USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 724 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 50 THR OG1 : rot -39:sc= -1.42! USER MOD Set 1.2: A 57 GLN : amide:sc= -4.37 K(o=-5.8,f=-17!) USER MOD Set 2.1: A 27 THR OG1 : rot 140:sc= -0.706 USER MOD Set 2.2: A 29 HIS : no HD1:sc=-0.000467 K(o=-0.71,f=0.093) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.127) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.84) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.211 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0491 USER MOD Single : A 43 LYS NZ :NH3+ 149:sc= 0.585 (180deg=-0.0961) USER MOD Single : A 44 GLN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 141:sc= -1.13 (180deg=-2.65!) USER MOD Single : A 47 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.029) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 148:sc= -0.231 (180deg=-1.38) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -87:sc= 0.457 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -147:sc= -0.175 (180deg=-0.629) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 33:sc= 0.0361 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.624 -16.583 -29.546 1.00 0.00 N ATOM 2 CA GLY A 1 3.190 -15.212 -29.750 1.00 0.00 C ATOM 3 C GLY A 1 2.285 -14.747 -28.608 1.00 0.00 C ATOM 4 O GLY A 1 2.726 -14.024 -27.716 1.00 0.00 O ATOM 0 H1 GLY A 1 4.237 -16.874 -30.334 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.153 -16.650 -28.653 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.793 -17.207 -29.504 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.059 -14.558 -29.819 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.656 -15.133 -30.697 1.00 0.00 H new ATOM 8 N SER A 2 1.035 -15.180 -28.672 1.00 0.00 N ATOM 9 CA SER A 2 0.063 -14.818 -27.654 1.00 0.00 C ATOM 10 C SER A 2 -0.090 -13.297 -27.595 1.00 0.00 C ATOM 11 O SER A 2 0.793 -12.563 -28.037 1.00 0.00 O ATOM 12 CB SER A 2 0.471 -15.364 -26.285 1.00 0.00 C ATOM 13 OG SER A 2 -0.018 -16.685 -26.070 1.00 0.00 O ATOM 0 H SER A 2 0.672 -15.779 -29.414 1.00 0.00 H new ATOM 0 HA SER A 2 -0.895 -15.263 -27.922 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.558 -15.362 -26.203 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.091 -14.705 -25.504 1.00 0.00 H new ATOM 0 HG SER A 2 0.265 -16.999 -25.186 1.00 0.00 H new ATOM 19 N SER A 3 -1.216 -12.868 -27.045 1.00 0.00 N ATOM 20 CA SER A 3 -1.496 -11.447 -26.923 1.00 0.00 C ATOM 21 C SER A 3 -2.044 -11.141 -25.528 1.00 0.00 C ATOM 22 O SER A 3 -2.339 -12.054 -24.758 1.00 0.00 O ATOM 23 CB SER A 3 -2.485 -10.986 -27.995 1.00 0.00 C ATOM 24 OG SER A 3 -2.145 -9.706 -28.520 1.00 0.00 O ATOM 0 H SER A 3 -1.946 -13.479 -26.679 1.00 0.00 H new ATOM 0 HA SER A 3 -0.564 -10.901 -27.069 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.508 -11.715 -28.805 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.488 -10.949 -27.571 1.00 0.00 H new ATOM 0 HG SER A 3 -2.799 -9.448 -29.202 1.00 0.00 H new ATOM 30 N GLY A 4 -2.164 -9.852 -25.244 1.00 0.00 N ATOM 31 CA GLY A 4 -2.672 -9.413 -23.955 1.00 0.00 C ATOM 32 C GLY A 4 -3.349 -8.046 -24.069 1.00 0.00 C ATOM 33 O GLY A 4 -3.670 -7.598 -25.169 1.00 0.00 O ATOM 0 H GLY A 4 -1.918 -9.097 -25.885 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.384 -10.144 -23.572 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.854 -9.359 -23.237 1.00 0.00 H new ATOM 37 N SER A 5 -3.546 -7.422 -22.917 1.00 0.00 N ATOM 38 CA SER A 5 -4.179 -6.114 -22.874 1.00 0.00 C ATOM 39 C SER A 5 -4.187 -5.584 -21.439 1.00 0.00 C ATOM 40 O SER A 5 -4.425 -6.337 -20.496 1.00 0.00 O ATOM 41 CB SER A 5 -5.606 -6.175 -23.425 1.00 0.00 C ATOM 42 OG SER A 5 -6.363 -7.226 -22.831 1.00 0.00 O ATOM 0 H SER A 5 -3.279 -7.797 -22.007 1.00 0.00 H new ATOM 0 HA SER A 5 -3.604 -5.434 -23.503 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.105 -5.223 -23.246 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.572 -6.318 -24.505 1.00 0.00 H new ATOM 0 HG SER A 5 -7.268 -7.231 -23.208 1.00 0.00 H new ATOM 48 N SER A 6 -3.923 -4.291 -21.318 1.00 0.00 N ATOM 49 CA SER A 6 -3.896 -3.651 -20.014 1.00 0.00 C ATOM 50 C SER A 6 -4.220 -2.162 -20.155 1.00 0.00 C ATOM 51 O SER A 6 -4.277 -1.639 -21.266 1.00 0.00 O ATOM 52 CB SER A 6 -2.537 -3.838 -19.337 1.00 0.00 C ATOM 53 OG SER A 6 -2.641 -4.582 -18.126 1.00 0.00 O ATOM 0 H SER A 6 -3.726 -3.669 -22.102 1.00 0.00 H new ATOM 0 HA SER A 6 -4.652 -4.122 -19.386 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.859 -4.350 -20.020 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.100 -2.862 -19.126 1.00 0.00 H new ATOM 0 HG SER A 6 -1.752 -4.681 -17.726 1.00 0.00 H new ATOM 59 N GLY A 7 -4.422 -1.523 -19.012 1.00 0.00 N ATOM 60 CA GLY A 7 -4.738 -0.105 -18.994 1.00 0.00 C ATOM 61 C GLY A 7 -3.515 0.724 -18.596 1.00 0.00 C ATOM 62 O GLY A 7 -2.384 0.248 -18.678 1.00 0.00 O ATOM 0 H GLY A 7 -4.373 -1.961 -18.092 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.088 0.206 -19.978 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.552 0.081 -18.293 1.00 0.00 H new ATOM 66 N ASP A 8 -3.784 1.951 -18.174 1.00 0.00 N ATOM 67 CA ASP A 8 -2.720 2.851 -17.763 1.00 0.00 C ATOM 68 C ASP A 8 -3.332 4.131 -17.191 1.00 0.00 C ATOM 69 O ASP A 8 -4.473 4.471 -17.503 1.00 0.00 O ATOM 70 CB ASP A 8 -1.837 3.239 -18.951 1.00 0.00 C ATOM 71 CG ASP A 8 -0.343 3.344 -18.640 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.002 3.180 -17.450 1.00 0.00 O ATOM 73 OD2 ASP A 8 0.421 3.585 -19.599 1.00 0.00 O ATOM 0 H ASP A 8 -4.723 2.343 -18.108 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.115 2.338 -17.016 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.977 2.504 -19.744 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.180 4.197 -19.341 1.00 0.00 H new ATOM 78 N ALA A 9 -2.548 4.806 -16.365 1.00 0.00 N ATOM 79 CA ALA A 9 -2.999 6.042 -15.746 1.00 0.00 C ATOM 80 C ALA A 9 -1.825 7.018 -15.652 1.00 0.00 C ATOM 81 O ALA A 9 -0.691 6.664 -15.972 1.00 0.00 O ATOM 82 CB ALA A 9 -3.613 5.734 -14.379 1.00 0.00 C ATOM 0 H ALA A 9 -1.603 4.521 -16.109 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.773 6.515 -16.351 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.951 6.661 -13.915 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.461 5.061 -14.504 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.865 5.261 -13.742 1.00 0.00 H new ATOM 88 N GLY A 10 -2.137 8.228 -15.211 1.00 0.00 N ATOM 89 CA GLY A 10 -1.122 9.258 -15.071 1.00 0.00 C ATOM 90 C GLY A 10 -1.104 9.820 -13.648 1.00 0.00 C ATOM 91 O GLY A 10 -1.910 9.420 -12.809 1.00 0.00 O ATOM 0 H GLY A 10 -3.078 8.518 -14.946 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.143 8.845 -15.315 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.315 10.062 -15.781 1.00 0.00 H new ATOM 95 N GLY A 11 -0.178 10.740 -13.420 1.00 0.00 N ATOM 96 CA GLY A 11 -0.045 11.361 -12.114 1.00 0.00 C ATOM 97 C GLY A 11 0.407 12.817 -12.242 1.00 0.00 C ATOM 98 O GLY A 11 0.108 13.478 -13.235 1.00 0.00 O ATOM 0 H GLY A 11 0.488 11.070 -14.119 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.999 11.318 -11.588 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.675 10.804 -11.514 1.00 0.00 H new ATOM 102 N GLY A 12 1.120 13.274 -11.223 1.00 0.00 N ATOM 103 CA GLY A 12 1.617 14.639 -11.210 1.00 0.00 C ATOM 104 C GLY A 12 2.804 14.782 -10.255 1.00 0.00 C ATOM 105 O GLY A 12 2.659 15.312 -9.154 1.00 0.00 O ATOM 0 H GLY A 12 1.365 12.723 -10.400 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.918 14.929 -12.216 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.819 15.317 -10.908 1.00 0.00 H new ATOM 109 N VAL A 13 3.951 14.299 -10.711 1.00 0.00 N ATOM 110 CA VAL A 13 5.162 14.367 -9.911 1.00 0.00 C ATOM 111 C VAL A 13 6.353 13.919 -10.759 1.00 0.00 C ATOM 112 O VAL A 13 6.263 12.936 -11.493 1.00 0.00 O ATOM 113 CB VAL A 13 4.992 13.540 -8.635 1.00 0.00 C ATOM 114 CG1 VAL A 13 4.984 12.042 -8.948 1.00 0.00 C ATOM 115 CG2 VAL A 13 6.078 13.880 -7.613 1.00 0.00 C ATOM 0 H VAL A 13 4.067 13.859 -11.624 1.00 0.00 H new ATOM 0 HA VAL A 13 5.355 15.392 -9.595 1.00 0.00 H new ATOM 0 HB VAL A 13 4.027 13.796 -8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.862 11.478 -8.023 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.159 11.816 -9.623 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.926 11.764 -9.421 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.934 13.278 -6.715 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.058 13.667 -8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.017 14.937 -7.355 1.00 0.00 H new ATOM 125 N GLY A 14 7.443 14.661 -10.630 1.00 0.00 N ATOM 126 CA GLY A 14 8.652 14.353 -11.375 1.00 0.00 C ATOM 127 C GLY A 14 9.653 13.592 -10.505 1.00 0.00 C ATOM 128 O GLY A 14 10.777 14.049 -10.300 1.00 0.00 O ATOM 0 H GLY A 14 7.514 15.475 -10.020 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.401 13.757 -12.252 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.106 15.276 -11.736 1.00 0.00 H new ATOM 132 N LYS A 15 9.211 12.442 -10.017 1.00 0.00 N ATOM 133 CA LYS A 15 10.054 11.613 -9.174 1.00 0.00 C ATOM 134 C LYS A 15 9.655 10.146 -9.346 1.00 0.00 C ATOM 135 O LYS A 15 8.479 9.802 -9.234 1.00 0.00 O ATOM 136 CB LYS A 15 10.005 12.098 -7.723 1.00 0.00 C ATOM 137 CG LYS A 15 10.990 13.246 -7.495 1.00 0.00 C ATOM 138 CD LYS A 15 11.816 13.015 -6.228 1.00 0.00 C ATOM 139 CE LYS A 15 13.062 13.903 -6.217 1.00 0.00 C ATOM 140 NZ LYS A 15 12.873 15.051 -5.303 1.00 0.00 N ATOM 0 H LYS A 15 8.279 12.065 -10.190 1.00 0.00 H new ATOM 0 HA LYS A 15 11.097 11.698 -9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.995 12.427 -7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.241 11.272 -7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.654 13.337 -8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.445 14.186 -7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.207 13.226 -5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.111 11.967 -6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.928 13.320 -5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.268 14.263 -7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.602 15.769 -5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.931 15.465 -5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.953 14.727 -4.318 1.00 0.00 H new ATOM 154 N GLU A 16 10.656 9.321 -9.614 1.00 0.00 N ATOM 155 CA GLU A 16 10.424 7.899 -9.802 1.00 0.00 C ATOM 156 C GLU A 16 9.764 7.299 -8.558 1.00 0.00 C ATOM 157 O GLU A 16 10.369 7.262 -7.488 1.00 0.00 O ATOM 158 CB GLU A 16 11.727 7.170 -10.137 1.00 0.00 C ATOM 159 CG GLU A 16 11.458 5.713 -10.518 1.00 0.00 C ATOM 160 CD GLU A 16 12.598 5.149 -11.369 1.00 0.00 C ATOM 161 OE1 GLU A 16 12.595 5.439 -12.585 1.00 0.00 O ATOM 162 OE2 GLU A 16 13.446 4.441 -10.784 1.00 0.00 O ATOM 0 H GLU A 16 11.630 9.610 -9.705 1.00 0.00 H new ATOM 0 HA GLU A 16 9.747 7.770 -10.646 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.231 7.678 -10.960 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.399 7.207 -9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.342 5.113 -9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.520 5.645 -11.069 1.00 0.00 H new ATOM 169 N LEU A 17 8.533 6.846 -8.741 1.00 0.00 N ATOM 170 CA LEU A 17 7.785 6.250 -7.647 1.00 0.00 C ATOM 171 C LEU A 17 8.720 5.370 -6.815 1.00 0.00 C ATOM 172 O LEU A 17 9.654 4.773 -7.348 1.00 0.00 O ATOM 173 CB LEU A 17 6.556 5.510 -8.179 1.00 0.00 C ATOM 174 CG LEU A 17 5.663 6.297 -9.141 1.00 0.00 C ATOM 175 CD1 LEU A 17 5.645 7.784 -8.780 1.00 0.00 C ATOM 176 CD2 LEU A 17 6.084 6.065 -10.594 1.00 0.00 C ATOM 0 H LEU A 17 8.035 6.880 -9.630 1.00 0.00 H new ATOM 0 HA LEU A 17 7.400 7.024 -6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.892 4.605 -8.685 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.951 5.194 -7.329 1.00 0.00 H new ATOM 0 HG LEU A 17 4.642 5.928 -9.039 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.003 8.320 -9.479 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.262 7.908 -7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.657 8.184 -8.836 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.433 6.636 -11.257 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.116 6.390 -10.730 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.003 5.004 -10.831 1.00 0.00 H new ATOM 188 N VAL A 18 8.436 5.319 -5.522 1.00 0.00 N ATOM 189 CA VAL A 18 9.240 4.522 -4.611 1.00 0.00 C ATOM 190 C VAL A 18 8.669 3.104 -4.540 1.00 0.00 C ATOM 191 O VAL A 18 7.453 2.921 -4.537 1.00 0.00 O ATOM 192 CB VAL A 18 9.314 5.205 -3.244 1.00 0.00 C ATOM 193 CG1 VAL A 18 7.920 5.602 -2.753 1.00 0.00 C ATOM 194 CG2 VAL A 18 10.022 4.313 -2.223 1.00 0.00 C ATOM 0 H VAL A 18 7.661 5.816 -5.084 1.00 0.00 H new ATOM 0 HA VAL A 18 10.264 4.442 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 18 9.901 6.116 -3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.001 6.085 -1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.467 6.292 -3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.298 4.711 -2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.061 4.822 -1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.474 3.377 -2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.036 4.104 -2.564 1.00 0.00 H new ATOM 204 N ASP A 19 9.574 2.138 -4.485 1.00 0.00 N ATOM 205 CA ASP A 19 9.175 0.743 -4.414 1.00 0.00 C ATOM 206 C ASP A 19 8.694 0.425 -2.997 1.00 0.00 C ATOM 207 O ASP A 19 9.400 0.686 -2.025 1.00 0.00 O ATOM 208 CB ASP A 19 10.351 -0.183 -4.732 1.00 0.00 C ATOM 209 CG ASP A 19 10.098 -1.185 -5.860 1.00 0.00 C ATOM 210 OD1 ASP A 19 9.749 -0.720 -6.966 1.00 0.00 O ATOM 211 OD2 ASP A 19 10.261 -2.395 -5.591 1.00 0.00 O ATOM 0 H ASP A 19 10.582 2.294 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 19 8.381 0.583 -5.143 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.214 0.428 -4.996 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.615 -0.734 -3.829 1.00 0.00 H new ATOM 216 N LEU A 20 7.495 -0.133 -2.925 1.00 0.00 N ATOM 217 CA LEU A 20 6.911 -0.489 -1.643 1.00 0.00 C ATOM 218 C LEU A 20 6.195 -1.835 -1.769 1.00 0.00 C ATOM 219 O LEU A 20 5.759 -2.211 -2.857 1.00 0.00 O ATOM 220 CB LEU A 20 6.013 0.639 -1.132 1.00 0.00 C ATOM 221 CG LEU A 20 6.682 2.005 -0.962 1.00 0.00 C ATOM 222 CD1 LEU A 20 5.668 3.061 -0.519 1.00 0.00 C ATOM 223 CD2 LEU A 20 7.873 1.916 -0.006 1.00 0.00 C ATOM 0 H LEU A 20 6.912 -0.348 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 20 7.690 -0.611 -0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.176 0.750 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.597 0.338 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 20 7.070 2.319 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.170 4.022 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.882 3.148 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.229 2.766 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.331 2.900 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.531 1.570 0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.607 1.214 -0.403 1.00 0.00 H new ATOM 235 N LYS A 21 6.095 -2.525 -0.642 1.00 0.00 N ATOM 236 CA LYS A 21 5.440 -3.821 -0.613 1.00 0.00 C ATOM 237 C LYS A 21 4.176 -3.730 0.244 1.00 0.00 C ATOM 238 O LYS A 21 4.244 -3.381 1.421 1.00 0.00 O ATOM 239 CB LYS A 21 6.417 -4.906 -0.155 1.00 0.00 C ATOM 240 CG LYS A 21 7.210 -5.465 -1.337 1.00 0.00 C ATOM 241 CD LYS A 21 8.698 -5.571 -0.998 1.00 0.00 C ATOM 242 CE LYS A 21 9.408 -6.544 -1.942 1.00 0.00 C ATOM 243 NZ LYS A 21 10.464 -5.845 -2.709 1.00 0.00 N ATOM 0 H LYS A 21 6.457 -2.210 0.258 1.00 0.00 H new ATOM 0 HA LYS A 21 5.126 -4.111 -1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.103 -4.494 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.868 -5.712 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.824 -6.448 -1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.076 -4.821 -2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.162 -4.587 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.817 -5.906 0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.847 -7.361 -1.369 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.686 -6.987 -2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.936 -6.520 -3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.037 -5.081 -3.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.162 -5.443 -2.051 1.00 0.00 H new ATOM 257 N ILE A 22 3.052 -4.049 -0.381 1.00 0.00 N ATOM 258 CA ILE A 22 1.774 -4.007 0.310 1.00 0.00 C ATOM 259 C ILE A 22 1.550 -5.333 1.040 1.00 0.00 C ATOM 260 O ILE A 22 0.958 -6.258 0.486 1.00 0.00 O ATOM 261 CB ILE A 22 0.651 -3.643 -0.662 1.00 0.00 C ATOM 262 CG1 ILE A 22 1.110 -2.574 -1.656 1.00 0.00 C ATOM 263 CG2 ILE A 22 -0.612 -3.220 0.092 1.00 0.00 C ATOM 264 CD1 ILE A 22 1.501 -1.284 -0.932 1.00 0.00 C ATOM 0 H ILE A 22 3.000 -4.338 -1.358 1.00 0.00 H new ATOM 0 HA ILE A 22 1.776 -3.222 1.067 1.00 0.00 H new ATOM 0 HB ILE A 22 0.399 -4.532 -1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.960 -2.946 -2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.311 -2.368 -2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.395 -2.967 -0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.950 -4.041 0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.392 -2.351 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.823 -0.541 -1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.642 -0.902 -0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.316 -1.489 -0.238 1.00 0.00 H new ATOM 276 N ILE A 23 2.036 -5.383 2.272 1.00 0.00 N ATOM 277 CA ILE A 23 1.896 -6.580 3.083 1.00 0.00 C ATOM 278 C ILE A 23 0.437 -6.728 3.521 1.00 0.00 C ATOM 279 O ILE A 23 -0.134 -5.811 4.109 1.00 0.00 O ATOM 280 CB ILE A 23 2.888 -6.557 4.248 1.00 0.00 C ATOM 281 CG1 ILE A 23 4.307 -6.271 3.754 1.00 0.00 C ATOM 282 CG2 ILE A 23 2.813 -7.853 5.057 1.00 0.00 C ATOM 283 CD1 ILE A 23 4.844 -7.437 2.921 1.00 0.00 C ATOM 0 H ILE A 23 2.527 -4.614 2.728 1.00 0.00 H new ATOM 0 HA ILE A 23 2.145 -7.466 2.499 1.00 0.00 H new ATOM 0 HB ILE A 23 2.610 -5.743 4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.311 -5.360 3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.964 -6.095 4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.528 -7.811 5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.807 -7.974 5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.051 -8.699 4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.854 -7.207 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.862 -8.341 3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.199 -7.594 2.057 1.00 0.00 H new ATOM 295 N TRP A 24 -0.124 -7.888 3.216 1.00 0.00 N ATOM 296 CA TRP A 24 -1.506 -8.167 3.571 1.00 0.00 C ATOM 297 C TRP A 24 -1.706 -9.684 3.536 1.00 0.00 C ATOM 298 O TRP A 24 -1.355 -10.337 2.555 1.00 0.00 O ATOM 299 CB TRP A 24 -2.470 -7.416 2.651 1.00 0.00 C ATOM 300 CG TRP A 24 -3.935 -7.496 3.086 1.00 0.00 C ATOM 301 CD1 TRP A 24 -4.419 -7.725 4.314 1.00 0.00 C ATOM 302 CD2 TRP A 24 -5.093 -7.338 2.240 1.00 0.00 C ATOM 303 NE1 TRP A 24 -5.799 -7.726 4.321 1.00 0.00 N ATOM 304 CE2 TRP A 24 -6.222 -7.483 3.020 1.00 0.00 C ATOM 305 CE3 TRP A 24 -5.184 -7.080 0.860 1.00 0.00 C ATOM 306 CZ2 TRP A 24 -7.523 -7.387 2.511 1.00 0.00 C ATOM 307 CZ3 TRP A 24 -6.491 -6.988 0.367 1.00 0.00 C ATOM 308 CH2 TRP A 24 -7.637 -7.131 1.139 1.00 0.00 C ATOM 0 H TRP A 24 0.352 -8.646 2.727 1.00 0.00 H new ATOM 0 HA TRP A 24 -1.726 -7.810 4.577 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.172 -6.369 2.606 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.379 -7.817 1.641 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.806 -7.888 5.188 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.398 -7.877 5.132 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.314 -6.962 0.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -8.391 -7.504 3.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.617 -6.792 -0.688 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -8.612 -7.045 0.683 1.00 0.00 H new ATOM 319 N ASN A 25 -2.269 -10.199 4.619 1.00 0.00 N ATOM 320 CA ASN A 25 -2.520 -11.626 4.724 1.00 0.00 C ATOM 321 C ASN A 25 -1.186 -12.375 4.742 1.00 0.00 C ATOM 322 O ASN A 25 -0.728 -12.811 5.797 1.00 0.00 O ATOM 323 CB ASN A 25 -3.330 -12.133 3.530 1.00 0.00 C ATOM 324 CG ASN A 25 -4.797 -12.343 3.911 1.00 0.00 C ATOM 325 OD1 ASN A 25 -5.124 -12.803 4.993 1.00 0.00 O ATOM 326 ND2 ASN A 25 -5.659 -11.982 2.965 1.00 0.00 N ATOM 0 H ASN A 25 -2.558 -9.654 5.431 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.082 -11.802 5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.262 -11.418 2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.906 -13.071 3.171 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.662 -12.083 3.123 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.318 -11.604 2.081 1.00 0.00 H new ATOM 333 N LYS A 26 -0.598 -12.500 3.561 1.00 0.00 N ATOM 334 CA LYS A 26 0.675 -13.188 3.427 1.00 0.00 C ATOM 335 C LYS A 26 1.170 -13.059 1.985 1.00 0.00 C ATOM 336 O LYS A 26 1.572 -14.047 1.372 1.00 0.00 O ATOM 337 CB LYS A 26 0.555 -14.635 3.909 1.00 0.00 C ATOM 338 CG LYS A 26 -0.609 -15.348 3.218 1.00 0.00 C ATOM 339 CD LYS A 26 -1.220 -16.412 4.133 1.00 0.00 C ATOM 340 CE LYS A 26 -2.406 -15.845 4.916 1.00 0.00 C ATOM 341 NZ LYS A 26 -2.389 -16.339 6.311 1.00 0.00 N ATOM 0 H LYS A 26 -0.980 -12.136 2.688 1.00 0.00 H new ATOM 0 HA LYS A 26 1.428 -12.725 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.484 -15.168 3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.407 -14.651 4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.372 -14.621 2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.260 -15.813 2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.547 -17.265 3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.463 -16.779 4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.367 -14.756 4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.340 -16.133 4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.200 -15.945 6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.449 -17.377 6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.506 -16.042 6.774 1.00 0.00 H new ATOM 355 N THR A 27 1.125 -11.833 1.485 1.00 0.00 N ATOM 356 CA THR A 27 1.564 -11.562 0.127 1.00 0.00 C ATOM 357 C THR A 27 2.302 -10.223 0.061 1.00 0.00 C ATOM 358 O THR A 27 2.308 -9.466 1.031 1.00 0.00 O ATOM 359 CB THR A 27 0.339 -11.626 -0.788 1.00 0.00 C ATOM 360 OG1 THR A 27 0.657 -10.739 -1.857 1.00 0.00 O ATOM 361 CG2 THR A 27 -0.904 -11.006 -0.147 1.00 0.00 C ATOM 0 H THR A 27 0.791 -11.016 1.996 1.00 0.00 H new ATOM 0 HA THR A 27 2.281 -12.309 -0.213 1.00 0.00 H new ATOM 0 HB THR A 27 0.134 -12.665 -1.047 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.355 -11.127 -2.705 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.744 -11.078 -0.838 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.144 -11.540 0.772 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.711 -9.958 0.082 1.00 0.00 H new ATOM 369 N LYS A 28 2.906 -9.972 -1.091 1.00 0.00 N ATOM 370 CA LYS A 28 3.645 -8.738 -1.295 1.00 0.00 C ATOM 371 C LYS A 28 3.312 -8.172 -2.677 1.00 0.00 C ATOM 372 O LYS A 28 3.881 -8.600 -3.680 1.00 0.00 O ATOM 373 CB LYS A 28 5.141 -8.965 -1.068 1.00 0.00 C ATOM 374 CG LYS A 28 5.435 -9.241 0.408 1.00 0.00 C ATOM 375 CD LYS A 28 6.254 -10.522 0.574 1.00 0.00 C ATOM 376 CE LYS A 28 7.743 -10.206 0.728 1.00 0.00 C ATOM 377 NZ LYS A 28 8.196 -10.504 2.105 1.00 0.00 N ATOM 0 H LYS A 28 2.899 -10.602 -1.893 1.00 0.00 H new ATOM 0 HA LYS A 28 3.345 -7.989 -0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.481 -9.805 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.700 -8.088 -1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.978 -8.400 0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.498 -9.330 0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.903 -11.071 1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.104 -11.168 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.321 -10.792 0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.924 -9.156 0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.209 -10.284 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.656 -9.926 2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.042 -11.512 2.311 1.00 0.00 H new ATOM 391 N HIS A 29 2.391 -7.219 -2.685 1.00 0.00 N ATOM 392 CA HIS A 29 1.976 -6.590 -3.927 1.00 0.00 C ATOM 393 C HIS A 29 2.940 -5.454 -4.275 1.00 0.00 C ATOM 394 O HIS A 29 2.907 -4.394 -3.652 1.00 0.00 O ATOM 395 CB HIS A 29 0.520 -6.127 -3.841 1.00 0.00 C ATOM 396 CG HIS A 29 -0.465 -7.242 -3.585 1.00 0.00 C ATOM 397 ND1 HIS A 29 -0.324 -8.507 -4.129 1.00 0.00 N ATOM 398 CD2 HIS A 29 -1.606 -7.269 -2.838 1.00 0.00 C ATOM 399 CE1 HIS A 29 -1.340 -9.253 -3.721 1.00 0.00 C ATOM 400 NE2 HIS A 29 -2.134 -8.484 -2.922 1.00 0.00 N ATOM 0 H HIS A 29 1.921 -6.867 -1.851 1.00 0.00 H new ATOM 0 HA HIS A 29 2.018 -7.316 -4.738 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.431 -5.388 -3.045 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.253 -5.627 -4.772 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -2.011 -6.442 -2.274 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.510 -10.289 -3.976 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.992 -8.792 -2.464 1.00 0.00 H new ATOM 408 N ASP A 30 3.777 -5.715 -5.269 1.00 0.00 N ATOM 409 CA ASP A 30 4.748 -4.728 -5.707 1.00 0.00 C ATOM 410 C ASP A 30 4.019 -3.567 -6.387 1.00 0.00 C ATOM 411 O ASP A 30 3.489 -3.721 -7.486 1.00 0.00 O ATOM 412 CB ASP A 30 5.726 -5.329 -6.719 1.00 0.00 C ATOM 413 CG ASP A 30 5.093 -6.255 -7.758 1.00 0.00 C ATOM 414 OD1 ASP A 30 4.528 -5.713 -8.733 1.00 0.00 O ATOM 415 OD2 ASP A 30 5.188 -7.485 -7.555 1.00 0.00 O ATOM 0 H ASP A 30 3.802 -6.596 -5.783 1.00 0.00 H new ATOM 0 HA ASP A 30 5.299 -4.386 -4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.232 -4.516 -7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.491 -5.885 -6.177 1.00 0.00 H new ATOM 420 N VAL A 31 4.016 -2.431 -5.704 1.00 0.00 N ATOM 421 CA VAL A 31 3.360 -1.245 -6.228 1.00 0.00 C ATOM 422 C VAL A 31 4.321 -0.057 -6.143 1.00 0.00 C ATOM 423 O VAL A 31 5.073 0.069 -5.178 1.00 0.00 O ATOM 424 CB VAL A 31 2.044 -1.004 -5.487 1.00 0.00 C ATOM 425 CG1 VAL A 31 0.985 -2.028 -5.902 1.00 0.00 C ATOM 426 CG2 VAL A 31 2.258 -1.019 -3.972 1.00 0.00 C ATOM 0 H VAL A 31 4.457 -2.307 -4.793 1.00 0.00 H new ATOM 0 HA VAL A 31 3.105 -1.382 -7.279 1.00 0.00 H new ATOM 0 HB VAL A 31 1.679 -0.015 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.059 -1.834 -5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.802 -1.948 -6.974 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.339 -3.032 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.307 -0.845 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.657 -1.988 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.963 -0.235 -3.696 1.00 0.00 H new ATOM 436 N LYS A 32 4.264 0.783 -7.166 1.00 0.00 N ATOM 437 CA LYS A 32 5.120 1.956 -7.219 1.00 0.00 C ATOM 438 C LYS A 32 4.285 3.204 -6.924 1.00 0.00 C ATOM 439 O LYS A 32 3.316 3.488 -7.627 1.00 0.00 O ATOM 440 CB LYS A 32 5.865 2.016 -8.554 1.00 0.00 C ATOM 441 CG LYS A 32 5.081 2.831 -9.584 1.00 0.00 C ATOM 442 CD LYS A 32 5.610 2.583 -10.998 1.00 0.00 C ATOM 443 CE LYS A 32 4.488 2.694 -12.031 1.00 0.00 C ATOM 444 NZ LYS A 32 4.919 2.127 -13.328 1.00 0.00 N ATOM 0 H LYS A 32 3.639 0.675 -7.964 1.00 0.00 H new ATOM 0 HA LYS A 32 5.892 1.899 -6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.849 2.461 -8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.026 1.006 -8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.025 2.566 -9.535 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.154 3.892 -9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.394 3.305 -11.228 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.062 1.593 -11.052 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.603 2.167 -11.673 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.207 3.739 -12.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.145 2.211 -14.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.750 2.647 -13.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.165 1.124 -13.204 1.00 0.00 H new ATOM 458 N VAL A 33 4.692 3.917 -5.884 1.00 0.00 N ATOM 459 CA VAL A 33 3.995 5.129 -5.488 1.00 0.00 C ATOM 460 C VAL A 33 5.017 6.227 -5.189 1.00 0.00 C ATOM 461 O VAL A 33 6.138 5.939 -4.771 1.00 0.00 O ATOM 462 CB VAL A 33 3.069 4.836 -4.306 1.00 0.00 C ATOM 463 CG1 VAL A 33 2.209 3.600 -4.576 1.00 0.00 C ATOM 464 CG2 VAL A 33 3.867 4.677 -3.011 1.00 0.00 C ATOM 0 H VAL A 33 5.496 3.678 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 33 3.362 5.488 -6.300 1.00 0.00 H new ATOM 0 HB VAL A 33 2.401 5.688 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.560 3.414 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.599 3.768 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.854 2.736 -4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.185 4.469 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.571 3.851 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.415 5.597 -2.806 1.00 0.00 H new ATOM 474 N PRO A 34 4.583 7.495 -5.421 1.00 0.00 N ATOM 475 CA PRO A 34 5.448 8.637 -5.181 1.00 0.00 C ATOM 476 C PRO A 34 5.581 8.920 -3.684 1.00 0.00 C ATOM 477 O PRO A 34 4.696 8.573 -2.902 1.00 0.00 O ATOM 478 CB PRO A 34 4.808 9.783 -5.948 1.00 0.00 C ATOM 479 CG PRO A 34 3.370 9.361 -6.204 1.00 0.00 C ATOM 480 CD PRO A 34 3.263 7.873 -5.916 1.00 0.00 C ATOM 0 HA PRO A 34 6.470 8.469 -5.521 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.847 10.708 -5.373 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.334 9.968 -6.885 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.688 9.923 -5.566 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.088 9.571 -7.236 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.489 7.668 -5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.002 7.314 -6.814 1.00 0.00 H new ATOM 488 N LEU A 35 6.693 9.546 -3.328 1.00 0.00 N ATOM 489 CA LEU A 35 6.953 9.879 -1.938 1.00 0.00 C ATOM 490 C LEU A 35 6.184 11.150 -1.570 1.00 0.00 C ATOM 491 O LEU A 35 5.992 11.445 -0.391 1.00 0.00 O ATOM 492 CB LEU A 35 8.458 9.975 -1.682 1.00 0.00 C ATOM 493 CG LEU A 35 8.982 9.208 -0.466 1.00 0.00 C ATOM 494 CD1 LEU A 35 8.525 7.748 -0.500 1.00 0.00 C ATOM 495 CD2 LEU A 35 10.503 9.330 -0.355 1.00 0.00 C ATOM 0 H LEU A 35 7.425 9.832 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 35 6.592 9.086 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.981 9.614 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.720 11.026 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 35 8.556 9.658 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.911 7.225 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.436 7.708 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.902 7.270 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.850 8.776 0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.967 8.921 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.777 10.380 -0.251 1.00 0.00 H new ATOM 507 N ASP A 36 5.765 11.869 -2.601 1.00 0.00 N ATOM 508 CA ASP A 36 5.022 13.102 -2.401 1.00 0.00 C ATOM 509 C ASP A 36 3.616 12.768 -1.900 1.00 0.00 C ATOM 510 O ASP A 36 2.916 13.636 -1.379 1.00 0.00 O ATOM 511 CB ASP A 36 4.885 13.881 -3.711 1.00 0.00 C ATOM 512 CG ASP A 36 3.883 13.297 -4.709 1.00 0.00 C ATOM 513 OD1 ASP A 36 2.705 13.158 -4.315 1.00 0.00 O ATOM 514 OD2 ASP A 36 4.318 13.002 -5.843 1.00 0.00 O ATOM 0 H ASP A 36 5.926 11.621 -3.577 1.00 0.00 H new ATOM 0 HA ASP A 36 5.564 13.709 -1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.589 14.904 -3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.863 13.933 -4.189 1.00 0.00 H new ATOM 519 N SER A 37 3.243 11.509 -2.074 1.00 0.00 N ATOM 520 CA SER A 37 1.932 11.051 -1.645 1.00 0.00 C ATOM 521 C SER A 37 1.770 11.263 -0.139 1.00 0.00 C ATOM 522 O SER A 37 2.669 10.942 0.637 1.00 0.00 O ATOM 523 CB SER A 37 1.721 9.577 -1.999 1.00 0.00 C ATOM 524 OG SER A 37 0.900 9.417 -3.153 1.00 0.00 O ATOM 0 H SER A 37 3.825 10.792 -2.506 1.00 0.00 H new ATOM 0 HA SER A 37 1.177 11.635 -2.171 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.687 9.104 -2.173 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.263 9.063 -1.154 1.00 0.00 H new ATOM 0 HG SER A 37 0.791 8.463 -3.347 1.00 0.00 H new ATOM 530 N THR A 38 0.618 11.803 0.230 1.00 0.00 N ATOM 531 CA THR A 38 0.327 12.062 1.629 1.00 0.00 C ATOM 532 C THR A 38 0.018 10.754 2.361 1.00 0.00 C ATOM 533 O THR A 38 -0.556 9.834 1.780 1.00 0.00 O ATOM 534 CB THR A 38 -0.815 13.078 1.695 1.00 0.00 C ATOM 535 OG1 THR A 38 -1.976 12.318 1.369 1.00 0.00 O ATOM 536 CG2 THR A 38 -0.731 14.125 0.582 1.00 0.00 C ATOM 0 H THR A 38 -0.125 12.068 -0.416 1.00 0.00 H new ATOM 0 HA THR A 38 1.191 12.488 2.139 1.00 0.00 H new ATOM 0 HB THR A 38 -0.802 13.576 2.665 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.764 12.900 1.390 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.564 14.822 0.674 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.209 14.670 0.666 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.778 13.630 -0.388 1.00 0.00 H new ATOM 544 N GLY A 39 0.413 10.713 3.625 1.00 0.00 N ATOM 545 CA GLY A 39 0.186 9.533 4.442 1.00 0.00 C ATOM 546 C GLY A 39 -1.272 9.078 4.355 1.00 0.00 C ATOM 547 O GLY A 39 -1.583 7.921 4.635 1.00 0.00 O ATOM 0 H GLY A 39 0.889 11.478 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.842 8.727 4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.442 9.750 5.479 1.00 0.00 H new ATOM 551 N SER A 40 -2.128 10.012 3.965 1.00 0.00 N ATOM 552 CA SER A 40 -3.546 9.721 3.838 1.00 0.00 C ATOM 553 C SER A 40 -3.813 8.986 2.523 1.00 0.00 C ATOM 554 O SER A 40 -4.587 8.030 2.488 1.00 0.00 O ATOM 555 CB SER A 40 -4.379 11.003 3.908 1.00 0.00 C ATOM 556 OG SER A 40 -5.761 10.730 4.123 1.00 0.00 O ATOM 0 H SER A 40 -1.867 10.970 3.733 1.00 0.00 H new ATOM 0 HA SER A 40 -3.841 9.082 4.670 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.005 11.635 4.713 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.260 11.564 2.981 1.00 0.00 H new ATOM 0 HG SER A 40 -6.259 11.573 4.163 1.00 0.00 H new ATOM 562 N GLU A 41 -3.158 9.460 1.473 1.00 0.00 N ATOM 563 CA GLU A 41 -3.316 8.859 0.159 1.00 0.00 C ATOM 564 C GLU A 41 -3.053 7.354 0.229 1.00 0.00 C ATOM 565 O GLU A 41 -3.658 6.579 -0.511 1.00 0.00 O ATOM 566 CB GLU A 41 -2.397 9.529 -0.864 1.00 0.00 C ATOM 567 CG GLU A 41 -3.167 10.544 -1.711 1.00 0.00 C ATOM 568 CD GLU A 41 -2.550 10.676 -3.105 1.00 0.00 C ATOM 569 OE1 GLU A 41 -2.678 9.701 -3.877 1.00 0.00 O ATOM 570 OE2 GLU A 41 -1.963 11.748 -3.367 1.00 0.00 O ATOM 0 H GLU A 41 -2.517 10.253 1.505 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.344 9.014 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.576 10.028 -0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.954 8.772 -1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.208 10.234 -1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.163 11.514 -1.215 1.00 0.00 H new ATOM 577 N LEU A 42 -2.150 6.984 1.125 1.00 0.00 N ATOM 578 CA LEU A 42 -1.800 5.585 1.301 1.00 0.00 C ATOM 579 C LEU A 42 -3.077 4.742 1.324 1.00 0.00 C ATOM 580 O LEU A 42 -3.173 3.736 0.623 1.00 0.00 O ATOM 581 CB LEU A 42 -0.922 5.404 2.541 1.00 0.00 C ATOM 582 CG LEU A 42 0.585 5.325 2.291 1.00 0.00 C ATOM 583 CD1 LEU A 42 1.345 5.071 3.594 1.00 0.00 C ATOM 584 CD2 LEU A 42 0.910 4.277 1.225 1.00 0.00 C ATOM 0 H LEU A 42 -1.650 7.629 1.737 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.201 5.234 0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.114 6.233 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.233 4.493 3.052 1.00 0.00 H new ATOM 0 HG LEU A 42 0.918 6.289 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.414 5.019 3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.149 5.884 4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.014 4.129 4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.988 4.241 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.559 3.300 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.415 4.542 0.291 1.00 0.00 H new ATOM 596 N LYS A 43 -4.025 5.185 2.136 1.00 0.00 N ATOM 597 CA LYS A 43 -5.293 4.485 2.258 1.00 0.00 C ATOM 598 C LYS A 43 -5.830 4.163 0.862 1.00 0.00 C ATOM 599 O LYS A 43 -6.029 2.997 0.524 1.00 0.00 O ATOM 600 CB LYS A 43 -6.267 5.288 3.122 1.00 0.00 C ATOM 601 CG LYS A 43 -5.931 5.143 4.608 1.00 0.00 C ATOM 602 CD LYS A 43 -4.604 5.830 4.939 1.00 0.00 C ATOM 603 CE LYS A 43 -4.438 6.002 6.450 1.00 0.00 C ATOM 604 NZ LYS A 43 -3.056 6.422 6.775 1.00 0.00 N ATOM 0 H LYS A 43 -3.941 6.020 2.716 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.155 3.534 2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.228 6.340 2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.286 4.946 2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.730 5.577 5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.873 4.087 4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.777 5.241 4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.563 6.804 4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.146 6.745 6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.668 5.064 6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.065 7.016 7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.469 5.581 6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.662 6.964 5.980 1.00 0.00 H new ATOM 618 N GLN A 44 -6.049 5.217 0.090 1.00 0.00 N ATOM 619 CA GLN A 44 -6.559 5.061 -1.261 1.00 0.00 C ATOM 620 C GLN A 44 -5.506 4.402 -2.154 1.00 0.00 C ATOM 621 O GLN A 44 -5.830 3.870 -3.215 1.00 0.00 O ATOM 622 CB GLN A 44 -7.003 6.407 -1.839 1.00 0.00 C ATOM 623 CG GLN A 44 -8.143 7.008 -1.015 1.00 0.00 C ATOM 624 CD GLN A 44 -8.739 8.231 -1.714 1.00 0.00 C ATOM 625 OE1 GLN A 44 -8.100 9.257 -1.879 1.00 0.00 O ATOM 626 NE2 GLN A 44 -9.997 8.065 -2.115 1.00 0.00 N ATOM 0 H GLN A 44 -5.883 6.182 0.374 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.434 4.412 -1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.159 7.096 -1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.326 6.275 -2.871 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.919 6.259 -0.861 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.774 7.292 -0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.474 7.179 -1.945 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.484 8.823 -2.592 1.00 0.00 H new ATOM 635 N LYS A 45 -4.266 4.458 -1.691 1.00 0.00 N ATOM 636 CA LYS A 45 -3.162 3.873 -2.434 1.00 0.00 C ATOM 637 C LYS A 45 -3.153 2.358 -2.217 1.00 0.00 C ATOM 638 O LYS A 45 -2.706 1.607 -3.082 1.00 0.00 O ATOM 639 CB LYS A 45 -1.844 4.555 -2.062 1.00 0.00 C ATOM 640 CG LYS A 45 -1.131 5.086 -3.307 1.00 0.00 C ATOM 641 CD LYS A 45 -2.053 5.995 -4.122 1.00 0.00 C ATOM 642 CE LYS A 45 -2.253 5.448 -5.536 1.00 0.00 C ATOM 643 NZ LYS A 45 -3.615 4.888 -5.688 1.00 0.00 N ATOM 0 H LYS A 45 -4.001 4.899 -0.811 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.291 4.042 -3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.037 5.376 -1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.198 3.847 -1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.239 5.638 -3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.799 4.251 -3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.018 6.082 -3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.629 6.998 -4.173 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.097 6.243 -6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.511 4.676 -5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.985 5.125 -6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.579 3.854 -5.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.239 5.291 -4.960 1.00 0.00 H new ATOM 657 N ILE A 46 -3.652 1.956 -1.058 1.00 0.00 N ATOM 658 CA ILE A 46 -3.708 0.544 -0.717 1.00 0.00 C ATOM 659 C ILE A 46 -5.035 -0.042 -1.203 1.00 0.00 C ATOM 660 O ILE A 46 -5.063 -1.126 -1.783 1.00 0.00 O ATOM 661 CB ILE A 46 -3.458 0.345 0.779 1.00 0.00 C ATOM 662 CG1 ILE A 46 -2.240 1.145 1.244 1.00 0.00 C ATOM 663 CG2 ILE A 46 -3.331 -1.141 1.121 1.00 0.00 C ATOM 664 CD1 ILE A 46 -2.514 1.835 2.582 1.00 0.00 C ATOM 0 H ILE A 46 -4.021 2.583 -0.343 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.914 -0.003 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.322 0.729 1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.381 0.481 1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.982 1.891 0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.154 -1.254 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.252 -1.657 0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.497 -1.572 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.632 2.397 2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.358 2.516 2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.748 1.085 3.337 1.00 0.00 H new ATOM 676 N HIS A 47 -6.102 0.701 -0.947 1.00 0.00 N ATOM 677 CA HIS A 47 -7.429 0.268 -1.351 1.00 0.00 C ATOM 678 C HIS A 47 -7.462 0.062 -2.867 1.00 0.00 C ATOM 679 O HIS A 47 -8.246 -0.740 -3.371 1.00 0.00 O ATOM 680 CB HIS A 47 -8.493 1.253 -0.863 1.00 0.00 C ATOM 681 CG HIS A 47 -9.674 1.392 -1.794 1.00 0.00 C ATOM 682 ND1 HIS A 47 -10.036 2.598 -2.370 1.00 0.00 N ATOM 683 CD2 HIS A 47 -10.569 0.467 -2.243 1.00 0.00 C ATOM 684 CE1 HIS A 47 -11.102 2.395 -3.129 1.00 0.00 C ATOM 685 NE2 HIS A 47 -11.432 1.073 -3.049 1.00 0.00 N ATOM 0 H HIS A 47 -6.075 1.600 -0.465 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.662 -0.689 -0.884 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.850 0.931 0.115 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -8.033 2.232 -0.728 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -10.575 -0.582 -1.986 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -11.620 3.144 -3.710 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -12.213 0.625 -3.529 1.00 0.00 H new ATOM 693 N SER A 48 -6.601 0.801 -3.551 1.00 0.00 N ATOM 694 CA SER A 48 -6.522 0.709 -4.999 1.00 0.00 C ATOM 695 C SER A 48 -5.883 -0.620 -5.405 1.00 0.00 C ATOM 696 O SER A 48 -5.950 -1.016 -6.568 1.00 0.00 O ATOM 697 CB SER A 48 -5.729 1.880 -5.583 1.00 0.00 C ATOM 698 OG SER A 48 -6.555 2.758 -6.344 1.00 0.00 O ATOM 0 H SER A 48 -5.952 1.466 -3.130 1.00 0.00 H new ATOM 0 HA SER A 48 -7.534 0.755 -5.400 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.257 2.437 -4.774 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.929 1.496 -6.216 1.00 0.00 H new ATOM 0 HG SER A 48 -6.012 3.493 -6.698 1.00 0.00 H new ATOM 704 N ILE A 49 -5.276 -1.272 -4.424 1.00 0.00 N ATOM 705 CA ILE A 49 -4.625 -2.549 -4.665 1.00 0.00 C ATOM 706 C ILE A 49 -5.367 -3.647 -3.902 1.00 0.00 C ATOM 707 O ILE A 49 -5.878 -4.590 -4.505 1.00 0.00 O ATOM 708 CB ILE A 49 -3.136 -2.463 -4.325 1.00 0.00 C ATOM 709 CG1 ILE A 49 -2.610 -1.039 -4.518 1.00 0.00 C ATOM 710 CG2 ILE A 49 -2.330 -3.485 -5.130 1.00 0.00 C ATOM 711 CD1 ILE A 49 -1.152 -0.927 -4.070 1.00 0.00 C ATOM 0 H ILE A 49 -5.221 -0.940 -3.461 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.673 -2.807 -5.723 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.012 -2.712 -3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.694 -0.756 -5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.224 -0.341 -3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.275 -3.403 -4.869 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.683 -4.490 -4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.457 -3.291 -6.195 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.803 0.095 -4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.075 -1.188 -3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.537 -1.609 -4.658 1.00 0.00 H new ATOM 723 N THR A 50 -5.404 -3.489 -2.587 1.00 0.00 N ATOM 724 CA THR A 50 -6.076 -4.456 -1.735 1.00 0.00 C ATOM 725 C THR A 50 -7.521 -4.659 -2.195 1.00 0.00 C ATOM 726 O THR A 50 -8.061 -5.759 -2.089 1.00 0.00 O ATOM 727 CB THR A 50 -5.961 -3.971 -0.289 1.00 0.00 C ATOM 728 OG1 THR A 50 -6.481 -2.645 -0.324 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.508 -3.790 0.155 1.00 0.00 C ATOM 0 H THR A 50 -4.979 -2.706 -2.090 1.00 0.00 H new ATOM 0 HA THR A 50 -5.606 -5.437 -1.803 1.00 0.00 H new ATOM 0 HB THR A 50 -6.456 -4.682 0.372 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.194 -2.203 -1.150 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.484 -3.445 1.189 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.983 -4.742 0.078 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.021 -3.054 -0.485 1.00 0.00 H new ATOM 737 N GLY A 51 -8.105 -3.581 -2.697 1.00 0.00 N ATOM 738 CA GLY A 51 -9.477 -3.627 -3.174 1.00 0.00 C ATOM 739 C GLY A 51 -10.461 -3.318 -2.043 1.00 0.00 C ATOM 740 O GLY A 51 -11.518 -2.736 -2.278 1.00 0.00 O ATOM 0 H GLY A 51 -7.653 -2.671 -2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.609 -2.908 -3.982 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.690 -4.613 -3.587 1.00 0.00 H new ATOM 744 N LEU A 52 -10.077 -3.722 -0.841 1.00 0.00 N ATOM 745 CA LEU A 52 -10.912 -3.496 0.326 1.00 0.00 C ATOM 746 C LEU A 52 -10.950 -1.999 0.638 1.00 0.00 C ATOM 747 O LEU A 52 -10.170 -1.226 0.085 1.00 0.00 O ATOM 748 CB LEU A 52 -10.438 -4.357 1.499 1.00 0.00 C ATOM 749 CG LEU A 52 -9.538 -3.661 2.521 1.00 0.00 C ATOM 750 CD1 LEU A 52 -9.828 -4.161 3.938 1.00 0.00 C ATOM 751 CD2 LEU A 52 -8.062 -3.818 2.149 1.00 0.00 C ATOM 0 H LEU A 52 -9.199 -4.204 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.938 -3.807 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.315 -4.742 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.902 -5.218 1.099 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.763 -2.595 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.174 -3.650 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.868 -3.955 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.648 -5.235 3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.444 -3.314 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.805 -4.877 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.885 -3.375 1.169 1.00 0.00 H new ATOM 763 N PRO A 53 -11.890 -1.625 1.548 1.00 0.00 N ATOM 764 CA PRO A 53 -12.040 -0.234 1.940 1.00 0.00 C ATOM 765 C PRO A 53 -10.911 0.195 2.879 1.00 0.00 C ATOM 766 O PRO A 53 -10.384 -0.620 3.635 1.00 0.00 O ATOM 767 CB PRO A 53 -13.413 -0.154 2.587 1.00 0.00 C ATOM 768 CG PRO A 53 -13.787 -1.582 2.951 1.00 0.00 C ATOM 769 CD PRO A 53 -12.831 -2.514 2.223 1.00 0.00 C ATOM 0 HA PRO A 53 -11.972 0.451 1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.391 0.482 3.472 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.143 0.278 1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.719 -1.731 4.029 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.817 -1.792 2.664 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.319 -3.178 2.919 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.360 -3.146 1.510 1.00 0.00 H new ATOM 777 N PRO A 54 -10.564 1.507 2.798 1.00 0.00 N ATOM 778 CA PRO A 54 -9.507 2.055 3.632 1.00 0.00 C ATOM 779 C PRO A 54 -9.984 2.234 5.074 1.00 0.00 C ATOM 780 O PRO A 54 -9.186 2.170 6.008 1.00 0.00 O ATOM 781 CB PRO A 54 -9.121 3.366 2.966 1.00 0.00 C ATOM 782 CG PRO A 54 -10.283 3.730 2.057 1.00 0.00 C ATOM 783 CD PRO A 54 -11.166 2.501 1.914 1.00 0.00 C ATOM 0 HA PRO A 54 -8.644 1.393 3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -8.947 4.145 3.709 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.198 3.258 2.396 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.850 4.561 2.477 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.918 4.053 1.082 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.195 2.717 2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.192 2.150 0.882 1.00 0.00 H new ATOM 791 N ALA A 55 -11.283 2.456 5.211 1.00 0.00 N ATOM 792 CA ALA A 55 -11.875 2.645 6.524 1.00 0.00 C ATOM 793 C ALA A 55 -11.630 1.397 7.375 1.00 0.00 C ATOM 794 O ALA A 55 -11.452 1.493 8.588 1.00 0.00 O ATOM 795 CB ALA A 55 -13.364 2.963 6.372 1.00 0.00 C ATOM 0 H ALA A 55 -11.942 2.509 4.434 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.411 3.489 7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.808 3.105 7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.483 3.874 5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.863 2.137 5.865 1.00 0.00 H new ATOM 801 N MET A 56 -11.629 0.254 6.704 1.00 0.00 N ATOM 802 CA MET A 56 -11.408 -1.012 7.383 1.00 0.00 C ATOM 803 C MET A 56 -9.997 -1.538 7.116 1.00 0.00 C ATOM 804 O MET A 56 -9.780 -2.748 7.068 1.00 0.00 O ATOM 805 CB MET A 56 -12.435 -2.037 6.898 1.00 0.00 C ATOM 806 CG MET A 56 -13.505 -2.288 7.963 1.00 0.00 C ATOM 807 SD MET A 56 -14.772 -3.364 7.314 1.00 0.00 S ATOM 808 CE MET A 56 -15.989 -2.152 6.829 1.00 0.00 C ATOM 0 H MET A 56 -11.778 0.178 5.698 1.00 0.00 H new ATOM 0 HA MET A 56 -11.519 -0.852 8.455 1.00 0.00 H new ATOM 0 HB2 MET A 56 -12.905 -1.680 5.982 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.933 -2.973 6.655 1.00 0.00 H new ATOM 0 HG2 MET A 56 -13.052 -2.738 8.846 1.00 0.00 H new ATOM 0 HG3 MET A 56 -13.946 -1.342 8.277 1.00 0.00 H new ATOM 0 HE1 MET A 56 -16.854 -2.657 6.400 1.00 0.00 H new ATOM 0 HE2 MET A 56 -16.300 -1.579 7.702 1.00 0.00 H new ATOM 0 HE3 MET A 56 -15.557 -1.479 6.088 1.00 0.00 H new ATOM 818 N GLN A 57 -9.072 -0.603 6.951 1.00 0.00 N ATOM 819 CA GLN A 57 -7.687 -0.958 6.691 1.00 0.00 C ATOM 820 C GLN A 57 -6.810 -0.585 7.888 1.00 0.00 C ATOM 821 O GLN A 57 -7.245 0.146 8.777 1.00 0.00 O ATOM 822 CB GLN A 57 -7.181 -0.289 5.411 1.00 0.00 C ATOM 823 CG GLN A 57 -7.274 -1.244 4.220 1.00 0.00 C ATOM 824 CD GLN A 57 -6.220 -0.907 3.163 1.00 0.00 C ATOM 825 OE1 GLN A 57 -5.031 -1.108 3.350 1.00 0.00 O ATOM 826 NE2 GLN A 57 -6.720 -0.386 2.047 1.00 0.00 N ATOM 0 H GLN A 57 -9.255 0.400 6.992 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.630 -2.037 6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.767 0.608 5.209 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.147 0.029 5.547 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.137 -2.270 4.561 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.269 -1.185 3.779 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.726 -0.244 1.956 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.098 -0.128 1.281 1.00 0.00 H new ATOM 835 N LYS A 58 -5.591 -1.104 7.872 1.00 0.00 N ATOM 836 CA LYS A 58 -4.649 -0.835 8.945 1.00 0.00 C ATOM 837 C LYS A 58 -3.322 -0.366 8.347 1.00 0.00 C ATOM 838 O LYS A 58 -2.494 -1.184 7.946 1.00 0.00 O ATOM 839 CB LYS A 58 -4.516 -2.054 9.859 1.00 0.00 C ATOM 840 CG LYS A 58 -5.217 -1.815 11.198 1.00 0.00 C ATOM 841 CD LYS A 58 -4.500 -2.553 12.331 1.00 0.00 C ATOM 842 CE LYS A 58 -4.511 -1.724 13.618 1.00 0.00 C ATOM 843 NZ LYS A 58 -5.824 -1.830 14.291 1.00 0.00 N ATOM 0 H LYS A 58 -5.234 -1.709 7.133 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.015 -0.028 9.580 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.946 -2.928 9.370 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.462 -2.271 10.030 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.243 -0.747 11.414 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.252 -2.153 11.136 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.984 -3.513 12.508 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.471 -2.764 12.039 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.724 -2.070 14.287 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.297 -0.680 13.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.814 -1.262 15.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.569 -1.478 13.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.013 -2.825 14.529 1.00 0.00 H new ATOM 857 N VAL A 59 -3.159 0.948 8.305 1.00 0.00 N ATOM 858 CA VAL A 59 -1.946 1.535 7.762 1.00 0.00 C ATOM 859 C VAL A 59 -0.924 1.715 8.887 1.00 0.00 C ATOM 860 O VAL A 59 -1.011 2.664 9.664 1.00 0.00 O ATOM 861 CB VAL A 59 -2.275 2.843 7.039 1.00 0.00 C ATOM 862 CG1 VAL A 59 -1.150 3.237 6.080 1.00 0.00 C ATOM 863 CG2 VAL A 59 -3.613 2.741 6.304 1.00 0.00 C ATOM 0 H VAL A 59 -3.847 1.623 8.638 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.500 0.872 7.020 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.365 3.628 7.790 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.409 4.170 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.225 3.371 6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.014 2.452 5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.823 3.684 5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.564 1.938 5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.406 2.529 7.021 1.00 0.00 H new ATOM 873 N MET A 60 0.022 0.788 8.938 1.00 0.00 N ATOM 874 CA MET A 60 1.059 0.832 9.954 1.00 0.00 C ATOM 875 C MET A 60 2.357 0.207 9.440 1.00 0.00 C ATOM 876 O MET A 60 2.381 -0.964 9.064 1.00 0.00 O ATOM 877 CB MET A 60 0.587 0.077 11.199 1.00 0.00 C ATOM 878 CG MET A 60 0.136 1.049 12.291 1.00 0.00 C ATOM 879 SD MET A 60 0.008 0.194 13.853 1.00 0.00 S ATOM 880 CE MET A 60 1.731 -0.160 14.155 1.00 0.00 C ATOM 0 H MET A 60 0.091 0.002 8.292 1.00 0.00 H new ATOM 0 HA MET A 60 1.253 1.875 10.203 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.236 -0.587 10.936 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.395 -0.550 11.576 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.847 1.871 12.374 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.827 1.486 12.026 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.921 -0.152 15.228 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.977 -1.142 13.750 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.348 0.597 13.671 1.00 0.00 H new ATOM 890 N TYR A 61 3.407 1.016 9.441 1.00 0.00 N ATOM 891 CA TYR A 61 4.706 0.558 8.979 1.00 0.00 C ATOM 892 C TYR A 61 5.787 0.827 10.027 1.00 0.00 C ATOM 893 O TYR A 61 6.271 1.952 10.150 1.00 0.00 O ATOM 894 CB TYR A 61 5.017 1.371 7.721 1.00 0.00 C ATOM 895 CG TYR A 61 6.488 1.327 7.300 1.00 0.00 C ATOM 896 CD1 TYR A 61 7.220 0.170 7.471 1.00 0.00 C ATOM 897 CD2 TYR A 61 7.081 2.444 6.749 1.00 0.00 C ATOM 898 CE1 TYR A 61 8.604 0.128 7.075 1.00 0.00 C ATOM 899 CE2 TYR A 61 8.465 2.403 6.353 1.00 0.00 C ATOM 900 CZ TYR A 61 9.158 1.247 6.535 1.00 0.00 C ATOM 901 OH TYR A 61 10.465 1.207 6.161 1.00 0.00 O ATOM 0 H TYR A 61 3.384 1.986 9.755 1.00 0.00 H new ATOM 0 HA TYR A 61 4.689 -0.515 8.789 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.403 1.000 6.900 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.729 2.408 7.891 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.755 -0.704 7.902 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.507 3.349 6.615 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.189 -0.771 7.204 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.942 3.271 5.921 1.00 0.00 H new ATOM 0 HH TYR A 61 10.726 2.076 5.791 1.00 0.00 H new ATOM 911 N LYS A 62 6.134 -0.223 10.757 1.00 0.00 N ATOM 912 CA LYS A 62 7.150 -0.113 11.790 1.00 0.00 C ATOM 913 C LYS A 62 6.891 1.145 12.622 1.00 0.00 C ATOM 914 O LYS A 62 7.817 1.713 13.199 1.00 0.00 O ATOM 915 CB LYS A 62 8.549 -0.167 11.175 1.00 0.00 C ATOM 916 CG LYS A 62 8.869 1.130 10.428 1.00 0.00 C ATOM 917 CD LYS A 62 10.378 1.385 10.394 1.00 0.00 C ATOM 918 CE LYS A 62 11.090 0.348 9.524 1.00 0.00 C ATOM 919 NZ LYS A 62 12.485 0.764 9.258 1.00 0.00 N ATOM 0 H LYS A 62 5.730 -1.154 10.654 1.00 0.00 H new ATOM 0 HA LYS A 62 7.095 -0.963 12.470 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.289 -0.332 11.958 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.617 -1.012 10.490 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.483 1.072 9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.366 1.967 10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.573 2.385 10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.779 1.352 11.407 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.082 -0.621 10.023 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.555 0.226 8.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.954 0.049 8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.486 1.678 8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.997 0.858 10.158 1.00 0.00 H new ATOM 933 N GLY A 63 5.628 1.544 12.656 1.00 0.00 N ATOM 934 CA GLY A 63 5.236 2.724 13.407 1.00 0.00 C ATOM 935 C GLY A 63 4.008 3.389 12.781 1.00 0.00 C ATOM 936 O GLY A 63 3.765 3.251 11.584 1.00 0.00 O ATOM 0 H GLY A 63 4.863 1.071 12.175 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.018 2.447 14.439 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.063 3.433 13.435 1.00 0.00 H new ATOM 940 N LEU A 64 3.266 4.097 13.621 1.00 0.00 N ATOM 941 CA LEU A 64 2.070 4.784 13.165 1.00 0.00 C ATOM 942 C LEU A 64 2.424 5.688 11.983 1.00 0.00 C ATOM 943 O LEU A 64 3.484 6.313 11.970 1.00 0.00 O ATOM 944 CB LEU A 64 1.402 5.524 14.326 1.00 0.00 C ATOM 945 CG LEU A 64 0.583 4.662 15.288 1.00 0.00 C ATOM 946 CD1 LEU A 64 -0.854 4.498 14.791 1.00 0.00 C ATOM 947 CD2 LEU A 64 1.263 3.312 15.530 1.00 0.00 C ATOM 0 H LEU A 64 3.470 4.209 14.614 1.00 0.00 H new ATOM 0 HA LEU A 64 1.332 4.066 12.807 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.176 6.036 14.898 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.749 6.293 13.913 1.00 0.00 H new ATOM 0 HG LEU A 64 0.535 5.175 16.248 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.414 3.881 15.494 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.326 5.477 14.712 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.848 4.019 13.812 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.660 2.719 16.217 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.363 2.780 14.584 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.251 3.474 15.961 1.00 0.00 H new ATOM 959 N VAL A 65 1.518 5.728 11.017 1.00 0.00 N ATOM 960 CA VAL A 65 1.722 6.544 9.832 1.00 0.00 C ATOM 961 C VAL A 65 0.762 7.734 9.867 1.00 0.00 C ATOM 962 O VAL A 65 -0.454 7.558 9.796 1.00 0.00 O ATOM 963 CB VAL A 65 1.568 5.688 8.574 1.00 0.00 C ATOM 964 CG1 VAL A 65 1.332 6.564 7.341 1.00 0.00 C ATOM 965 CG2 VAL A 65 2.784 4.780 8.376 1.00 0.00 C ATOM 0 H VAL A 65 0.640 5.208 11.031 1.00 0.00 H new ATOM 0 HA VAL A 65 2.736 6.944 9.814 1.00 0.00 H new ATOM 0 HB VAL A 65 0.693 5.052 8.707 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.226 5.931 6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.423 7.149 7.479 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.179 7.236 7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.649 4.182 7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.681 5.390 8.275 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.889 4.120 9.237 1.00 0.00 H new ATOM 975 N PRO A 66 1.358 8.952 9.979 1.00 0.00 N ATOM 976 CA PRO A 66 0.569 10.171 10.024 1.00 0.00 C ATOM 977 C PRO A 66 0.027 10.525 8.638 1.00 0.00 C ATOM 978 O PRO A 66 0.681 10.269 7.628 1.00 0.00 O ATOM 979 CB PRO A 66 1.508 11.227 10.583 1.00 0.00 C ATOM 980 CG PRO A 66 2.913 10.678 10.394 1.00 0.00 C ATOM 981 CD PRO A 66 2.794 9.199 10.066 1.00 0.00 C ATOM 0 HA PRO A 66 -0.318 10.075 10.650 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.385 12.175 10.059 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.301 11.416 11.636 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.425 11.207 9.590 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.504 10.822 11.298 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.294 8.960 9.127 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.255 8.584 10.839 1.00 0.00 H new ATOM 989 N GLU A 67 -1.162 11.109 8.633 1.00 0.00 N ATOM 990 CA GLU A 67 -1.799 11.501 7.387 1.00 0.00 C ATOM 991 C GLU A 67 -1.414 12.937 7.024 1.00 0.00 C ATOM 992 O GLU A 67 -1.320 13.278 5.846 1.00 0.00 O ATOM 993 CB GLU A 67 -3.318 11.346 7.476 1.00 0.00 C ATOM 994 CG GLU A 67 -3.727 9.876 7.361 1.00 0.00 C ATOM 995 CD GLU A 67 -5.193 9.746 6.942 1.00 0.00 C ATOM 996 OE1 GLU A 67 -6.001 10.554 7.448 1.00 0.00 O ATOM 997 OE2 GLU A 67 -5.472 8.841 6.126 1.00 0.00 O ATOM 0 H GLU A 67 -1.701 11.320 9.472 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.445 10.840 6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.674 11.753 8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.793 11.923 6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.091 9.374 6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.573 9.376 8.317 1.00 0.00 H new ATOM 1004 N ASP A 68 -1.202 13.738 8.057 1.00 0.00 N ATOM 1005 CA ASP A 68 -0.830 15.129 7.861 1.00 0.00 C ATOM 1006 C ASP A 68 0.550 15.196 7.204 1.00 0.00 C ATOM 1007 O ASP A 68 0.871 16.169 6.523 1.00 0.00 O ATOM 1008 CB ASP A 68 -0.754 15.872 9.196 1.00 0.00 C ATOM 1009 CG ASP A 68 -2.023 16.632 9.587 1.00 0.00 C ATOM 1010 OD1 ASP A 68 -2.709 17.106 8.656 1.00 0.00 O ATOM 1011 OD2 ASP A 68 -2.278 16.723 10.807 1.00 0.00 O ATOM 0 H ASP A 68 -1.281 13.451 9.033 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.588 15.595 7.231 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.523 15.153 9.982 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.076 16.578 9.155 1.00 0.00 H new ATOM 1016 N LYS A 69 1.329 14.148 7.430 1.00 0.00 N ATOM 1017 CA LYS A 69 2.667 14.075 6.868 1.00 0.00 C ATOM 1018 C LYS A 69 2.687 13.040 5.742 1.00 0.00 C ATOM 1019 O LYS A 69 1.978 12.037 5.803 1.00 0.00 O ATOM 1020 CB LYS A 69 3.696 13.807 7.968 1.00 0.00 C ATOM 1021 CG LYS A 69 3.741 14.962 8.971 1.00 0.00 C ATOM 1022 CD LYS A 69 5.012 15.794 8.792 1.00 0.00 C ATOM 1023 CE LYS A 69 4.880 17.152 9.484 1.00 0.00 C ATOM 1024 NZ LYS A 69 6.215 17.750 9.713 1.00 0.00 N ATOM 0 H LYS A 69 1.059 13.343 7.995 1.00 0.00 H new ATOM 0 HA LYS A 69 2.948 15.031 6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.447 12.881 8.486 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.681 13.669 7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.865 15.597 8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.700 14.568 9.987 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.865 15.254 9.202 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.208 15.941 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.275 17.821 8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.360 17.033 10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.107 18.671 10.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.780 17.118 10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.697 17.882 8.801 1.00 0.00 H new ATOM 1038 N THR A 70 3.507 13.319 4.739 1.00 0.00 N ATOM 1039 CA THR A 70 3.629 12.425 3.600 1.00 0.00 C ATOM 1040 C THR A 70 4.648 11.322 3.895 1.00 0.00 C ATOM 1041 O THR A 70 5.387 11.401 4.874 1.00 0.00 O ATOM 1042 CB THR A 70 3.982 13.267 2.373 1.00 0.00 C ATOM 1043 OG1 THR A 70 5.273 13.791 2.672 1.00 0.00 O ATOM 1044 CG2 THR A 70 3.098 14.509 2.240 1.00 0.00 C ATOM 0 H THR A 70 4.094 14.152 4.692 1.00 0.00 H new ATOM 0 HA THR A 70 2.689 11.911 3.398 1.00 0.00 H new ATOM 0 HB THR A 70 3.887 12.657 1.475 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.178 14.630 3.169 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.391 15.071 1.353 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.055 14.205 2.149 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.218 15.137 3.123 1.00 0.00 H new ATOM 1052 N LEU A 71 4.654 10.320 3.029 1.00 0.00 N ATOM 1053 CA LEU A 71 5.570 9.203 3.183 1.00 0.00 C ATOM 1054 C LEU A 71 6.980 9.737 3.439 1.00 0.00 C ATOM 1055 O LEU A 71 7.598 9.409 4.451 1.00 0.00 O ATOM 1056 CB LEU A 71 5.477 8.263 1.979 1.00 0.00 C ATOM 1057 CG LEU A 71 4.081 7.728 1.652 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.834 7.728 0.142 1.00 0.00 C ATOM 1059 CD2 LEU A 71 3.867 6.344 2.268 1.00 0.00 C ATOM 0 H LEU A 71 4.039 10.258 2.218 1.00 0.00 H new ATOM 0 HA LEU A 71 5.295 8.601 4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.858 8.788 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.138 7.414 2.154 1.00 0.00 H new ATOM 0 HG LEU A 71 3.345 8.397 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.835 7.343 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.917 8.745 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.574 7.095 -0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.867 5.986 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.609 5.651 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.972 6.408 3.351 1.00 0.00 H new ATOM 1071 N ARG A 72 7.449 10.551 2.505 1.00 0.00 N ATOM 1072 CA ARG A 72 8.775 11.134 2.616 1.00 0.00 C ATOM 1073 C ARG A 72 8.925 11.859 3.956 1.00 0.00 C ATOM 1074 O ARG A 72 10.041 12.109 4.408 1.00 0.00 O ATOM 1075 CB ARG A 72 9.040 12.122 1.478 1.00 0.00 C ATOM 1076 CG ARG A 72 10.474 12.652 1.535 1.00 0.00 C ATOM 1077 CD ARG A 72 10.492 14.182 1.553 1.00 0.00 C ATOM 1078 NE ARG A 72 10.371 14.706 0.174 1.00 0.00 N ATOM 1079 CZ ARG A 72 11.318 14.577 -0.764 1.00 0.00 C ATOM 1080 NH1 ARG A 72 12.463 13.942 -0.478 1.00 0.00 N ATOM 1081 NH2 ARG A 72 11.122 15.084 -1.989 1.00 0.00 N ATOM 0 H ARG A 72 6.934 10.821 1.667 1.00 0.00 H new ATOM 0 HA ARG A 72 9.500 10.323 2.554 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.867 11.633 0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.338 12.954 1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.972 12.268 2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.035 12.288 0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.672 14.556 2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.417 14.538 2.006 1.00 0.00 H new ATOM 0 HE ARG A 72 9.513 15.196 -0.078 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.613 13.557 0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.184 13.844 -1.193 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.251 15.568 -2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.844 14.986 -2.703 1.00 0.00 H new ATOM 1095 N GLU A 73 7.785 12.175 4.552 1.00 0.00 N ATOM 1096 CA GLU A 73 7.777 12.866 5.831 1.00 0.00 C ATOM 1097 C GLU A 73 7.640 11.860 6.976 1.00 0.00 C ATOM 1098 O GLU A 73 8.155 12.087 8.070 1.00 0.00 O ATOM 1099 CB GLU A 73 6.660 13.910 5.882 1.00 0.00 C ATOM 1100 CG GLU A 73 7.002 15.122 5.013 1.00 0.00 C ATOM 1101 CD GLU A 73 5.922 16.200 5.127 1.00 0.00 C ATOM 1102 OE1 GLU A 73 4.859 16.008 4.498 1.00 0.00 O ATOM 1103 OE2 GLU A 73 6.185 17.193 5.839 1.00 0.00 O ATOM 0 H GLU A 73 6.861 11.966 4.174 1.00 0.00 H new ATOM 0 HA GLU A 73 8.726 13.391 5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.726 13.465 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.503 14.229 6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.965 15.533 5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.103 14.812 3.973 1.00 0.00 H new ATOM 1110 N ILE A 74 6.944 10.771 6.685 1.00 0.00 N ATOM 1111 CA ILE A 74 6.734 9.730 7.677 1.00 0.00 C ATOM 1112 C ILE A 74 7.982 8.849 7.758 1.00 0.00 C ATOM 1113 O ILE A 74 8.016 7.883 8.518 1.00 0.00 O ATOM 1114 CB ILE A 74 5.451 8.953 7.374 1.00 0.00 C ATOM 1115 CG1 ILE A 74 5.738 7.754 6.468 1.00 0.00 C ATOM 1116 CG2 ILE A 74 4.379 9.872 6.786 1.00 0.00 C ATOM 1117 CD1 ILE A 74 5.866 6.467 7.286 1.00 0.00 C ATOM 0 H ILE A 74 6.518 10.587 5.777 1.00 0.00 H new ATOM 0 HA ILE A 74 6.589 10.168 8.664 1.00 0.00 H new ATOM 0 HB ILE A 74 5.059 8.561 8.313 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.937 7.646 5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.658 7.927 5.910 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.478 9.294 6.580 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.148 10.664 7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.747 10.314 5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.070 5.630 6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.684 6.569 8.000 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.936 6.284 7.824 1.00 0.00 H new ATOM 1129 N LYS A 75 8.978 9.215 6.965 1.00 0.00 N ATOM 1130 CA LYS A 75 10.225 8.470 6.938 1.00 0.00 C ATOM 1131 C LYS A 75 10.023 7.174 6.150 1.00 0.00 C ATOM 1132 O LYS A 75 9.938 6.095 6.734 1.00 0.00 O ATOM 1133 CB LYS A 75 10.750 8.251 8.358 1.00 0.00 C ATOM 1134 CG LYS A 75 10.638 9.532 9.188 1.00 0.00 C ATOM 1135 CD LYS A 75 11.592 9.496 10.383 1.00 0.00 C ATOM 1136 CE LYS A 75 10.842 9.752 11.691 1.00 0.00 C ATOM 1137 NZ LYS A 75 11.120 11.118 12.189 1.00 0.00 N ATOM 0 H LYS A 75 8.947 10.018 6.336 1.00 0.00 H new ATOM 0 HA LYS A 75 10.998 9.040 6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.186 7.452 8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.790 7.928 8.319 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.865 10.396 8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.613 9.653 9.540 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.088 8.526 10.428 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.371 10.247 10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.771 9.627 11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.142 9.018 12.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.603 11.275 13.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.141 11.225 12.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.812 11.815 11.481 1.00 0.00 H new ATOM 1151 N VAL A 76 9.952 7.323 4.835 1.00 0.00 N ATOM 1152 CA VAL A 76 9.762 6.178 3.961 1.00 0.00 C ATOM 1153 C VAL A 76 10.951 6.069 3.005 1.00 0.00 C ATOM 1154 O VAL A 76 11.588 7.070 2.684 1.00 0.00 O ATOM 1155 CB VAL A 76 8.420 6.291 3.236 1.00 0.00 C ATOM 1156 CG1 VAL A 76 8.405 5.429 1.972 1.00 0.00 C ATOM 1157 CG2 VAL A 76 7.261 5.922 4.165 1.00 0.00 C ATOM 0 H VAL A 76 10.023 8.220 4.354 1.00 0.00 H new ATOM 0 HA VAL A 76 9.726 5.256 4.541 1.00 0.00 H new ATOM 0 HB VAL A 76 8.289 7.330 2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.440 5.528 1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.195 5.759 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.570 4.386 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.319 6.011 3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.385 4.896 4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.253 6.596 5.022 1.00 0.00 H new ATOM 1167 N THR A 77 11.214 4.843 2.577 1.00 0.00 N ATOM 1168 CA THR A 77 12.315 4.589 1.664 1.00 0.00 C ATOM 1169 C THR A 77 11.881 3.624 0.558 1.00 0.00 C ATOM 1170 O THR A 77 10.714 3.241 0.488 1.00 0.00 O ATOM 1171 CB THR A 77 13.502 4.078 2.484 1.00 0.00 C ATOM 1172 OG1 THR A 77 13.066 2.814 2.974 1.00 0.00 O ATOM 1173 CG2 THR A 77 13.739 4.907 3.748 1.00 0.00 C ATOM 0 H THR A 77 10.683 4.015 2.846 1.00 0.00 H new ATOM 0 HA THR A 77 12.622 5.502 1.153 1.00 0.00 H new ATOM 0 HB THR A 77 14.401 4.090 1.868 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.776 2.411 3.516 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.592 4.503 4.294 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.942 5.942 3.472 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.852 4.868 4.380 1.00 0.00 H new ATOM 1181 N SER A 78 12.842 3.260 -0.277 1.00 0.00 N ATOM 1182 CA SER A 78 12.574 2.347 -1.375 1.00 0.00 C ATOM 1183 C SER A 78 12.713 0.900 -0.899 1.00 0.00 C ATOM 1184 O SER A 78 13.826 0.406 -0.721 1.00 0.00 O ATOM 1185 CB SER A 78 13.513 2.612 -2.554 1.00 0.00 C ATOM 1186 OG SER A 78 13.041 2.014 -3.758 1.00 0.00 O ATOM 0 H SER A 78 13.808 3.581 -0.216 1.00 0.00 H new ATOM 0 HA SER A 78 11.552 2.513 -1.716 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.617 3.687 -2.700 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.505 2.224 -2.322 1.00 0.00 H new ATOM 0 HG SER A 78 13.667 2.208 -4.487 1.00 0.00 H new ATOM 1192 N GLY A 79 11.569 0.261 -0.707 1.00 0.00 N ATOM 1193 CA GLY A 79 11.550 -1.120 -0.256 1.00 0.00 C ATOM 1194 C GLY A 79 10.911 -1.235 1.130 1.00 0.00 C ATOM 1195 O GLY A 79 11.178 -2.185 1.864 1.00 0.00 O ATOM 0 H GLY A 79 10.648 0.674 -0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.996 -1.731 -0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.567 -1.510 -0.225 1.00 0.00 H new ATOM 1199 N ALA A 80 10.080 -0.253 1.447 1.00 0.00 N ATOM 1200 CA ALA A 80 9.401 -0.232 2.731 1.00 0.00 C ATOM 1201 C ALA A 80 8.361 -1.353 2.772 1.00 0.00 C ATOM 1202 O ALA A 80 8.202 -2.092 1.802 1.00 0.00 O ATOM 1203 CB ALA A 80 8.780 1.148 2.958 1.00 0.00 C ATOM 0 H ALA A 80 9.862 0.534 0.836 1.00 0.00 H new ATOM 0 HA ALA A 80 10.108 -0.409 3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.270 1.164 3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.564 1.906 2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.063 1.359 2.165 1.00 0.00 H new ATOM 1209 N LYS A 81 7.680 -1.444 3.905 1.00 0.00 N ATOM 1210 CA LYS A 81 6.660 -2.462 4.085 1.00 0.00 C ATOM 1211 C LYS A 81 5.360 -1.800 4.547 1.00 0.00 C ATOM 1212 O LYS A 81 5.388 -0.750 5.186 1.00 0.00 O ATOM 1213 CB LYS A 81 7.159 -3.560 5.026 1.00 0.00 C ATOM 1214 CG LYS A 81 7.316 -4.889 4.285 1.00 0.00 C ATOM 1215 CD LYS A 81 8.678 -4.974 3.594 1.00 0.00 C ATOM 1216 CE LYS A 81 9.780 -5.323 4.597 1.00 0.00 C ATOM 1217 NZ LYS A 81 11.074 -5.508 3.902 1.00 0.00 N ATOM 0 H LYS A 81 7.815 -0.829 4.707 1.00 0.00 H new ATOM 0 HA LYS A 81 6.446 -2.958 3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.115 -3.266 5.459 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.459 -3.681 5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.208 -5.716 4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.522 -4.993 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.645 -5.728 2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.906 -4.023 3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.869 -4.530 5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.516 -6.234 5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.811 -5.744 4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.990 -6.281 3.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.332 -4.629 3.409 1.00 0.00 H new ATOM 1231 N ILE A 82 4.253 -2.442 4.206 1.00 0.00 N ATOM 1232 CA ILE A 82 2.945 -1.929 4.578 1.00 0.00 C ATOM 1233 C ILE A 82 2.070 -3.083 5.070 1.00 0.00 C ATOM 1234 O ILE A 82 1.605 -3.897 4.274 1.00 0.00 O ATOM 1235 CB ILE A 82 2.330 -1.141 3.420 1.00 0.00 C ATOM 1236 CG1 ILE A 82 3.254 -0.004 2.977 1.00 0.00 C ATOM 1237 CG2 ILE A 82 0.932 -0.635 3.782 1.00 0.00 C ATOM 1238 CD1 ILE A 82 3.133 1.198 3.916 1.00 0.00 C ATOM 0 H ILE A 82 4.234 -3.313 3.676 1.00 0.00 H new ATOM 0 HA ILE A 82 3.033 -1.222 5.403 1.00 0.00 H new ATOM 0 HB ILE A 82 2.219 -1.815 2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.286 -0.355 2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.004 0.298 1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.518 -0.078 2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.286 -1.483 4.010 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.995 0.017 4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.800 1.992 3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.105 1.561 3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.408 0.899 4.927 1.00 0.00 H new ATOM 1250 N MET A 83 1.871 -3.116 6.380 1.00 0.00 N ATOM 1251 CA MET A 83 1.060 -4.157 6.987 1.00 0.00 C ATOM 1252 C MET A 83 -0.424 -3.788 6.948 1.00 0.00 C ATOM 1253 O MET A 83 -0.878 -2.941 7.717 1.00 0.00 O ATOM 1254 CB MET A 83 1.497 -4.363 8.439 1.00 0.00 C ATOM 1255 CG MET A 83 1.071 -5.741 8.950 1.00 0.00 C ATOM 1256 SD MET A 83 2.386 -6.467 9.914 1.00 0.00 S ATOM 1257 CE MET A 83 2.909 -7.760 8.801 1.00 0.00 C ATOM 0 H MET A 83 2.258 -2.439 7.037 1.00 0.00 H new ATOM 0 HA MET A 83 1.201 -5.078 6.421 1.00 0.00 H new ATOM 0 HB2 MET A 83 2.580 -4.262 8.514 1.00 0.00 H new ATOM 0 HB3 MET A 83 1.060 -3.587 9.068 1.00 0.00 H new ATOM 0 HG2 MET A 83 0.171 -5.650 9.558 1.00 0.00 H new ATOM 0 HG3 MET A 83 0.824 -6.390 8.109 1.00 0.00 H new ATOM 0 HE1 MET A 83 3.249 -8.621 9.377 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.073 -8.055 8.167 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.725 -7.395 8.178 1.00 0.00 H new ATOM 1267 N VAL A 84 -1.140 -4.442 6.045 1.00 0.00 N ATOM 1268 CA VAL A 84 -2.564 -4.193 5.896 1.00 0.00 C ATOM 1269 C VAL A 84 -3.348 -5.328 6.558 1.00 0.00 C ATOM 1270 O VAL A 84 -2.806 -6.408 6.790 1.00 0.00 O ATOM 1271 CB VAL A 84 -2.911 -4.010 4.417 1.00 0.00 C ATOM 1272 CG1 VAL A 84 -4.388 -3.653 4.240 1.00 0.00 C ATOM 1273 CG2 VAL A 84 -2.010 -2.957 3.768 1.00 0.00 C ATOM 0 H VAL A 84 -0.761 -5.144 5.409 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.845 -3.268 6.399 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.733 -4.959 3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.608 -3.529 3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.007 -4.452 4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.603 -2.723 4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.278 -2.847 2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.140 -2.002 4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.969 -3.271 3.846 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.610 -5.045 6.843 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.474 -6.029 7.474 1.00 0.00 C ATOM 1285 C VAL A 85 -6.848 -5.999 6.803 1.00 0.00 C ATOM 1286 O VAL A 85 -7.041 -5.306 5.805 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.539 -5.778 8.981 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -6.569 -4.696 9.313 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.839 -7.072 9.740 1.00 0.00 C ATOM 0 H VAL A 85 -5.056 -4.148 6.649 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.070 -7.033 7.343 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.561 -5.420 9.303 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.595 -4.537 10.391 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.293 -3.766 8.816 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.554 -5.013 8.969 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.880 -6.865 10.809 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.798 -7.473 9.411 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.053 -7.801 9.541 1.00 0.00 H new ATOM 1299 N GLY A 86 -7.769 -6.760 7.377 1.00 0.00 N ATOM 1300 CA GLY A 86 -9.120 -6.829 6.847 1.00 0.00 C ATOM 1301 C GLY A 86 -9.236 -7.924 5.785 1.00 0.00 C ATOM 1302 O GLY A 86 -8.269 -8.633 5.510 1.00 0.00 O ATOM 0 H GLY A 86 -7.606 -7.334 8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.823 -7.027 7.657 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.394 -5.867 6.414 1.00 0.00 H new ATOM 1306 N SER A 87 -10.428 -8.027 5.215 1.00 0.00 N ATOM 1307 CA SER A 87 -10.684 -9.023 4.189 1.00 0.00 C ATOM 1308 C SER A 87 -12.064 -8.794 3.570 1.00 0.00 C ATOM 1309 O SER A 87 -13.003 -8.407 4.264 1.00 0.00 O ATOM 1310 CB SER A 87 -10.585 -10.439 4.759 1.00 0.00 C ATOM 1311 OG SER A 87 -10.862 -11.431 3.774 1.00 0.00 O ATOM 0 H SER A 87 -11.227 -7.437 5.445 1.00 0.00 H new ATOM 0 HA SER A 87 -9.924 -8.919 3.414 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.585 -10.598 5.163 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.284 -10.546 5.588 1.00 0.00 H new ATOM 0 HG SER A 87 -10.787 -12.321 4.176 1.00 0.00 H new ATOM 1317 N THR A 88 -12.144 -9.044 2.271 1.00 0.00 N ATOM 1318 CA THR A 88 -13.394 -8.870 1.551 1.00 0.00 C ATOM 1319 C THR A 88 -13.491 -9.874 0.401 1.00 0.00 C ATOM 1320 O THR A 88 -12.474 -10.294 -0.149 1.00 0.00 O ATOM 1321 CB THR A 88 -13.477 -7.412 1.094 1.00 0.00 C ATOM 1322 OG1 THR A 88 -14.789 -7.294 0.550 1.00 0.00 O ATOM 1323 CG2 THR A 88 -12.555 -7.117 -0.091 1.00 0.00 C ATOM 0 H THR A 88 -11.363 -9.366 1.699 1.00 0.00 H new ATOM 0 HA THR A 88 -14.252 -9.074 2.192 1.00 0.00 H new ATOM 0 HB THR A 88 -13.221 -6.755 1.926 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.930 -6.378 0.231 1.00 0.00 H new ATOM 0 HG21 THR A 88 -12.652 -6.069 -0.376 1.00 0.00 H new ATOM 0 HG22 THR A 88 -11.522 -7.322 0.192 1.00 0.00 H new ATOM 0 HG23 THR A 88 -12.833 -7.749 -0.934 1.00 0.00 H new ATOM 1331 N ILE A 89 -14.724 -10.231 0.072 1.00 0.00 N ATOM 1332 CA ILE A 89 -14.967 -11.179 -1.003 1.00 0.00 C ATOM 1333 C ILE A 89 -16.205 -10.744 -1.790 1.00 0.00 C ATOM 1334 O ILE A 89 -17.319 -11.164 -1.482 1.00 0.00 O ATOM 1335 CB ILE A 89 -15.058 -12.603 -0.451 1.00 0.00 C ATOM 1336 CG1 ILE A 89 -13.713 -13.057 0.119 1.00 0.00 C ATOM 1337 CG2 ILE A 89 -15.586 -13.569 -1.513 1.00 0.00 C ATOM 1338 CD1 ILE A 89 -13.848 -14.400 0.839 1.00 0.00 C ATOM 0 H ILE A 89 -15.565 -9.881 0.531 1.00 0.00 H new ATOM 0 HA ILE A 89 -14.130 -11.186 -1.702 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.773 -12.606 0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.983 -13.144 -0.686 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -13.335 -12.305 0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -15.641 -14.574 -1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -16.580 -13.253 -1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -14.914 -13.569 -2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.878 -14.700 1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -14.560 -14.303 1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.203 -15.155 0.137 1.00 0.00 H new ATOM 1350 N SER A 90 -15.967 -9.908 -2.790 1.00 0.00 N ATOM 1351 CA SER A 90 -17.049 -9.411 -3.623 1.00 0.00 C ATOM 1352 C SER A 90 -16.482 -8.788 -4.900 1.00 0.00 C ATOM 1353 O SER A 90 -15.271 -8.606 -5.022 1.00 0.00 O ATOM 1354 CB SER A 90 -17.902 -8.391 -2.868 1.00 0.00 C ATOM 1355 OG SER A 90 -17.137 -7.269 -2.438 1.00 0.00 O ATOM 0 H SER A 90 -15.041 -9.562 -3.042 1.00 0.00 H new ATOM 0 HA SER A 90 -17.689 -10.252 -3.890 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.714 -8.051 -3.511 1.00 0.00 H new ATOM 0 HB3 SER A 90 -18.360 -8.871 -2.003 1.00 0.00 H new ATOM 0 HG SER A 90 -17.718 -6.640 -1.962 1.00 0.00 H new ATOM 1361 N GLY A 91 -17.383 -8.476 -5.820 1.00 0.00 N ATOM 1362 CA GLY A 91 -16.988 -7.877 -7.083 1.00 0.00 C ATOM 1363 C GLY A 91 -18.212 -7.425 -7.882 1.00 0.00 C ATOM 1364 O GLY A 91 -18.837 -8.229 -8.573 1.00 0.00 O ATOM 0 H GLY A 91 -18.386 -8.627 -5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -16.336 -7.024 -6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.413 -8.596 -7.667 1.00 0.00 H new ATOM 1368 N PRO A 92 -18.525 -6.108 -7.759 1.00 0.00 N ATOM 1369 CA PRO A 92 -19.663 -5.540 -8.462 1.00 0.00 C ATOM 1370 C PRO A 92 -19.355 -5.363 -9.950 1.00 0.00 C ATOM 1371 O PRO A 92 -20.068 -5.893 -10.802 1.00 0.00 O ATOM 1372 CB PRO A 92 -19.947 -4.225 -7.754 1.00 0.00 C ATOM 1373 CG PRO A 92 -18.680 -3.884 -6.986 1.00 0.00 C ATOM 1374 CD PRO A 92 -17.807 -5.127 -6.950 1.00 0.00 C ATOM 0 HA PRO A 92 -20.539 -6.188 -8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -20.193 -3.441 -8.470 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -20.799 -4.320 -7.080 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -18.152 -3.061 -7.467 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -18.923 -3.559 -5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -16.816 -4.927 -7.358 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.666 -5.482 -5.929 1.00 0.00 H new ATOM 1382 N SER A 93 -18.294 -4.617 -10.218 1.00 0.00 N ATOM 1383 CA SER A 93 -17.883 -4.364 -11.589 1.00 0.00 C ATOM 1384 C SER A 93 -16.393 -4.022 -11.634 1.00 0.00 C ATOM 1385 O SER A 93 -15.812 -3.627 -10.624 1.00 0.00 O ATOM 1386 CB SER A 93 -18.707 -3.235 -12.211 1.00 0.00 C ATOM 1387 OG SER A 93 -19.089 -3.529 -13.552 1.00 0.00 O ATOM 0 H SER A 93 -17.706 -4.179 -9.509 1.00 0.00 H new ATOM 0 HA SER A 93 -18.059 -5.268 -12.172 1.00 0.00 H new ATOM 0 HB2 SER A 93 -19.599 -3.064 -11.609 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.128 -2.312 -12.193 1.00 0.00 H new ATOM 0 HG SER A 93 -19.615 -2.785 -13.913 1.00 0.00 H new ATOM 1393 N SER A 94 -15.816 -4.185 -12.815 1.00 0.00 N ATOM 1394 CA SER A 94 -14.404 -3.898 -13.005 1.00 0.00 C ATOM 1395 C SER A 94 -14.202 -2.399 -13.238 1.00 0.00 C ATOM 1396 O SER A 94 -14.869 -1.803 -14.082 1.00 0.00 O ATOM 1397 CB SER A 94 -13.832 -4.699 -14.176 1.00 0.00 C ATOM 1398 OG SER A 94 -14.618 -4.555 -15.356 1.00 0.00 O ATOM 0 H SER A 94 -16.301 -4.512 -13.651 1.00 0.00 H new ATOM 0 HA SER A 94 -13.870 -4.194 -12.102 1.00 0.00 H new ATOM 0 HB2 SER A 94 -12.813 -4.369 -14.377 1.00 0.00 H new ATOM 0 HB3 SER A 94 -13.778 -5.753 -13.903 1.00 0.00 H new ATOM 0 HG SER A 94 -15.013 -3.658 -15.379 1.00 0.00 H new ATOM 1404 N GLY A 95 -13.278 -1.834 -12.474 1.00 0.00 N ATOM 1405 CA GLY A 95 -12.980 -0.416 -12.587 1.00 0.00 C ATOM 1406 C GLY A 95 -13.547 0.360 -11.396 1.00 0.00 C ATOM 1407 O GLY A 95 -12.979 1.367 -10.980 1.00 0.00 O ATOM 0 H GLY A 95 -12.727 -2.332 -11.775 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.901 -0.271 -12.640 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.400 -0.025 -13.514 1.00 0.00 H new TER 1411 GLY A 95