEU A 15 1.479 -5.861 -1.473 1.00 0.00 C ATOM 215 CG LEU A 15 0.781 -5.411 -0.171 1.00 0.00 C ATOM 216 CD1 LEU A 15 1.443 -6.027 1.069 1.00 0.00 C ATOM 217 CD2 LEU A 15 0.789 -3.881 -0.045 1.00 0.00 C ATOM 0 H LEU A 15 2.641 -6.948 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 15 1.389 -7.983 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.552 -5.702 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.142 -5.218 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.249 -5.763 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.924 -5.687 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.388 -7.114 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.487 -5.718 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.292 -3.590 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.818 -3.522 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.263 -3.443 -0.893 1.00 0.00 H new ATOM 229 N LYS A 16 -1.076 -8.126 -1.537 1.00 0.00 N ATOM 230 CA LYS A 16 -2.464 -8.387 -1.883 1.00 0.00 C ATOM 231 C LYS A 16 -3.358 -7.248 -1.438 1.00 0.00 C ATOM 232 O LYS A 16 -3.542 -7.010 -0.246 1.00 0.00 O ATOM 233 CB LYS A 16 -2.964 -9.686 -1.209 1.00 0.00 C ATOM 234 CG LYS A 16 -2.442 -10.967 -1.870 1.00 0.00 C ATOM 235 CD LYS A 16 -3.200 -11.321 -3.155 1.00 0.00 C ATOM 236 CE LYS A 16 -2.821 -12.698 -3.700 1.00 0.00 C ATOM 237 NZ LYS A 16 -3.709 -13.036 -4.823 1.00 0.00 N ATOM 0 H LYS A 16 -0.824 -8.450 -0.603 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.510 -8.489 -2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.662 -9.680 -0.162 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.054 -9.697 -1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.383 -10.847 -2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.524 -11.794 -1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.272 -11.294 -2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.995 -10.565 -3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.782 -12.698 -4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.906 -13.449 -2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.571 -14.032 -5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.699 -12.887 -4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.486 -12.428 -5.637 1.00 0.00 H new ATOM 251 N VAL A 17 -3.940 -6.510 -2.400 1.00 0.00 N ATOM 252 CA VAL A 17 -4.661 -5.279 -2.145 1.00 0.00 C ATOM 253 C VAL A 17 -6.149 -5.468 -2.391 1.00 0.00 C ATOM 254 O VAL A 17 -6.598 -5.662 -3.523 1.00 0.00 O ATOM 255 CB VAL A 17 -4.134 -4.161 -3.038 1.00 0.00 C ATOM 256 CG1 VAL A 17 -4.766 -2.817 -2.650 1.00 0.00 C ATOM 257 CG2 VAL A 17 -2.599 -4.078 -2.922 1.00 0.00 C ATOM 0 H VAL A 17 -3.914 -6.768 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.507 -5.007 -1.101 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.403 -4.383 -4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.378 -2.032 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.848 -2.878 -2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.521 -2.586 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.228 -3.277 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.323 -3.873 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.159 -5.025 -3.234 1.00 0.00 H new ATOM 267 N LEU A 18 -6.961 -5.412 -1.319 1.00 0.00 N ATOM 268 CA LEU A 18 -8.399 -5.586 -1.390 1.00 0.00 C ATOM 269 C LEU A 18 -9.110 -4.241 -1.304 1.00 0.00 C ATOM 270 O LEU A 18 -8.973 -3.511 -0.326 1.00 0.00 O ATOM 271 CB LEU A 18 -8.920 -6.510 -0.259 1.00 0.00 C ATOM 272 CG LEU A 18 -8.382 -7.960 -0.300 1.00 0.00 C ATOM 273 CD1 LEU A 18 -7.037 -8.140 0.424 1.00 0.00 C ATOM 274 CD2 LEU A 18 -9.412 -8.914 0.316 1.00 0.00 C ATOM 0 H LEU A 18 -6.619 -5.242 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.616 -6.054 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.656 -6.068 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.008 -6.541 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.212 -8.192 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.722 -9.181 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.285 -7.502 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.149 -7.865 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.028 -9.934 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.599 -8.628 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.342 -8.859 -0.249 1.00 0.00 H new ATOM 286 N GLY A 19 -9.887 -3.872 -2.342 1.00 0.00 N ATOM 287 CA GLY A 19 -10.517 -2.562 -2.475 1.00 0.00 C ATOM 288 C GLY A 19 -11.988 -2.540 -2.165 1.00 0.00 C ATOM 289 O GLY A 19 -12.743 -3.473 -2.427 1.00 0.00 O ATOM 0 H GLY A 19 -10.092 -4.496 -3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.009 -1.860 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.368 -2.204 -3.494 1.00 0.00 H new ATOM 293 N GLN A 20 -12.458 -1.401 -1.627 1.00 0.00 N ATOM 294 CA GLN A 20 -13.814 -1.186 -1.158 1.00 0.00 C ATOM 295 C GLN A 20 -14.844 -1.095 -2.282 1.00 0.00 C ATOM 296 O GLN A 20 -16.046 -1.234 -2.071 1.00 0.00 O ATOM 297 CB GLN A 20 -13.844 0.105 -0.298 1.00 0.00 C ATOM 298 CG GLN A 20 -14.877 0.121 0.861 1.00 0.00 C ATOM 299 CD GLN A 20 -14.580 -0.811 2.049 1.00 0.00 C ATOM 300 OE1 GLN A 20 -15.472 -1.072 2.865 1.00 0.00 O ATOM 301 NE2 GLN A 20 -13.330 -1.304 2.186 1.00 0.00 N ATOM 0 H GLN A 20 -11.868 -0.578 -1.508 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.096 -2.057 -0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.851 0.261 0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.049 0.951 -0.954 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.954 1.141 1.237 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.853 -0.143 0.454 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.613 -1.073 1.499 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.103 -1.907 2.977 1.00 0.00 H new ATOM 310 N ASP A 21 -14.381 -0.888 -3.530 1.00 0.00 N ATOM 311 CA ASP A 21 -15.168 -0.900 -4.745 1.00 0.00 C ATOM 312 C ASP A 21 -15.197 -2.285 -5.400 1.00 0.00 C ATOM 313 O ASP A 21 -15.536 -2.434 -6.576 1.00 0.00 O ATOM 314 CB ASP A 21 -14.621 0.177 -5.723 1.00 0.00 C ATOM 315 CG ASP A 21 -13.181 -0.016 -6.156 1.00 0.00 C ATOM 316 OD1 ASP A 21 -12.393 -0.726 -5.481 1.00 0.00 O ATOM 317 OD2 ASP A 21 -12.817 0.609 -7.187 1.00 0.00 O ATOM 0 H ASP A 21 -13.395 -0.700 -3.710 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.200 -0.661 -4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.252 0.192 -6.612 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.714 1.155 -5.250 1.00 0.00 H new ATOM 322 N ASN A 22 -14.828 -3.324 -4.620 1.00 0.00 N ATOM 323 CA ASN A 22 -14.814 -4.729 -4.976 1.00 0.00 C ATOM 324 C ASN A 22 -13.610 -5.097 -5.845 1.00 0.00 C ATOM 325 O ASN A 22 -13.564 -6.162 -6.467 1.00 0.00 O ATOM 326 CB ASN A 22 -16.172 -5.197 -5.587 1.00 0.00 C ATOM 327 CG ASN A 22 -16.592 -6.603 -5.179 1.00 0.00 C ATOM 328 OD1 ASN A 22 -17.766 -6.834 -4.875 1.00 0.00 O ATOM 329 ND2 ASN A 22 -15.666 -7.581 -5.191 1.00 0.00 N ATOM 0 H ASN A 22 -14.513 -3.175 -3.661 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.694 -5.287 -4.047 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.952 -4.497 -5.288 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.103 -5.152 -6.674 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -15.929 -8.535 -4.946 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.702 -7.367 -5.445 1.00 0.00 H new ATOM 336 N ALA A 23 -12.579 -4.238 -5.898 1.00 0.00 N ATOM 337 CA ALA A 23 -11.368 -4.516 -6.630 1.00 0.00 C ATOM 338 C ALA A 23 -10.419 -5.436 -5.865 1.00 0.00 C ATOM 339 O ALA A 23 -10.235 -5.317 -4.657 1.00 0.00 O ATOM 340 CB ALA A 23 -10.655 -3.195 -6.970 1.00 0.00 C ATOM 0 H ALA A 23 -12.578 -3.333 -5.427 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.652 -5.037 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.740 -3.407 -7.523 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.311 -2.574 -7.579 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.408 -2.667 -6.049 1.00 0.00 H new ATOM 346 N VAL A 24 -9.778 -6.390 -6.563 1.00 0.00 N ATOM 347 CA VAL A 24 -8.682 -7.167 -6.002 1.00 0.00 C ATOM 348 C VAL A 24 -7.506 -6.945 -6.920 1.00 0.00 C ATOM 349 O VAL A 24 -7.522 -7.379 -8.071 1.00 0.00 O ATOM 350 CB VAL A 24 -8.977 -8.664 -5.890 1.00 0.00 C ATOM 351 CG1 VAL A 24 -7.766 -9.401 -5.281 1.00 0.00 C ATOM 352 CG2 VAL A 24 -10.213 -8.877 -4.997 1.00 0.00 C ATOM 0 H VAL A 24 -10.011 -6.636 -7.525 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.498 -6.837 -4.980 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.170 -9.064 -6.885 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.988 -10.466 -5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.894 -9.256 -5.918 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.560 -9.003 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.424 -9.943 -4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.020 -8.469 -4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.071 -8.369 -5.437 1.00 0.00 H new ATOM 362 N VAL A 25 -6.460 -6.242 -6.459 1.00 0.00 N ATOM 363 CA VAL A 25 -5.267 -6.011 -7.261 1.00 0.00 C ATOM 364 C VAL A 25 -4.050 -6.408 -6.455 1.00 0.00 C ATOM 365 O VAL A 25 -4.124 -6.700 -5.263 1.00 0.00 O ATOM 366 CB VAL A 25 -5.131 -4.586 -7.813 1.00 0.00 C ATOM 367 CG1 VAL A 25 -6.316 -4.285 -8.752 1.00 0.00 C ATOM 368 CG2 VAL A 25 -5.052 -3.539 -6.686 1.00 0.00 C ATOM 0 H VAL A 25 -6.425 -5.825 -5.529 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.358 -6.635 -8.150 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.197 -4.524 -8.372 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.221 -3.273 -9.145 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.316 -4.996 -9.578 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.251 -4.373 -8.198 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.956 -2.544 -7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.958 -3.586 -6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.186 -3.746 -6.058 1.00 0.00 H new ATOM 378 N GLN A 26 -2.873 -6.470 -7.096 1.00 0.00 N ATOM 379 CA GLN A 26 -1.668 -6.871 -6.412 1.00 0.00 C ATOM 380 C GLN A 26 -0.467 -6.328 -7.155 1.00 0.00 C ATOM 381 O GLN A 26 -0.474 -6.222 -8.383 1.00 0.00 O ATOM 382 CB GLN A 26 -1.586 -8.415 -6.252 1.00 0.00 C ATOM 383 CG GLN A 26 -1.852 -9.203 -7.556 1.00 0.00 C ATOM 384 CD GLN A 26 -1.919 -10.705 -7.294 1.00 0.00 C ATOM 385 OE1 GLN A 26 -2.829 -11.197 -6.615 1.00 0.00 O ATOM 386 NE2 GLN A 26 -0.952 -11.467 -7.839 1.00 0.00 N ATOM 0 H GLN A 26 -2.746 -6.246 -8.083 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.681 -6.455 -5.405 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.597 -8.678 -5.877 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.307 -8.730 -5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.789 -8.867 -8.001 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.063 -8.993 -8.278 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.214 -11.034 -8.394 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.958 -12.477 -7.697 1.00 0.00 H new ATOM 395 N PHE A 27 0.592 -5.932 -6.425 1.00 0.00 N ATOM 396 CA PHE A 27 1.768 -5.313 -7.012 1.00 0.00 C ATOM 397 C PHE A 27 3.041 -5.803 -6.345 1.00 0.00 C ATOM 398 O PHE A 27 3.034 -6.239 -5.197 1.00 0.00 O ATOM 399 CB PHE A 27 1.691 -3.754 -7.027 1.00 0.00 C ATOM 400 CG PHE A 27 1.183 -3.125 -5.752 1.00 0.00 C ATOM 401 CD1 PHE A 27 1.886 -3.239 -4.538 1.00 0.00 C ATOM 402 CD2 PHE A 27 0.017 -2.340 -5.783 1.00 0.00 C ATOM 403 CE1 PHE A 27 1.420 -2.606 -3.379 1.00 0.00 C ATOM 404 CE2 PHE A 27 -0.442 -1.689 -4.631 1.00 0.00 C ATOM 405 CZ PHE A 27 0.254 -1.833 -3.425 1.00 0.00 C ATOM 0 H PHE A 27 0.645 -6.038 -5.412 1.00 0.00 H new ATOM 0 HA PHE A 27 1.794 -5.626 -8.056 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.685 -3.359 -7.238 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.044 -3.446 -7.849 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.795 -3.821 -4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.532 -2.238 -6.707 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.960 -2.714 -2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.331 -1.077 -4.673 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.108 -1.348 -2.531 1.00 0.00 H new ATOM 415 N LYS A 28 4.177 -5.755 -7.064 1.00 0.00 N ATOM 416 CA LYS A 28 5.443 -6.282 -6.586 1.00 0.00 C ATOM 417 C LYS A 28 6.375 -5.188 -6.089 1.00 0.00 C ATOM 418 O LYS A 28 6.719 -4.260 -6.822 1.00 0.00 O ATOM 419 CB LYS A 28 6.142 -7.076 -7.711 1.00 0.00 C ATOM 420 CG LYS A 28 7.428 -7.810 -7.291 1.00 0.00 C ATOM 421 CD LYS A 28 8.122 -8.542 -8.456 1.00 0.00 C ATOM 422 CE LYS A 28 7.709 -10.006 -8.676 1.00 0.00 C ATOM 423 NZ LYS A 28 6.323 -10.109 -9.145 1.00 0.00 N ATOM 0 H LYS A 28 4.230 -5.345 -7.996 1.00 0.00 H new ATOM 0 HA LYS A 28 5.220 -6.937 -5.744 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.439 -7.807 -8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.383 -6.390 -8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.123 -7.091 -6.858 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.187 -8.531 -6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.926 -7.988 -9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.199 -8.511 -8.288 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.376 -10.468 -9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.821 -10.561 -7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.213 -10.971 -9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.682 -10.151 -8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.090 -9.278 -9.725 1.00 0.00 H new ATOM 437 N ILE A 29 6.825 -5.290 -4.825 1.00 0.00 N ATOM 438 CA ILE A 29 7.746 -4.348 -4.207 1.00 0.00 C ATOM 439 C ILE A 29 8.944 -5.100 -3.634 1.00 0.00 C ATOM 440 O ILE A 29 8.797 -6.182 -3.069 1.00 0.00 O ATOM 441 CB ILE A 29 7.040 -3.496 -3.145 1.00 0.00 C ATOM 442 CG1 ILE A 29 7.968 -2.408 -2.562 1.00 0.00 C ATOM 443 CG2 ILE A 29 6.413 -4.378 -2.042 1.00 0.00 C ATOM 444 CD1 ILE A 29 7.259 -1.407 -1.644 1.00 0.00 C ATOM 0 H ILE A 29 6.547 -6.048 -4.202 1.00 0.00 H new ATOM 0 HA ILE A 29 8.110 -3.657 -4.967 1.00 0.00 H new ATOM 0 HB ILE A 29 6.224 -2.971 -3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.770 -2.891 -2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.434 -1.864 -3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.921 -3.744 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.681 -5.052 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.194 -4.961 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.980 -0.677 -1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.475 -0.894 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.817 -1.937 -0.800 1.00 0.00 H new ATOM 456 N LYS A 30 10.183 -4.565 -3.765 1.00 0.00 N ATOM 457 CA LYS A 30 11.385 -5.145 -3.172 1.00 0.00 C ATOM 458 C LYS A 30 11.305 -5.161 -1.647 1.00 0.00 C ATOM 459 O LYS A 30 10.763 -4.247 -1.029 1.00 0.00 O ATOM 460 CB LYS A 30 12.653 -4.340 -3.569 1.00 0.00 C ATOM 461 CG LYS A 30 13.233 -4.603 -4.973 1.00 0.00 C ATOM 462 CD LYS A 30 14.085 -5.887 -5.031 1.00 0.00 C ATOM 463 CE LYS A 30 15.316 -5.842 -5.962 1.00 0.00 C ATOM 464 NZ LYS A 30 16.254 -4.780 -5.557 1.00 0.00 N ATOM 0 H LYS A 30 10.364 -3.711 -4.293 1.00 0.00 H new ATOM 0 HA LYS A 30 11.452 -6.165 -3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.419 -3.278 -3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.432 -4.549 -2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.416 -4.680 -5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.844 -3.752 -5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.426 -6.119 -4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.445 -6.710 -5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.824 -6.806 -5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.992 -5.672 -6.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.228 -5.080 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.041 -3.909 -6.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.155 -4.600 -4.537 1.00 0.00 H new ATOM 478 N LYS A 31 11.850 -6.198 -0.973 1.00 0.00 N ATOM 479 CA LYS A 31 11.729 -6.294 0.476 1.00 0.00 C ATOM 480 C LYS A 31 12.477 -5.190 1.229 1.00 0.00 C ATOM 481 O LYS A 31 12.027 -4.709 2.265 1.00 0.00 O ATOM 482 CB LYS A 31 12.119 -7.691 1.030 1.00 0.00 C ATOM 483 CG LYS A 31 11.028 -8.772 0.880 1.00 0.00 C ATOM 484 CD LYS A 31 11.248 -9.940 1.863 1.00 0.00 C ATOM 485 CE LYS A 31 10.133 -10.998 1.940 1.00 0.00 C ATOM 486 NZ LYS A 31 9.976 -11.720 0.671 1.00 0.00 N ATOM 0 H LYS A 31 12.366 -6.961 -1.410 1.00 0.00 H new ATOM 0 HA LYS A 31 10.665 -6.148 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.020 -8.031 0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.369 -7.591 2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.048 -8.328 1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.028 -9.151 -0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.176 -10.443 1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.391 -9.523 2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.360 -11.707 2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.192 -10.515 2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.251 -12.458 0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.685 -11.055 -0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.881 -12.160 0.408 1.00 0.00 H new ATOM 500 N HIS A 32 13.624 -4.729 0.700 1.00 0.00 N ATOM 501 CA HIS A 32 14.395 -3.639 1.277 1.00 0.00 C ATOM 502 C HIS A 32 13.931 -2.230 0.883 1.00 0.00 C ATOM 503 O HIS A 32 14.521 -1.251 1.325 1.00 0.00 O ATOM 504 CB HIS A 32 15.900 -3.803 0.930 1.00 0.00 C ATOM 505 CG HIS A 32 16.148 -4.266 -0.483 1.00 0.00 C ATOM 506 ND1 HIS A 32 16.454 -5.571 -0.813 1.00 0.00 N ATOM 507 CD2 HIS A 32 16.102 -3.585 -1.661 1.00 0.00 C ATOM 508 CE1 HIS A 32 16.571 -5.623 -2.164 1.00 0.00 C ATOM 509 NE2 HIS A 32 16.349 -4.442 -2.720 1.00 0.00 N ATOM 0 H HIS A 32 14.037 -5.114 -0.149 1.00 0.00 H new ATOM 0 HA HIS A 32 14.228 -3.716 2.351 1.00 0.00 H new ATOM 0 HB2 HIS A 32 16.406 -2.850 1.085 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.348 -4.517 1.621 1.00 0.00 H new ATOM 0 HD1 HIS A 32 16.570 -6.349 -0.164 1.00 0.00 H new ATOM 0 HD2 HIS A 32 15.902 -2.528 -1.756 1.00 0.00 H new ATOM 0 HE1 HIS A 32 16.815 -6.518 -2.718 1.00 0.00 H new ATOM 517 N THR A 33 12.867 -2.049 0.064 1.00 0.00 N ATOM 518 CA THR A 33 12.382 -0.706 -0.302 1.00 0.00 C ATOM 519 C THR A 33 11.138 -0.306 0.488 1.00 0.00 C ATOM 520 O THR A 33 10.299 -1.169 0.745 1.00 0.00 O ATOM 521 CB THR A 33 12.025 -0.520 -1.775 1.00 0.00 C ATOM 522 OG1 THR A 33 11.153 -1.535 -2.254 1.00 0.00 O ATOM 523 CG2 THR A 33 13.306 -0.581 -2.618 1.00 0.00 C ATOM 0 H THR A 33 12.335 -2.814 -0.351 1.00 0.00 H new ATOM 0 HA THR A 33 13.240 -0.077 -0.065 1.00 0.00 H new ATOM 0 HB THR A 33 11.524 0.444 -1.861 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.094 -2.255 -1.592 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.056 -0.449 -3.671 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.986 0.211 -2.304 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.788 -1.549 -2.479 1.00 0.00 H new ATOM 531 N PRO A 34 10.935 0.952 0.889 1.00 0.00 N ATOM 532 CA PRO A 34 9.748 1.352 1.644 1.00 0.00 C ATOM 533 C PRO A 34 8.495 1.523 0.800 1.00 0.00 C ATOM 534 O PRO A 34 8.560 1.615 -0.426 1.00 0.00 O ATOM 535 CB PRO A 34 10.169 2.705 2.233 1.00 0.00 C ATOM 536 CG PRO A 34 11.125 3.288 1.195 1.00 0.00 C ATOM 537 CD PRO A 34 11.899 2.051 0.747 1.00 0.00 C ATOM 0 HA PRO A 34 9.471 0.589 2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.308 3.355 2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.658 2.583 3.200 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.592 3.758 0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.780 4.046 1.624 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.244 2.148 -0.283 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.782 1.888 1.365 1.00 0.00 H new ATOM 545 N LEU A 35 7.326 1.595 1.468 1.00 0.00 N ATOM 546 CA LEU A 35 6.013 1.606 0.845 1.00 0.00 C ATOM 547 C LEU A 35 5.655 2.928 0.164 1.00 0.00 C ATOM 548 O LEU A 35 5.189 2.930 -0.975 1.00 0.00 O ATOM 549 CB LEU A 35 4.905 1.246 1.878 1.00 0.00 C ATOM 550 CG LEU A 35 4.706 -0.261 2.188 1.00 0.00 C ATOM 551 CD1 LEU A 35 4.195 -1.038 0.964 1.00 0.00 C ATOM 552 CD2 LEU A 35 5.936 -0.951 2.795 1.00 0.00 C ATOM 0 H LEU A 35 7.282 1.648 2.486 1.00 0.00 H new ATOM 0 HA LEU A 35 6.064 0.849 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.131 1.759 2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.958 1.647 1.516 1.00 0.00 H new ATOM 0 HG LEU A 35 3.938 -0.282 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.070 -2.089 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.237 -0.627 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.915 -0.950 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.710 -2.001 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.774 -0.877 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.199 -0.465 3.735 1.00 0.00 H new ATOM 564 N ARG A 36 5.857 4.084 0.841 1.00 0.00 N ATOM 565 CA ARG A 36 5.465 5.435 0.422 1.00 0.00 C ATOM 566 C ARG A 36 5.652 5.787 -1.057 1.00 0.00 C ATOM 567 O ARG A 36 4.727 6.278 -1.702 1.00 0.00 O ATOM 568 CB ARG A 36 6.195 6.484 1.305 1.00 0.00 C ATOM 569 CG ARG A 36 5.777 7.968 1.140 1.00 0.00 C ATOM 570 CD ARG A 36 4.309 8.289 1.472 1.00 0.00 C ATOM 571 NE ARG A 36 4.225 9.774 1.743 1.00 0.00 N ATOM 572 CZ ARG A 36 4.268 10.311 2.970 1.00 0.00 C ATOM 573 NH1 ARG A 36 4.035 9.571 4.043 1.00 0.00 N ATOM 574 NH2 ARG A 36 4.522 11.603 3.134 1.00 0.00 N ATOM 0 H ARG A 36 6.326 4.089 1.747 1.00 0.00 H new ATOM 0 HA ARG A 36 4.384 5.454 0.562 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.048 6.207 2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.263 6.410 1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.416 8.579 1.777 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.972 8.269 0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.658 8.012 0.643 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.978 7.720 2.341 1.00 0.00 H new ATOM 0 HE ARG A 36 4.130 10.403 0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.820 8.579 3.942 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.071 9.993 4.971 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.687 12.197 2.322 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.552 12.002 4.072 1.00 0.00 H new ATOM 588 N LYS A 37 6.836 5.491 -1.646 1.00 0.00 N ATOM 589 CA LYS A 37 7.134 5.720 -3.057 1.00 0.00 C ATOM 590 C LYS A 37 6.124 5.069 -3.998 1.00 0.00 C ATOM 591 O LYS A 37 5.590 5.697 -4.911 1.00 0.00 O ATOM 592 CB LYS A 37 8.551 5.186 -3.431 1.00 0.00 C ATOM 593 CG LYS A 37 9.009 5.600 -4.848 1.00 0.00 C ATOM 594 CD LYS A 37 10.246 4.853 -5.401 1.00 0.00 C ATOM 595 CE LYS A 37 9.999 3.363 -5.695 1.00 0.00 C ATOM 596 NZ LYS A 37 10.994 2.822 -6.638 1.00 0.00 N ATOM 0 H LYS A 37 7.616 5.080 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 37 7.084 6.801 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.273 5.553 -2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.551 4.098 -3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.178 5.448 -5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.226 6.668 -4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.574 5.344 -6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.061 4.941 -4.683 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.035 2.797 -4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.998 3.234 -6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.796 1.816 -6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.943 3.346 -7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.947 2.922 -6.233 1.00 0.00 H new ATOM 610 N LEU A 38 5.815 3.780 -3.766 1.00 0.00 N ATOM 611 CA LEU A 38 4.880 2.999 -4.550 1.00 0.00 C ATOM 612 C LEU A 38 3.454 3.497 -4.374 1.00 0.00 C ATOM 613 O LEU A 38 2.703 3.646 -5.341 1.00 0.00 O ATOM 614 CB LEU A 38 5.023 1.509 -4.149 1.00 0.00 C ATOM 615 CG LEU A 38 4.206 0.506 -4.987 1.00 0.00 C ATOM 616 CD1 LEU A 38 4.908 -0.858 -5.027 1.00 0.00 C ATOM 617 CD2 LEU A 38 2.787 0.302 -4.443 1.00 0.00 C ATOM 0 H LEU A 38 6.230 3.250 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 38 5.111 3.109 -5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.076 1.235 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.730 1.404 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 38 4.135 0.932 -5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.317 -1.554 -5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.896 -0.746 -5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.010 -1.245 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.256 -0.414 -5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.840 -0.079 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.255 1.253 -4.448 1.00 0.00 H new ATOM 629 N MET A 39 3.063 3.815 -3.121 1.00 0.00 N ATOM 630 CA MET A 39 1.762 4.365 -2.777 1.00 0.00 C ATOM 631 C MET A 39 1.446 5.649 -3.530 1.00 0.00 C ATOM 632 O MET A 39 0.418 5.740 -4.203 1.00 0.00 O ATOM 633 CB MET A 39 1.643 4.621 -1.255 1.00 0.00 C ATOM 634 CG MET A 39 1.737 3.338 -0.405 1.00 0.00 C ATOM 635 SD MET A 39 1.779 3.641 1.389 1.00 0.00 S ATOM 636 CE MET A 39 0.050 4.166 1.580 1.00 0.00 C ATOM 0 H MET A 39 3.669 3.688 -2.310 1.00 0.00 H new ATOM 0 HA MET A 39 1.033 3.612 -3.078 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.431 5.309 -0.948 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.692 5.113 -1.051 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.885 2.698 -0.635 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.634 2.789 -0.692 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.205 4.199 2.639 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.080 5.157 1.144 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.604 3.457 1.071 1.00 0.00 H new ATOM 646 N ASN A 40 2.349 6.653 -3.486 1.00 0.00 N ATOM 647 CA ASN A 40 2.205 7.870 -4.270 1.00 0.00 C ATOM 648 C ASN A 40 2.259 7.627 -5.783 1.00 0.00 C ATOM 649 O ASN A 40 1.406 8.103 -6.525 1.00 0.00 O ATOM 650 CB ASN A 40 3.255 8.945 -3.870 1.00 0.00 C ATOM 651 CG ASN A 40 3.042 9.446 -2.443 1.00 0.00 C ATOM 652 OD1 ASN A 40 3.924 9.371 -1.585 1.00 0.00 O ATOM 653 ND2 ASN A 40 1.847 10.012 -2.169 1.00 0.00 N ATOM 0 H ASN A 40 3.188 6.630 -2.906 1.00 0.00 H new ATOM 0 HA ASN A 40 1.208 8.244 -4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.257 8.526 -3.962 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.196 9.785 -4.562 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.662 10.387 -1.239 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.130 10.065 -2.892 1.00 0.00 H new ATOM 660 N ALA A 41 3.235 6.840 -6.290 1.00 0.00 N ATOM 661 CA ALA A 41 3.403 6.576 -7.713 1.00 0.00 C ATOM 662 C ALA A 41 2.198 5.954 -8.427 1.00 0.00 C ATOM 663 O ALA A 41 1.873 6.333 -9.555 1.00 0.00 O ATOM 664 CB ALA A 41 4.638 5.681 -7.932 1.00 0.00 C ATOM 0 H ALA A 41 3.928 6.372 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 41 3.525 7.561 -8.164 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.761 5.485 -8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.526 6.186 -7.551 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.502 4.738 -7.403 1.00 0.00 H new ATOM 670 N TYR A 42 1.491 5.000 -7.781 1.00 0.00 N ATOM 671 CA TYR A 42 0.227 4.484 -8.289 1.00 0.00 C ATOM 672 C TYR A 42 -0.912 5.500 -8.169 1.00 0.00 C ATOM 673 O TYR A 42 -1.687 5.654 -9.110 1.00 0.00 O ATOM 674 CB TYR A 42 -0.183 3.148 -7.610 1.00 0.00 C ATOM 675 CG TYR A 42 0.400 1.959 -8.334 1.00 0.00 C ATOM 676 CD1 TYR A 42 -0.122 1.548 -9.575 1.00 0.00 C ATOM 677 CD2 TYR A 42 1.438 1.210 -7.762 1.00 0.00 C ATOM 678 CE1 TYR A 42 0.389 0.413 -10.231 1.00 0.00 C ATOM 679 CE2 TYR A 42 1.944 0.071 -8.406 1.00 0.00 C ATOM 680 CZ TYR A 42 1.422 -0.326 -9.643 1.00 0.00 C ATOM 681 OH TYR A 42 1.949 -1.471 -10.279 1.00 0.00 O ATOM 0 H TYR A 42 1.788 4.578 -6.901 1.00 0.00 H new ATOM 0 HA TYR A 42 0.399 4.290 -9.348 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.155 3.146 -6.574 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.270 3.067 -7.591 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.924 2.111 -10.029 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.854 1.514 -6.813 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.015 0.113 -11.186 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.737 -0.500 -7.947 1.00 0.00 H new ATOM 0 HH TYR A 42 2.660 -1.855 -9.725 1.00 0.00 H new ATOM 691 N CYS A 43 -1.033 6.246 -7.047 1.00 0.00 N ATOM 692 CA CYS A 43 -2.061 7.277 -6.864 1.00 0.00 C ATOM 693 C CYS A 43 -2.009 8.385 -7.905 1.00 0.00 C ATOM 694 O CYS A 43 -3.023 8.702 -8.527 1.00 0.00 O ATOM 695 CB CYS A 43 -1.995 7.943 -5.462 1.00 0.00 C ATOM 696 SG CYS A 43 -2.727 6.917 -4.147 1.00 0.00 S ATOM 0 H CYS A 43 -0.413 6.143 -6.243 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.997 6.730 -6.976 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.954 8.152 -5.214 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.513 8.902 -5.497 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.841 6.070 -3.713 1.00 0.00 H new ATOM 702 N ASP A 44 -0.825 8.980 -8.150 1.00 0.00 N ATOM 703 CA ASP A 44 -0.609 9.982 -9.180 1.00 0.00 C ATOM 704 C ASP A 44 -0.940 9.494 -10.603 1.00 0.00 C ATOM 705 O ASP A 44 -1.436 10.252 -11.436 1.00 0.00 O ATOM 706 CB ASP A 44 0.853 10.496 -9.101 1.00 0.00 C ATOM 707 CG ASP A 44 1.014 11.497 -7.972 1.00 0.00 C ATOM 708 OD1 ASP A 44 1.081 11.116 -6.775 1.00 0.00 O ATOM 709 OD2 ASP A 44 1.093 12.712 -8.293 1.00 0.00 O ATOM 0 H ASP A 44 0.018 8.764 -7.619 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.307 10.796 -8.982 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.530 9.656 -8.947 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.131 10.961 -10.047 1.00 0.00 H new ATOM 714 N ARG A 45 -0.713 8.198 -10.911 1.00 0.00 N ATOM 715 CA ARG A 45 -1.117 7.581 -12.170 1.00 0.00 C ATOM 716 C ARG A 45 -2.614 7.327 -12.275 1.00 0.00 C ATOM 717 O ARG A 45 -3.246 7.662 -13.279 1.00 0.00 O ATOM 718 CB ARG A 45 -0.371 6.246 -12.381 1.00 0.00 C ATOM 719 CG ARG A 45 1.052 6.473 -12.908 1.00 0.00 C ATOM 720 CD ARG A 45 1.923 5.215 -12.886 1.00 0.00 C ATOM 721 NE ARG A 45 3.159 5.529 -13.665 1.00 0.00 N ATOM 722 CZ ARG A 45 4.147 6.323 -13.241 1.00 0.00 C ATOM 723 NH1 ARG A 45 4.192 6.838 -12.020 1.00 0.00 N ATOM 724 NH2 ARG A 45 5.119 6.661 -14.081 1.00 0.00 N ATOM 0 H ARG A 45 -0.238 7.554 -10.278 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.853 8.300 -12.946 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.328 5.699 -11.439 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.926 5.625 -13.085 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.996 6.848 -13.930 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.532 7.248 -12.310 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.172 4.936 -11.862 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.393 4.371 -13.327 1.00 0.00 H new ATOM 0 HE ARG A 45 3.256 5.106 -14.588 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.448 6.633 -11.353 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.970 7.439 -11.748 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.107 6.315 -15.040 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.877 7.267 -13.767 1.00 0.00 H new ATOM 738 N ALA A 46 -3.231 6.728 -11.234 1.00 0.00 N ATOM 739 CA ALA A 46 -4.661 6.492 -11.160 1.00 0.00 C ATOM 740 C ALA A 46 -5.459 7.793 -11.197 1.00 0.00 C ATOM 741 O ALA A 46 -6.526 7.884 -11.798 1.00 0.00 O ATOM 742 CB ALA A 46 -4.985 5.703 -9.874 1.00 0.00 C ATOM 0 H ALA A 46 -2.726 6.394 -10.413 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.953 5.911 -12.035 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.059 5.525 -9.817 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.459 4.748 -9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.666 6.278 -9.004 1.00 0.00 H new ATOM 748 N GLY A 47 -4.915 8.857 -10.581 1.00 0.00 N ATOM 749 CA GLY A 47 -5.394 10.224 -10.749 1.00 0.00 C ATOM 750 C GLY A 47 -6.321 10.652 -9.657 1.00 0.00 C ATOM 751 O GLY A 47 -6.872 11.751 -9.679 1.00 0.00 O ATOM 0 H GLY A 47 -4.120 8.782 -9.946 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.541 10.902 -10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.905 10.310 -11.708 1.00 0.00 H new ATOM 755 N LEU A 48 -6.511 9.780 -8.659 1.00 0.00 N ATOM 756 CA LEU A 48 -7.441 9.954 -7.570 1.00 0.00 C ATOM 757 C LEU A 48 -6.940 10.887 -6.472 1.00 0.00 C ATOM 758 O LEU A 48 -5.863 11.483 -6.535 1.00 0.00 O ATOM 759 CB LEU A 48 -7.891 8.568 -7.027 1.00 0.00 C ATOM 760 CG LEU A 48 -6.788 7.618 -6.500 1.00 0.00 C ATOM 761 CD1 LEU A 48 -6.255 7.996 -5.109 1.00 0.00 C ATOM 762 CD2 LEU A 48 -7.329 6.181 -6.457 1.00 0.00 C ATOM 0 H LEU A 48 -5.993 8.903 -8.599 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.315 10.466 -7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.604 8.737 -6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.428 8.052 -7.823 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.950 7.707 -7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.486 7.284 -4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.828 8.999 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.072 7.974 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.553 5.511 -6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.193 6.137 -5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.625 5.873 -7.460 1.00 0.00 H new ATOM 774 N SER A 49 -7.759 11.066 -5.425 1.00 0.00 N ATOM 775 CA SER A 49 -7.482 11.965 -4.320 1.00 0.00 C ATOM 776 C SER A 49 -7.196 11.167 -3.068 1.00 0.00 C ATOM 777 O SER A 49 -8.073 10.471 -2.565 1.00 0.00 O ATOM 778 CB SER A 49 -8.695 12.878 -4.039 1.00 0.00 C ATOM 779 OG SER A 49 -9.034 13.613 -5.217 1.00 0.00 O ATOM 0 H SER A 49 -8.648 10.575 -5.331 1.00 0.00 H new ATOM 0 HA SER A 49 -6.620 12.574 -4.592 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.546 12.278 -3.717 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.463 13.565 -3.225 1.00 0.00 H new ATOM 0 HG SER A 49 -9.805 14.189 -5.033 1.00 0.00 H new ATOM 785 N MET A 50 -5.961 11.224 -2.524 1.00 0.00 N ATOM 786 CA MET A 50 -5.512 10.303 -1.483 1.00 0.00 C ATOM 787 C MET A 50 -6.306 10.293 -0.175 1.00 0.00 C ATOM 788 O MET A 50 -6.544 9.234 0.394 1.00 0.00 O ATOM 789 CB MET A 50 -4.006 10.507 -1.174 1.00 0.00 C ATOM 790 CG MET A 50 -3.425 9.484 -0.171 1.00 0.00 C ATOM 791 SD MET A 50 -1.629 9.579 0.067 1.00 0.00 S ATOM 792 CE MET A 50 -1.165 8.568 -1.365 1.00 0.00 C ATOM 0 H MET A 50 -5.258 11.910 -2.799 1.00 0.00 H new ATOM 0 HA MET A 50 -5.700 9.324 -1.925 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.443 10.447 -2.106 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.860 11.512 -0.778 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.912 9.627 0.794 1.00 0.00 H new ATOM 0 HG3 MET A 50 -3.679 8.480 -0.511 1.00 0.00 H new ATOM 0 HE1 MET A 50 -0.104 8.325 -1.311 1.00 0.00 H new ATOM 0 HE2 MET A 50 -1.748 7.647 -1.365 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.364 9.123 -2.282 1.00 0.00 H new ATOM 802 N GLN A 51 -6.758 11.451 0.350 1.00 0.00 N ATOM 803 CA GLN A 51 -7.378 11.523 1.670 1.00 0.00 C ATOM 804 C GLN A 51 -8.626 10.665 1.887 1.00 0.00 C ATOM 805 O GLN A 51 -8.886 10.186 2.990 1.00 0.00 O ATOM 806 CB GLN A 51 -7.727 12.979 2.057 1.00 0.00 C ATOM 807 CG GLN A 51 -6.518 13.937 1.986 1.00 0.00 C ATOM 808 CD GLN A 51 -6.700 15.083 2.977 1.00 0.00 C ATOM 809 OE1 GLN A 51 -7.518 15.994 2.809 1.00 0.00 O ATOM 810 NE2 GLN A 51 -5.942 15.021 4.088 1.00 0.00 N ATOM 0 H GLN A 51 -6.700 12.348 -0.131 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.603 11.107 2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -8.511 13.345 1.395 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -8.132 12.991 3.069 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.600 13.394 2.210 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.416 14.332 0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.273 14.261 4.207 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.037 15.734 4.811 1.00 0.00 H new ATOM 819 N VAL A 52 -9.413 10.426 0.824 1.00 0.00 N ATOM 820 CA VAL A 52 -10.617 9.613 0.880 1.00 0.00 C ATOM 821 C VAL A 52 -10.339 8.141 0.585 1.00 0.00 C ATOM 822 O VAL A 52 -11.259 7.345 0.399 1.00 0.00 O ATOM 823 CB VAL A 52 -11.697 10.142 -0.059 1.00 0.00 C ATOM 824 CG1 VAL A 52 -12.113 11.556 0.390 1.00 0.00 C ATOM 825 CG2 VAL A 52 -11.235 10.145 -1.530 1.00 0.00 C ATOM 0 H VAL A 52 -9.219 10.801 -0.104 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.983 9.683 1.904 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.557 9.474 -0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.885 11.938 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.502 11.515 1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.247 12.217 0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.036 10.529 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.355 10.779 -1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -10.988 9.128 -1.836 1.00 0.00 H new ATOM 835 N VAL A 53 -9.053 7.745 0.545 1.00 0.00 N ATOM 836 CA VAL A 53 -8.596 6.376 0.412 1.00 0.00 C ATOM 837 C VAL A 53 -7.843 6.012 1.684 1.00 0.00 C ATOM 838 O VAL A 53 -6.757 6.516 1.960 1.00 0.00 O ATOM 839 CB VAL A 53 -7.681 6.209 -0.797 1.00 0.00 C ATOM 840 CG1 VAL A 53 -7.212 4.749 -0.917 1.00 0.00 C ATOM 841 CG2 VAL A 53 -8.436 6.634 -2.072 1.00 0.00 C ATOM 0 H VAL A 53 -8.282 8.410 0.608 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.454 5.720 0.264 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.802 6.841 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.560 4.646 -1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.665 4.467 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.078 4.097 -1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.784 6.516 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.321 6.010 -2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.738 7.678 -1.985 1.00 0.00 H new ATOM 851 N ARG A 54 -8.413 5.147 2.546 1.00 0.00 N ATOM 852 CA ARG A 54 -7.760 4.761 3.790 1.00 0.00 C ATOM 853 C ARG A 54 -7.161 3.365 3.671 1.00 0.00 C ATOM 854 O ARG A 54 -7.600 2.573 2.845 1.00 0.00 O ATOM 855 CB ARG A 54 -8.716 4.840 5.010 1.00 0.00 C ATOM 856 CG ARG A 54 -9.685 6.051 5.022 1.00 0.00 C ATOM 857 CD ARG A 54 -9.069 7.455 4.878 1.00 0.00 C ATOM 858 NE ARG A 54 -7.991 7.623 5.911 1.00 0.00 N ATOM 859 CZ ARG A 54 -8.212 7.954 7.191 1.00 0.00 C ATOM 860 NH1 ARG A 54 -9.431 8.144 7.673 1.00 0.00 N ATOM 861 NH2 ARG A 54 -7.179 8.108 8.012 1.00 0.00 N ATOM 0 H ARG A 54 -9.322 4.709 2.395 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.958 5.478 3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.306 3.924 5.047 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.115 4.869 5.919 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.404 5.915 4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.246 6.024 5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.656 7.584 3.878 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.836 8.218 5.007 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.025 7.475 5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.242 8.039 7.064 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.558 8.395 8.653 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.229 7.974 7.667 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.336 8.360 8.988 1.00 0.00 H new ATOM 875 N PHE A 55 -6.134 3.040 4.486 1.00 0.00 N ATOM 876 CA PHE A 55 -5.430 1.767 4.408 1.00 0.00 C ATOM 877 C PHE A 55 -5.190 1.199 5.803 1.00 0.00 C ATOM 878 O PHE A 55 -4.528 1.832 6.629 1.00 0.00 O ATOM 879 CB PHE A 55 -4.013 1.942 3.788 1.00 0.00 C ATOM 880 CG PHE A 55 -4.045 2.444 2.374 1.00 0.00 C ATOM 881 CD1 PHE A 55 -4.146 1.538 1.309 1.00 0.00 C ATOM 882 CD2 PHE A 55 -3.906 3.815 2.092 1.00 0.00 C ATOM 883 CE1 PHE A 55 -4.103 1.987 -0.018 1.00 0.00 C ATOM 884 CE2 PHE A 55 -3.871 4.271 0.768 1.00 0.00 C ATOM 885 CZ PHE A 55 -3.964 3.354 -0.287 1.00 0.00 C ATOM 0 H PHE A 55 -5.779 3.662 5.213 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.054 1.112 3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.439 2.637 4.401 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.491 0.986 3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.258 0.483 1.513 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.826 4.523 2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.177 1.280 -0.831 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.773 5.326 0.561 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.928 3.702 -1.309 1.00 0.00 H new ATOM 895 N ARG A 56 -5.708 -0.006 6.123 1.00 0.00 N ATOM 896 CA ARG A 56 -5.356 -0.710 7.353 1.00 0.00 C ATOM 897 C ARG A 56 -4.568 -1.984 7.056 1.00 0.00 C ATOM 898 O ARG A 56 -4.707 -2.624 6.016 1.00 0.00 O ATOM 899 CB ARG A 56 -6.578 -1.062 8.251 1.00 0.00 C ATOM 900 CG ARG A 56 -7.124 0.089 9.132 1.00 0.00 C ATOM 901 CD ARG A 56 -7.722 1.302 8.412 1.00 0.00 C ATOM 902 NE ARG A 56 -8.871 0.825 7.587 1.00 0.00 N ATOM 903 CZ ARG A 56 -10.117 0.659 8.035 1.00 0.00 C ATOM 904 NH1 ARG A 56 -10.489 1.039 9.249 1.00 0.00 N ATOM 905 NH2 ARG A 56 -11.000 0.016 7.285 1.00 0.00 N ATOM 0 H ARG A 56 -6.375 -0.506 5.535 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.737 -0.008 7.911 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.385 -1.417 7.610 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.299 -1.891 8.902 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.889 -0.324 9.790 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.312 0.441 9.768 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.054 2.048 9.133 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.972 1.780 7.782 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.690 0.610 6.607 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.813 1.475 9.876 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.451 0.895 9.556 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.725 -0.348 6.373 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.954 -0.115 7.620 1.00 0.00 H new ATOM 919 N PHE A 57 -3.701 -2.385 8.005 1.00 0.00 N ATOM 920 CA PHE A 57 -2.927 -3.608 7.937 1.00 0.00 C ATOM 921 C PHE A 57 -3.075 -4.337 9.266 1.00 0.00 C ATOM 922 O PHE A 57 -2.466 -3.976 10.276 1.00 0.00 O ATOM 923 CB PHE A 57 -1.441 -3.304 7.614 1.00 0.00 C ATOM 924 CG PHE A 57 -0.665 -4.559 7.311 1.00 0.00 C ATOM 925 CD1 PHE A 57 -0.787 -5.185 6.058 1.00 0.00 C ATOM 926 CD2 PHE A 57 0.175 -5.132 8.279 1.00 0.00 C ATOM 927 CE1 PHE A 57 -0.076 -6.360 5.776 1.00 0.00 C ATOM 928 CE2 PHE A 57 0.887 -6.308 8.001 1.00 0.00 C ATOM 929 CZ PHE A 57 0.761 -6.922 6.748 1.00 0.00 C ATOM 0 H PHE A 57 -3.526 -1.846 8.853 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.297 -4.243 7.132 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.386 -2.628 6.761 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.984 -2.789 8.459 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.434 -4.757 5.306 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.274 -4.663 9.247 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.174 -6.832 4.809 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.532 -6.740 8.752 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.309 -7.827 6.532 1.00 0.00 H new ATOM 939 N ASP A 58 -3.931 -5.385 9.281 1.00 0.00 N ATOM 940 CA ASP A 58 -4.302 -6.159 10.453 1.00 0.00 C ATOM 941 C ASP A 58 -4.851 -5.298 11.607 1.00 0.00 C ATOM 942 O ASP A 58 -4.200 -5.056 12.628 1.00 0.00 O ATOM 943 CB ASP A 58 -3.156 -7.144 10.820 1.00 0.00 C ATOM 944 CG ASP A 58 -3.510 -8.068 11.958 1.00 0.00 C ATOM 945 OD1 ASP A 58 -4.624 -8.655 11.969 1.00 0.00 O ATOM 946 OD2 ASP A 58 -2.662 -8.200 12.882 1.00 0.00 O ATOM 0 H ASP A 58 -4.393 -5.715 8.433 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.164 -6.780 10.211 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.902 -7.739 9.943 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.266 -6.573 11.087 1.00 0.00 H new ATOM 951 N GLY A 59 -6.083 -4.765 11.438 1.00 0.00 N ATOM 952 CA GLY A 59 -6.733 -3.866 12.397 1.00 0.00 C ATOM 953 C GLY A 59 -6.224 -2.443 12.363 1.00 0.00 C ATOM 954 O GLY A 59 -6.969 -1.485 12.177 1.00 0.00 O ATOM 0 H GLY A 59 -6.656 -4.956 10.616 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.805 -3.860 12.202 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.594 -4.265 13.402 1.00 0.00 H new ATOM 958 N GLN A 60 -4.909 -2.276 12.567 1.00 0.00 N ATOM 959 CA GLN A 60 -4.235 -1.010 12.738 1.00 0.00 C ATOM 960 C GLN A 60 -4.024 -0.254 11.424 1.00 0.00 C ATOM 961 O GLN A 60 -3.955 -0.880 10.364 1.00 0.00 O ATOM 962 CB GLN A 60 -2.842 -1.276 13.371 1.00 0.00 C ATOM 963 CG GLN A 60 -2.892 -2.051 14.710 1.00 0.00 C ATOM 964 CD GLN A 60 -3.517 -1.230 15.833 1.00 0.00 C ATOM 965 OE1 GLN A 60 -4.620 -1.495 16.300 1.00 0.00 O ATOM 966 NE2 GLN A 60 -2.756 -0.226 16.326 1.00 0.00 N ATOM 0 H GLN A 60 -4.268 -3.068 12.617 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.869 -0.392 13.373 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.234 -1.837 12.662 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.341 -0.322 13.535 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.463 -2.970 14.574 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.881 -2.343 14.996 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.843 -0.030 15.916 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.095 0.335 17.107 1.00 0.00 H new ATOM 975 N PRO A 61 -3.891 1.074 11.391 1.00 0.00 N ATOM 976 CA PRO A 61 -3.494 1.788 10.180 1.00 0.00 C ATOM 977 C PRO A 61 -2.047 1.490 9.813 1.00 0.00 C ATOM 978 O PRO A 61 -1.227 1.228 10.693 1.00 0.00 O ATOM 979 CB PRO A 61 -3.702 3.267 10.557 1.00 0.00 C ATOM 980 CG PRO A 61 -3.499 3.306 12.076 1.00 0.00 C ATOM 981 CD PRO A 61 -4.089 1.973 12.534 1.00 0.00 C ATOM 0 HA PRO A 61 -4.068 1.497 9.301 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.988 3.912 10.044 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.699 3.611 10.280 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.445 3.393 12.341 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.013 4.153 12.531 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.584 1.600 13.425 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.145 2.071 12.784 1.00 0.00 H new ATOM 989 N ILE A 62 -1.703 1.499 8.515 1.00 0.00 N ATOM 990 CA ILE A 62 -0.371 1.127 8.060 1.00 0.00 C ATOM 991 C ILE A 62 0.623 2.293 8.106 1.00 0.00 C ATOM 992 O ILE A 62 0.282 3.455 7.866 1.00 0.00 O ATOM 993 CB ILE A 62 -0.423 0.472 6.677 1.00 0.00 C ATOM 994 CG1 ILE A 62 0.872 -0.317 6.359 1.00 0.00 C ATOM 995 CG2 ILE A 62 -0.775 1.510 5.588 1.00 0.00 C ATOM 996 CD1 ILE A 62 0.792 -1.157 5.079 1.00 0.00 C ATOM 0 H ILE A 62 -2.341 1.763 7.764 1.00 0.00 H new ATOM 0 HA ILE A 62 0.007 0.387 8.765 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.225 -0.266 6.686 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.700 0.386 6.269 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.101 -0.974 7.199 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.806 1.020 4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.749 1.948 5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.019 2.295 5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.737 -1.678 4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.014 -1.885 5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.596 -0.505 4.228 1.00 0.00 H new ATOM 1008 N ASN A 63 1.903 2.007 8.441 1.00 0.00 N ATOM 1009 CA ASN A 63 2.972 2.980 8.351 1.00 0.00 C ATOM 1010 C ASN A 63 3.579 2.919 6.951 1.00 0.00 C ATOM 1011 O ASN A 63 3.732 1.862 6.347 1.00 0.00 O ATOM 1012 CB ASN A 63 4.039 2.776 9.462 1.00 0.00 C ATOM 1013 CG ASN A 63 4.802 4.075 9.733 1.00 0.00 C ATOM 1014 OD1 ASN A 63 4.878 4.976 8.895 1.00 0.00 O ATOM 1015 ND2 ASN A 63 5.347 4.199 10.961 1.00 0.00 N ATOM 0 H ASN A 63 2.204 1.093 8.778 1.00 0.00 H new ATOM 0 HA ASN A 63 2.563 3.977 8.516 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.556 2.436 10.378 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.738 1.995 9.162 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.838 5.056 11.217 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.268 3.436 11.633 1.00 0.00 H new ATOM 1022 N GLU A 64 3.904 4.089 6.393 1.00 0.00 N ATOM 1023 CA GLU A 64 4.274 4.268 5.006 1.00 0.00 C ATOM 1024 C GLU A 64 5.787 4.257 4.816 1.00 0.00 C ATOM 1025 O GLU A 64 6.302 4.036 3.718 1.00 0.00 O ATOM 1026 CB GLU A 64 3.736 5.646 4.560 1.00 0.00 C ATOM 1027 CG GLU A 64 2.203 5.795 4.715 1.00 0.00 C ATOM 1028 CD GLU A 64 1.812 7.252 4.719 1.00 0.00 C ATOM 1029 OE1 GLU A 64 1.970 7.934 3.677 1.00 0.00 O ATOM 1030 OE2 GLU A 64 1.399 7.769 5.790 1.00 0.00 O ATOM 0 H GLU A 64 3.914 4.961 6.922 1.00 0.00 H new ATOM 0 HA GLU A 64 3.857 3.450 4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.229 6.424 5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.005 5.811 3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.697 5.279 3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.878 5.322 5.642 1.00 0.00 H new ATOM 1037 N ASN A 65 6.526 4.539 5.903 1.00 0.00 N ATOM 1038 CA ASN A 65 7.952 4.795 5.898 1.00 0.00 C ATOM 1039 C ASN A 65 8.798 3.523 5.937 1.00 0.00 C ATOM 1040 O ASN A 65 9.863 3.443 5.324 1.00 0.00 O ATOM 1041 CB ASN A 65 8.263 5.693 7.123 1.00 0.00 C ATOM 1042 CG ASN A 65 9.694 6.209 7.092 1.00 0.00 C ATOM 1043 OD1 ASN A 65 10.193 6.679 6.059 1.00 0.00 O ATOM 1044 ND2 ASN A 65 10.391 6.141 8.242 1.00 0.00 N ATOM 0 H ASN A 65 6.119 4.594 6.837 1.00 0.00 H new ATOM 0 HA ASN A 65 8.215 5.287 4.961 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.572 6.536 7.141 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.100 5.127 8.040 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.352 6.481 8.277 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.958 5.750 9.079 1.00 0.00 H new ATOM 1051 N ASP A 66 8.363 2.516 6.708 1.00 0.00 N ATOM 1052 CA ASP A 66 9.112 1.305 6.943 1.00 0.00 C ATOM 1053 C ASP A 66 9.154 0.345 5.748 1.00 0.00 C ATOM 1054 O ASP A 66 8.501 0.511 4.717 1.00 0.00 O ATOM 1055 CB ASP A 66 8.557 0.553 8.182 1.00 0.00 C ATOM 1056 CG ASP A 66 8.452 1.471 9.382 1.00 0.00 C ATOM 1057 OD1 ASP A 66 7.511 2.304 9.430 1.00 0.00 O ATOM 1058 OD2 ASP A 66 9.272 1.329 10.326 1.00 0.00 O ATOM 0 H ASP A 66 7.463 2.535 7.188 1.00 0.00 H new ATOM 0 HA ASP A 66 10.137 1.633 7.117 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.575 0.141 7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.208 -0.288 8.421 1.00 0.00 H new ATOM 1063 N THR A 67 9.982 -0.700 5.881 1.00 0.00 N ATOM 1064 CA THR A 67 10.169 -1.759 4.902 1.00 0.00 C ATOM 1065 C THR A 67 9.461 -3.023 5.373 1.00 0.00 C ATOM 1066 O THR A 67 9.288 -3.200 6.581 1.00 0.00 O ATOM 1067 CB THR A 67 11.647 -2.121 4.738 1.00 0.00 C ATOM 1068 OG1 THR A 67 12.254 -2.436 5.989 1.00 0.00 O ATOM 1069 CG2 THR A 67 12.414 -0.921 4.166 1.00 0.00 C ATOM 0 H THR A 67 10.560 -0.828 6.711 1.00 0.00 H new ATOM 0 HA THR A 67 9.767 -1.394 3.957 1.00 0.00 H new ATOM 0 HB THR A 67 11.691 -2.985 4.075 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.771 -3.264 5.902 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.466 -1.183 4.051 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.998 -0.653 3.195 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.323 -0.074 4.846 1.00 0.00 H new ATOM 1077 N PRO A 68 9.068 -3.975 4.529 1.00 0.00 N ATOM 1078 CA PRO A 68 8.548 -5.259 5.004 1.00 0.00 C ATOM 1079 C PRO A 68 9.634 -6.163 5.576 1.00 0.00 C ATOM 1080 O PRO A 68 9.292 -7.188 6.162 1.00 0.00 O ATOM 1081 CB PRO A 68 7.869 -5.859 3.764 1.00 0.00 C ATOM 1082 CG PRO A 68 8.608 -5.225 2.585 1.00 0.00 C ATOM 1083 CD PRO A 68 8.915 -3.812 3.082 1.00 0.00 C ATOM 0 HA PRO A 68 7.858 -5.141 5.839 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.955 -6.945 3.750 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.805 -5.623 3.740 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.518 -5.772 2.340 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.993 -5.210 1.685 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.822 -3.416 2.626 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.109 -3.119 2.841 1.00 0.00 H new ATOM 1091 N THR A 69 10.934 -5.805 5.478 1.00 0.00 N ATOM 1092 CA THR A 69 12.011 -6.414 6.271 1.00 0.00 C ATOM 1093 C THR A 69 11.954 -5.985 7.722 1.00 0.00 C ATOM 1094 O THR A 69 12.210 -6.763 8.629 1.00 0.00 O ATOM 1095 CB THR A 69 13.424 -6.114 5.777 1.00 0.00 C ATOM 1096 OG1 THR A 69 13.608 -4.738 5.467 1.00 0.00 O ATOM 1097 CG2 THR A 69 13.667 -6.879 4.480 1.00 0.00 C ATOM 0 H THR A 69 11.261 -5.080 4.840 1.00 0.00 H new ATOM 0 HA THR A 69 11.826 -7.482 6.157 1.00 0.00 H new ATOM 0 HB THR A 69 14.107 -6.403 6.576 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.526 -4.592 5.157 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.674 -6.672 4.118 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.560 -7.948 4.663 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.941 -6.565 3.731 1.00 0.00 H new ATOM 1105 N SER A 70 11.557 -4.733 8.010 1.00 0.00 N ATOM 1106 CA SER A 70 11.481 -4.216 9.375 1.00 0.00 C ATOM 1107 C SER A 70 10.357 -4.827 10.193 1.00 0.00 C ATOM 1108 O SER A 70 10.350 -4.762 11.421 1.00 0.00 O ATOM 1109 CB SER A 70 11.301 -2.679 9.404 1.00 0.00 C ATOM 1110 OG SER A 70 12.423 -2.037 8.792 1.00 0.00 O ATOM 0 H SER A 70 11.281 -4.056 7.298 1.00 0.00 H new ATOM 0 HA SER A 70 12.435 -4.497 9.821 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.385 -2.403 8.881 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.195 -2.338 10.434 1.00 0.00 H new ATOM 0 HG SER A 70 12.384 -2.165 7.821 1.00 0.00 H new ATOM 1116 N LEU A 71 9.376 -5.455 9.522 1.00 0.00 N ATOM 1117 CA LEU A 71 8.285 -6.176 10.150 1.00 0.00 C ATOM 1118 C LEU A 71 8.372 -7.678 9.857 1.00 0.00 C ATOM 1119 O LEU A 71 7.452 -8.433 10.158 1.00 0.00 O ATOM 1120 CB LEU A 71 6.961 -5.568 9.608 1.00 0.00 C ATOM 1121 CG LEU A 71 5.689 -5.835 10.442 1.00 0.00 C ATOM 1122 CD1 LEU A 71 5.772 -5.218 11.849 1.00 0.00 C ATOM 1123 CD2 LEU A 71 4.451 -5.296 9.705 1.00 0.00 C ATOM 0 H LEU A 71 9.330 -5.468 8.503 1.00 0.00 H new ATOM 0 HA LEU A 71 8.333 -6.074 11.234 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.091 -4.489 9.520 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.796 -5.952 8.601 1.00 0.00 H new ATOM 0 HG LEU A 71 5.604 -6.915 10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.854 -5.433 12.396 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.621 -5.644 12.384 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.900 -4.139 11.766 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.560 -5.489 10.302 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.558 -4.222 9.550 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.357 -5.794 8.740 1.00 0.00 H new ATOM 1135 N GLU A 72 9.492 -8.137 9.245 1.00 0.00 N ATOM 1136 CA GLU A 72 9.692 -9.432 8.586 1.00 0.00 C ATOM 1137 C GLU A 72 8.450 -10.162 8.067 1.00 0.00 C ATOM 1138 O GLU A 72 7.966 -11.133 8.649 1.00 0.00 O ATOM 1139 CB GLU A 72 10.665 -10.378 9.349 1.00 0.00 C ATOM 1140 CG GLU A 72 12.071 -9.752 9.539 1.00 0.00 C ATOM 1141 CD GLU A 72 13.164 -10.716 9.974 1.00 0.00 C ATOM 1142 OE1 GLU A 72 12.986 -11.466 10.965 1.00 0.00 O ATOM 1143 OE2 GLU A 72 14.276 -10.653 9.371 1.00 0.00 O ATOM 0 H GLU A 72 10.334 -7.563 9.201 1.00 0.00 H new ATOM 0 HA GLU A 72 10.187 -9.123 7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.243 -10.619 10.325 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.759 -11.316 8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.373 -9.288 8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.998 -8.955 10.279 1.00 0.00 H new ATOM 1150 N MET A 73 7.907 -9.672 6.933 1.00 0.00 N ATOM 1151 CA MET A 73 6.737 -10.233 6.271 1.00 0.00 C ATOM 1152 C MET A 73 7.126 -11.131 5.102 1.00 0.00 C ATOM 1153 O MET A 73 8.280 -11.175 4.672 1.00 0.00 O ATOM 1154 CB MET A 73 5.760 -9.113 5.827 1.00 0.00 C ATOM 1155 CG MET A 73 4.999 -8.518 7.030 1.00 0.00 C ATOM 1156 SD MET A 73 3.742 -9.654 7.695 1.00 0.00 S ATOM 1157 CE MET A 73 3.815 -9.065 9.409 1.00 0.00 C ATOM 0 H MET A 73 8.287 -8.857 6.451 1.00 0.00 H new ATOM 0 HA MET A 73 6.218 -10.860 6.996 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.315 -8.324 5.320 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.047 -9.515 5.107 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.710 -8.268 7.817 1.00 0.00 H new ATOM 0 HG3 MET A 73 4.519 -7.588 6.727 1.00 0.00 H new ATOM 0 HE1 MET A 73 3.111 -9.631 10.019 1.00 0.00 H new ATOM 0 HE2 MET A 73 4.824 -9.202 9.798 1.00 0.00 H new ATOM 0 HE3 MET A 73 3.555 -8.007 9.442 1.00 0.00 H new ATOM 1167 N GLU A 74 6.168 -11.927 4.587 1.00 0.00 N ATOM 1168 CA GLU A 74 6.493 -13.132 3.847 1.00 0.00 C ATOM 1169 C GLU A 74 6.360 -12.988 2.341 1.00 0.00 C ATOM 1170 O GLU A 74 7.364 -13.006 1.623 1.00 0.00 O ATOM 1171 CB GLU A 74 5.652 -14.324 4.374 1.00 0.00 C ATOM 1172 CG GLU A 74 6.043 -15.682 3.739 1.00 0.00 C ATOM 1173 CD GLU A 74 5.480 -16.863 4.503 1.00 0.00 C ATOM 1174 OE1 GLU A 74 4.244 -17.089 4.508 1.00 0.00 O ATOM 1175 OE2 GLU A 74 6.284 -17.614 5.114 1.00 0.00 O ATOM 0 H GLU A 74 5.168 -11.745 4.677 1.00 0.00 H new ATOM 0 HA GLU A 74 7.551 -13.326 4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.768 -14.391 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.598 -14.130 4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.685 -15.715 2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.129 -15.762 3.701 1.00 0.00 H new ATOM 1182 N GLU A 75 5.119 -12.874 1.841 1.00 0.00 N ATOM 1183 CA GLU A 75 4.727 -12.930 0.441 1.00 0.00 C ATOM 1184 C GLU A 75 3.216 -13.083 0.391 1.00 0.00 C ATOM 1185 O GLU A 75 2.610 -13.873 1.125 1.00 0.00 O ATOM 1186 CB GLU A 75 5.403 -14.071 -0.384 1.00 0.00 C ATOM 1187 CG GLU A 75 4.744 -14.471 -1.738 1.00 0.00 C ATOM 1188 CD GLU A 75 4.595 -13.357 -2.758 1.00 0.00 C ATOM 1189 OE1 GLU A 75 5.201 -12.268 -2.603 1.00 0.00 O ATOM 1190 OE2 GLU A 75 3.856 -13.571 -3.754 1.00 0.00 O ATOM 0 H GLU A 75 4.316 -12.731 2.453 1.00 0.00 H new ATOM 0 HA GLU A 75 5.067 -12.006 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.432 -13.775 -0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.445 -14.960 0.245 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.335 -15.270 -2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.756 -14.883 -1.531 1.00 0.00 H new ATOM 1197 N GLY A 76 2.540 -12.302 -0.479 1.00 0.00 N ATOM 1198 CA GLY A 76 1.090 -12.333 -0.633 1.00 0.00 C ATOM 1199 C GLY A 76 0.353 -11.691 0.510 1.00 0.00 C ATOM 1200 O GLY A 76 -0.808 -12.005 0.763 1.00 0.00 O ATOM 0 H GLY A 76 3.000 -11.631 -1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.820 -11.827 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.765 -13.369 -0.729 1.00 0.00 H new ATOM 1204 N ASP A 77 1.021 -10.793 1.243 1.00 0.00 N ATOM 1205 CA ASP A 77 0.546 -10.234 2.489 1.00 0.00 C ATOM 1206 C ASP A 77 -0.624 -9.268 2.259 1.00 0.00 C ATOM 1207 O ASP A 77 -0.660 -8.501 1.299 1.00 0.00 O ATOM 1208 CB ASP A 77 1.731 -9.585 3.262 1.00 0.00 C ATOM 1209 CG ASP A 77 2.976 -10.447 3.123 1.00 0.00 C ATOM 1210 OD1 ASP A 77 3.209 -11.361 3.958 1.00 0.00 O ATOM 1211 OD2 ASP A 77 3.686 -10.252 2.105 1.00 0.00 O ATOM 0 H ASP A 77 1.934 -10.432 0.967 1.00 0.00 H new ATOM 0 HA ASP A 77 0.149 -11.034 3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.925 -8.585 2.874 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.472 -9.473 4.315 1.00 0.00 H new ATOM 1216 N THR A 78 -1.667 -9.340 3.105 1.00 0.00 N ATOM 1217 CA THR A 78 -2.963 -8.725 2.821 1.00 0.00 C ATOM 1218 C THR A 78 -3.145 -7.326 3.388 1.00 0.00 C ATOM 1219 O THR A 78 -3.162 -7.143 4.605 1.00 0.00 O ATOM 1220 CB THR A 78 -4.129 -9.553 3.358 1.00 0.00 C ATOM 1221 OG1 THR A 78 -3.986 -9.804 4.755 1.00 0.00 O ATOM 1222 CG2 THR A 78 -4.164 -10.917 2.655 1.00 0.00 C ATOM 0 H THR A 78 -1.629 -9.826 4.001 1.00 0.00 H new ATOM 0 HA THR A 78 -2.967 -8.675 1.732 1.00 0.00 H new ATOM 0 HB THR A 78 -5.041 -8.986 3.174 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.656 -8.996 5.200 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.997 -11.504 3.041 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.290 -10.770 1.582 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.230 -11.447 2.842 1.00 0.00 H new ATOM 1230 N ILE A 79 -3.363 -6.317 2.524 1.00 0.00 N ATOM 1231 CA ILE A 79 -3.747 -4.971 2.929 1.00 0.00 C ATOM 1232 C ILE A 79 -5.183 -4.696 2.485 1.00 0.00 C ATOM 1233 O ILE A 79 -5.624 -5.140 1.423 1.00 0.00 O ATOM 1234 CB ILE A 79 -2.765 -3.914 2.410 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -2.973 -2.537 3.081 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -2.807 -3.822 0.871 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -1.910 -1.505 2.688 1.00 0.00 C ATOM 0 H ILE A 79 -3.274 -6.425 1.514 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.704 -4.906 4.016 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.764 -4.240 2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.958 -2.155 2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.965 -2.663 4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.100 -3.064 0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.538 -4.787 0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.812 -3.550 0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.115 -0.561 3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.925 -1.868 2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.933 -1.351 1.609 1.00 0.00 H new ATOM 1249 N GLU A 80 -5.975 -3.972 3.301 1.00 0.00 N ATOM 1250 CA GLU A 80 -7.308 -3.543 2.918 1.00 0.00 C ATOM 1251 C GLU A 80 -7.292 -2.069 2.567 1.00 0.00 C ATOM 1252 O GLU A 80 -6.485 -1.291 3.077 1.00 0.00 O ATOM 1253 CB GLU A 80 -8.371 -3.864 4.001 1.00 0.00 C ATOM 1254 CG GLU A 80 -8.192 -3.134 5.356 1.00 0.00 C ATOM 1255 CD GLU A 80 -9.069 -1.902 5.515 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -10.290 -2.070 5.772 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -8.544 -0.760 5.510 1.00 0.00 O ATOM 0 H GLU A 80 -5.698 -3.676 4.237 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.602 -4.111 2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.355 -3.616 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.363 -4.938 4.184 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.412 -3.831 6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.148 -2.841 5.464 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.159 -1.672 1.623 1.00 0.00 N ATOM 1265 CA VAL A 81 -8.287 -0.310 1.163 1.00 0.00 C ATOM 1266 C VAL A 81 -9.725 0.146 1.330 1.00 0.00 C ATOM 1267 O VAL A 81 -10.682 -0.526 0.940 1.00 0.00 O ATOM 1268 CB VAL A 81 -7.869 -0.133 -0.294 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -7.750 1.363 -0.624 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -6.521 -0.831 -0.534 1.00 0.00 C ATOM 0 H VAL A 81 -8.799 -2.316 1.157 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.614 0.297 1.768 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.624 -0.580 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.451 1.483 -1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.713 1.849 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.001 1.820 0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.225 -0.703 -1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.763 -0.392 0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.617 -1.894 -0.312 1.00 0.00 H new ATOM 1280 N TYR A 82 -9.915 1.329 1.931 1.00 0.00 N ATOM 1281 CA TYR A 82 -11.211 1.920 2.164 1.00 0.00 C ATOM 1282 C TYR A 82 -11.364 3.176 1.314 1.00 0.00 C ATOM 1283 O TYR A 82 -11.077 4.284 1.769 1.00 0.00 O ATOM 1284 CB TYR A 82 -11.355 2.225 3.679 1.00 0.00 C ATOM 1285 CG TYR A 82 -12.784 2.226 4.138 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -13.625 3.331 3.918 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -13.282 1.117 4.835 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -14.948 3.320 4.388 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -14.597 1.109 5.315 1.00 0.00 C ATOM 1290 CZ TYR A 82 -15.429 2.206 5.085 1.00 0.00 C ATOM 1291 OH TYR A 82 -16.749 2.185 5.565 1.00 0.00 O ATOM 0 H TYR A 82 -9.144 1.904 2.271 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.005 1.232 1.874 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.795 1.483 4.249 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.908 3.196 3.894 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.251 4.193 3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.646 0.261 5.003 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -15.592 4.169 4.212 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.967 0.255 5.863 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.917 1.336 6.024 1.00 0.00 H new ATOM 1301 N GLN A 83 -11.810 3.049 0.045 1.00 0.00 N ATOM 1302 CA GLN A 83 -12.189 4.192 -0.774 1.00 0.00 C ATOM 1303 C GLN A 83 -13.683 4.464 -0.683 1.00 0.00 C ATOM 1304 O GLN A 83 -14.494 3.554 -0.514 1.00 0.00 O ATOM 1305 CB GLN A 83 -11.862 4.040 -2.292 1.00 0.00 C ATOM 1306 CG GLN A 83 -10.573 3.256 -2.622 1.00 0.00 C ATOM 1307 CD GLN A 83 -10.883 1.780 -2.877 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -10.956 0.964 -1.956 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -11.121 1.441 -4.162 1.00 0.00 N ATOM 0 H GLN A 83 -11.912 2.150 -0.427 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.594 5.009 -0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.702 3.544 -2.778 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.783 5.035 -2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.094 3.688 -3.501 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.866 3.346 -1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.051 2.145 -4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.371 0.481 -4.398 1.00 0.00 H new ATOM 1318 N GLN A 84 -14.105 5.728 -0.871 1.00 0.00 N ATOM 1319 CA GLN A 84 -15.513 6.065 -1.003 1.00 0.00 C ATOM 1320 C GLN A 84 -16.089 5.728 -2.387 1.00 0.00 C ATOM 1321 O GLN A 84 -16.348 6.584 -3.234 1.00 0.00 O ATOM 1322 CB GLN A 84 -15.807 7.523 -0.562 1.00 0.00 C ATOM 1323 CG GLN A 84 -15.035 8.643 -1.300 1.00 0.00 C ATOM 1324 CD GLN A 84 -15.316 9.995 -0.639 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -15.163 10.175 0.571 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -15.727 11.002 -1.446 1.00 0.00 N ATOM 0 H GLN A 84 -13.477 6.529 -0.934 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.048 5.418 -0.307 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -16.874 7.707 -0.686 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.591 7.606 0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.965 8.434 -1.279 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -15.333 8.672 -2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.849 10.837 -2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -15.915 11.925 -1.055 1.00 0.00 H new ATOM 1335 N GLN A 85 -16.297 4.416 -2.634 1.00 0.00 N ATOM 1336 CA GLN A 85 -17.008 3.824 -3.761 1.00 0.00 C ATOM 1337 C GLN A 85 -16.342 3.898 -5.134 1.00 0.00 C ATOM 1338 O GLN A 85 -16.356 2.930 -5.894 1.00 0.00 O ATOM 1339 CB GLN A 85 -18.491 4.273 -3.805 1.00 0.00 C ATOM 1340 CG GLN A 85 -19.365 3.441 -4.775 1.00 0.00 C ATOM 1341 CD GLN A 85 -20.852 3.563 -4.453 1.00 0.00 C ATOM 1342 OE1 GLN A 85 -21.654 4.130 -5.200 1.00 0.00 O ATOM 1343 NE2 GLN A 85 -21.246 3.004 -3.289 1.00 0.00 N ATOM 0 H GLN A 85 -15.942 3.702 -1.998 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.960 2.758 -3.540 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -18.912 4.205 -2.802 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -18.535 5.322 -4.099 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -19.187 3.773 -5.798 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -19.068 2.394 -4.723 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -20.564 2.541 -2.689 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -22.226 3.045 -3.010 1.00 0.00 H new ATOM 1352 N THR A 86 -15.740 5.039 -5.503 1.00 0.00 N ATOM 1353 CA THR A 86 -14.976 5.181 -6.738 1.00 0.00 C ATOM 1354 C THR A 86 -13.489 5.307 -6.454 1.00 0.00 C ATOM 1355 O THR A 86 -13.059 5.764 -5.397 1.00 0.00 O ATOM 1356 CB THR A 86 -15.444 6.343 -7.625 1.00 0.00 C ATOM 1357 OG1 THR A 86 -14.911 6.233 -8.939 1.00 0.00 O ATOM 1358 CG2 THR A 86 -15.055 7.714 -7.052 1.00 0.00 C ATOM 0 H THR A 86 -15.774 5.892 -4.944 1.00 0.00 H new ATOM 0 HA THR A 86 -15.161 4.265 -7.300 1.00 0.00 H new ATOM 0 HB THR A 86 -16.531 6.275 -7.657 1.00 0.00 H new ATOM 0 HG1 THR A 86 -14.887 7.119 -9.358 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.410 8.501 -7.718 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.508 7.839 -6.069 1.00 0.00 H new ATOM 0 HG23 THR A 86 -13.970 7.776 -6.962 1.00 0.00 H new ATOM 1366 N GLY A 87 -12.656 4.907 -7.431 1.00 0.00 N ATOM 1367 CA GLY A 87 -11.235 5.218 -7.496 1.00 0.00 C ATOM 1368 C GLY A 87 -10.923 6.044 -8.717 1.00 0.00 C ATOM 1369 O GLY A 87 -9.774 6.122 -9.144 1.00 0.00 O ATOM 0 H GLY A 87 -12.973 4.341 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.935 5.760 -6.599 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.657 4.294 -7.519 1.00 0.00 H new ATOM 1373 N GLY A 88 -11.952 6.673 -9.311 1.00 0.00 N ATOM 1374 CA GLY A 88 -11.863 7.501 -10.502 1.00 0.00 C ATOM 1375 C GLY A 88 -12.811 8.696 -10.375 1.00 0.00 C ATOM 1376 O GLY A 88 -13.998 8.523 -9.998 1.00 0.00 O ATOM 1377 OXT GLY A 88 -12.367 9.850 -10.618 1.00 0.00 O ATOM 0 H GLY A 88 -12.904 6.608 -8.950 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.839 7.850 -10.638 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.119 6.914 -11.384 1.00 0.00 H new TER 1381 GLY A 88