USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=25 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 25 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.139 (180deg=0) USER MOD Single : A 2 SER OG : rot 61:sc= 0.144 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.653 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 170:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.622 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -146:sc= 1.09 (180deg=0.349) USER MOD Single : A 44 GLN : amide:sc= -0.15 K(o=-0.15,f=-2.6!) USER MOD Single : A 45 LYS NZ :NH3+ -123:sc= 0.164 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.333 X(o=-0.33,f=0.078) USER MOD Single : A 48 SER OG : rot 93:sc= 0.579 USER MOD Single : A 50 THR OG1 : rot -21:sc= -2.91! USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.243 K(o=-0.24,f=-1.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 145:sc= -0.51 (180deg=-2.45!) 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 180:sc= -0.0869 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= 0.206 USER MOD Single : A 81 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0237) USER MOD Single : A 83 MET CE :methyl -131:sc= -0.218 (180deg=-2.29!) 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=-0.00396 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.309 -28.251 -20.523 1.00 0.00 N ATOM 2 CA GLY A 1 2.503 -27.042 -20.524 1.00 0.00 C ATOM 3 C GLY A 1 3.361 -25.811 -20.225 1.00 0.00 C ATOM 4 O GLY A 1 4.571 -25.925 -20.033 1.00 0.00 O ATOM 0 H1 GLY A 1 3.251 -28.707 -21.456 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.299 -28.008 -20.317 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.954 -28.904 -19.795 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.018 -26.925 -21.493 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.712 -27.128 -19.779 1.00 0.00 H new ATOM 8 N SER A 2 2.701 -24.663 -20.195 1.00 0.00 N ATOM 9 CA SER A 2 3.389 -23.412 -19.922 1.00 0.00 C ATOM 10 C SER A 2 2.392 -22.251 -19.946 1.00 0.00 C ATOM 11 O SER A 2 1.415 -22.283 -20.692 1.00 0.00 O ATOM 12 CB SER A 2 4.512 -23.169 -20.932 1.00 0.00 C ATOM 13 OG SER A 2 5.801 -23.288 -20.337 1.00 0.00 O ATOM 0 H SER A 2 1.698 -24.572 -20.355 1.00 0.00 H new ATOM 0 HA SER A 2 3.837 -23.477 -18.931 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.424 -23.883 -21.751 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.402 -22.174 -21.363 1.00 0.00 H new ATOM 0 HG SER A 2 5.914 -24.194 -19.981 1.00 0.00 H new ATOM 19 N SER A 3 2.674 -21.254 -19.121 1.00 0.00 N ATOM 20 CA SER A 3 1.815 -20.085 -19.039 1.00 0.00 C ATOM 21 C SER A 3 2.432 -19.047 -18.100 1.00 0.00 C ATOM 22 O SER A 3 3.180 -19.396 -17.188 1.00 0.00 O ATOM 23 CB SER A 3 0.412 -20.465 -18.561 1.00 0.00 C ATOM 24 OG SER A 3 0.360 -20.648 -17.148 1.00 0.00 O ATOM 0 H SER A 3 3.485 -21.231 -18.503 1.00 0.00 H new ATOM 0 HA SER A 3 1.726 -19.656 -20.037 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.293 -19.686 -18.852 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.096 -21.383 -19.057 1.00 0.00 H new ATOM 0 HG SER A 3 -0.552 -20.888 -16.883 1.00 0.00 H new ATOM 30 N GLY A 4 2.095 -17.791 -18.355 1.00 0.00 N ATOM 31 CA GLY A 4 2.607 -16.699 -17.543 1.00 0.00 C ATOM 32 C GLY A 4 2.227 -15.345 -18.144 1.00 0.00 C ATOM 33 O GLY A 4 2.253 -15.172 -19.362 1.00 0.00 O ATOM 0 H GLY A 4 1.474 -17.505 -19.112 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.210 -16.776 -16.531 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.692 -16.775 -17.466 1.00 0.00 H new ATOM 37 N SER A 5 1.882 -14.418 -17.262 1.00 0.00 N ATOM 38 CA SER A 5 1.497 -13.084 -17.690 1.00 0.00 C ATOM 39 C SER A 5 1.601 -12.107 -16.517 1.00 0.00 C ATOM 40 O SER A 5 1.669 -12.525 -15.361 1.00 0.00 O ATOM 41 CB SER A 5 0.078 -13.077 -18.262 1.00 0.00 C ATOM 42 OG SER A 5 -0.188 -11.897 -19.015 1.00 0.00 O ATOM 0 H SER A 5 1.861 -14.565 -16.253 1.00 0.00 H new ATOM 0 HA SER A 5 2.180 -12.768 -18.479 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.061 -13.952 -18.897 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.642 -13.157 -17.447 1.00 0.00 H new ATOM 0 HG SER A 5 -1.103 -11.931 -19.365 1.00 0.00 H new ATOM 48 N SER A 6 1.611 -10.826 -16.854 1.00 0.00 N ATOM 49 CA SER A 6 1.706 -9.787 -15.842 1.00 0.00 C ATOM 50 C SER A 6 1.582 -8.409 -16.495 1.00 0.00 C ATOM 51 O SER A 6 1.648 -8.289 -17.717 1.00 0.00 O ATOM 52 CB SER A 6 3.021 -9.891 -15.067 1.00 0.00 C ATOM 53 OG SER A 6 2.810 -9.899 -13.658 1.00 0.00 O ATOM 0 H SER A 6 1.555 -10.484 -17.813 1.00 0.00 H new ATOM 0 HA SER A 6 0.888 -9.922 -15.135 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.544 -10.801 -15.361 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.666 -9.053 -15.332 1.00 0.00 H new ATOM 0 HG SER A 6 3.673 -9.968 -13.198 1.00 0.00 H new ATOM 59 N GLY A 7 1.405 -7.403 -15.650 1.00 0.00 N ATOM 60 CA GLY A 7 1.272 -6.038 -16.130 1.00 0.00 C ATOM 61 C GLY A 7 1.450 -5.036 -14.988 1.00 0.00 C ATOM 62 O GLY A 7 1.231 -5.370 -13.824 1.00 0.00 O ATOM 0 H GLY A 7 1.351 -7.506 -14.637 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.014 -5.847 -16.905 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.292 -5.903 -16.587 1.00 0.00 H new ATOM 66 N ASP A 8 1.847 -3.828 -15.360 1.00 0.00 N ATOM 67 CA ASP A 8 2.058 -2.775 -14.381 1.00 0.00 C ATOM 68 C ASP A 8 2.024 -1.416 -15.084 1.00 0.00 C ATOM 69 O ASP A 8 2.392 -1.309 -16.253 1.00 0.00 O ATOM 70 CB ASP A 8 3.420 -2.921 -13.699 1.00 0.00 C ATOM 71 CG ASP A 8 3.373 -3.469 -12.272 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.322 -3.276 -11.624 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.390 -4.069 -11.861 1.00 0.00 O ATOM 0 H ASP A 8 2.028 -3.555 -16.326 1.00 0.00 H new ATOM 0 HA ASP A 8 1.270 -2.849 -13.632 1.00 0.00 H new ATOM 0 HB2 ASP A 8 4.044 -3.579 -14.304 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.907 -1.946 -13.682 1.00 0.00 H new ATOM 78 N ALA A 9 1.579 -0.413 -14.342 1.00 0.00 N ATOM 79 CA ALA A 9 1.492 0.934 -14.880 1.00 0.00 C ATOM 80 C ALA A 9 0.994 1.884 -13.789 1.00 0.00 C ATOM 81 O ALA A 9 0.172 1.503 -12.957 1.00 0.00 O ATOM 82 CB ALA A 9 0.584 0.935 -16.112 1.00 0.00 C ATOM 0 H ALA A 9 1.275 -0.506 -13.373 1.00 0.00 H new ATOM 0 HA ALA A 9 2.474 1.283 -15.198 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.519 1.946 -16.515 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.997 0.268 -16.869 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.412 0.592 -15.831 1.00 0.00 H new ATOM 88 N GLY A 10 1.514 3.102 -13.826 1.00 0.00 N ATOM 89 CA GLY A 10 1.133 4.109 -12.850 1.00 0.00 C ATOM 90 C GLY A 10 1.603 5.498 -13.284 1.00 0.00 C ATOM 91 O GLY A 10 2.120 5.667 -14.388 1.00 0.00 O ATOM 0 H GLY A 10 2.196 3.414 -14.517 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.050 4.110 -12.727 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.564 3.862 -11.880 1.00 0.00 H new ATOM 95 N GLY A 11 1.407 6.459 -12.393 1.00 0.00 N ATOM 96 CA GLY A 11 1.804 7.829 -12.670 1.00 0.00 C ATOM 97 C GLY A 11 2.311 8.520 -11.403 1.00 0.00 C ATOM 98 O GLY A 11 2.095 8.030 -10.296 1.00 0.00 O ATOM 0 H GLY A 11 0.978 6.316 -11.479 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.585 7.838 -13.431 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.957 8.382 -13.076 1.00 0.00 H new ATOM 102 N GLY A 12 2.977 9.647 -11.608 1.00 0.00 N ATOM 103 CA GLY A 12 3.517 10.410 -10.495 1.00 0.00 C ATOM 104 C GLY A 12 4.513 11.463 -10.985 1.00 0.00 C ATOM 105 O GLY A 12 5.020 11.371 -12.102 1.00 0.00 O ATOM 0 H GLY A 12 3.155 10.050 -12.528 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.705 10.896 -9.954 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.009 9.737 -9.793 1.00 0.00 H new ATOM 109 N VAL A 13 4.764 12.439 -10.125 1.00 0.00 N ATOM 110 CA VAL A 13 5.691 13.508 -10.456 1.00 0.00 C ATOM 111 C VAL A 13 6.822 13.535 -9.425 1.00 0.00 C ATOM 112 O VAL A 13 6.618 13.179 -8.266 1.00 0.00 O ATOM 113 CB VAL A 13 4.941 14.838 -10.555 1.00 0.00 C ATOM 114 CG1 VAL A 13 3.876 14.787 -11.651 1.00 0.00 C ATOM 115 CG2 VAL A 13 4.324 15.221 -9.208 1.00 0.00 C ATOM 0 H VAL A 13 4.342 12.512 -9.199 1.00 0.00 H new ATOM 0 HA VAL A 13 6.145 13.332 -11.431 1.00 0.00 H new ATOM 0 HB VAL A 13 5.662 15.610 -10.825 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.358 15.745 -11.700 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.351 14.582 -12.610 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.159 13.998 -11.425 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.797 16.170 -9.306 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.623 14.447 -8.896 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.112 15.319 -8.462 1.00 0.00 H new ATOM 125 N GLY A 14 7.989 13.959 -9.886 1.00 0.00 N ATOM 126 CA GLY A 14 9.152 14.036 -9.019 1.00 0.00 C ATOM 127 C GLY A 14 10.290 13.159 -9.548 1.00 0.00 C ATOM 128 O GLY A 14 11.045 13.578 -10.424 1.00 0.00 O ATOM 0 H GLY A 14 8.154 14.253 -10.849 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.489 15.070 -8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.881 13.718 -8.012 1.00 0.00 H new ATOM 132 N LYS A 15 10.375 11.959 -8.993 1.00 0.00 N ATOM 133 CA LYS A 15 11.407 11.020 -9.397 1.00 0.00 C ATOM 134 C LYS A 15 10.808 9.614 -9.480 1.00 0.00 C ATOM 135 O LYS A 15 9.592 9.449 -9.404 1.00 0.00 O ATOM 136 CB LYS A 15 12.617 11.119 -8.466 1.00 0.00 C ATOM 137 CG LYS A 15 13.424 12.388 -8.748 1.00 0.00 C ATOM 138 CD LYS A 15 14.377 12.181 -9.927 1.00 0.00 C ATOM 139 CE LYS A 15 15.685 12.946 -9.715 1.00 0.00 C ATOM 140 NZ LYS A 15 16.806 12.005 -9.498 1.00 0.00 N ATOM 0 H LYS A 15 9.746 11.616 -8.267 1.00 0.00 H new ATOM 0 HA LYS A 15 11.778 11.268 -10.391 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.283 11.119 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.253 10.243 -8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.746 13.214 -8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.993 12.666 -7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.588 11.118 -10.046 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.900 12.517 -10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.891 13.573 -10.583 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.589 13.611 -8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.686 12.540 -9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.614 11.425 -8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.907 11.388 -10.329 1.00 0.00 H new ATOM 154 N GLU A 16 11.690 8.638 -9.634 1.00 0.00 N ATOM 155 CA GLU A 16 11.263 7.252 -9.728 1.00 0.00 C ATOM 156 C GLU A 16 10.482 6.851 -8.475 1.00 0.00 C ATOM 157 O GLU A 16 11.024 6.867 -7.370 1.00 0.00 O ATOM 158 CB GLU A 16 12.459 6.324 -9.949 1.00 0.00 C ATOM 159 CG GLU A 16 12.019 4.859 -9.973 1.00 0.00 C ATOM 160 CD GLU A 16 12.979 3.984 -9.164 1.00 0.00 C ATOM 161 OE1 GLU A 16 13.966 3.514 -9.770 1.00 0.00 O ATOM 162 OE2 GLU A 16 12.704 3.806 -7.958 1.00 0.00 O ATOM 0 H GLU A 16 12.698 8.779 -9.696 1.00 0.00 H new ATOM 0 HA GLU A 16 10.604 7.153 -10.590 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.950 6.575 -10.889 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.192 6.474 -9.156 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.012 4.772 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.979 4.505 -11.003 1.00 0.00 H new ATOM 169 N LEU A 17 9.222 6.501 -8.688 1.00 0.00 N ATOM 170 CA LEU A 17 8.362 6.097 -7.589 1.00 0.00 C ATOM 171 C LEU A 17 9.153 5.208 -6.628 1.00 0.00 C ATOM 172 O LEU A 17 10.097 4.532 -7.035 1.00 0.00 O ATOM 173 CB LEU A 17 7.085 5.443 -8.121 1.00 0.00 C ATOM 174 CG LEU A 17 6.267 6.276 -9.111 1.00 0.00 C ATOM 175 CD1 LEU A 17 6.319 7.762 -8.751 1.00 0.00 C ATOM 176 CD2 LEU A 17 6.719 6.018 -10.550 1.00 0.00 C ATOM 0 H LEU A 17 8.776 6.489 -9.605 1.00 0.00 H new ATOM 0 HA LEU A 17 8.035 6.968 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.355 4.504 -8.603 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.448 5.194 -7.273 1.00 0.00 H new ATOM 0 HG LEU A 17 5.225 5.964 -9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.730 8.331 -9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.911 7.909 -7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.353 8.106 -8.775 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.122 6.622 -11.233 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.771 6.285 -10.654 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.587 4.963 -10.789 1.00 0.00 H new ATOM 188 N VAL A 18 8.739 5.237 -5.369 1.00 0.00 N ATOM 189 CA VAL A 18 9.398 4.443 -4.347 1.00 0.00 C ATOM 190 C VAL A 18 8.820 3.026 -4.357 1.00 0.00 C ATOM 191 O VAL A 18 7.611 2.846 -4.493 1.00 0.00 O ATOM 192 CB VAL A 18 9.270 5.131 -2.986 1.00 0.00 C ATOM 193 CG1 VAL A 18 7.815 5.509 -2.698 1.00 0.00 C ATOM 194 CG2 VAL A 18 9.839 4.251 -1.871 1.00 0.00 C ATOM 0 H VAL A 18 7.956 5.798 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 18 10.465 4.361 -4.556 1.00 0.00 H new ATOM 0 HB VAL A 18 9.855 6.050 -3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.751 5.996 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.457 6.191 -3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.199 4.610 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.736 4.763 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.294 3.308 -1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.893 4.054 -2.065 1.00 0.00 H new ATOM 204 N ASP A 19 9.711 2.056 -4.211 1.00 0.00 N ATOM 205 CA ASP A 19 9.305 0.662 -4.202 1.00 0.00 C ATOM 206 C ASP A 19 8.719 0.315 -2.832 1.00 0.00 C ATOM 207 O ASP A 19 9.424 0.346 -1.825 1.00 0.00 O ATOM 208 CB ASP A 19 10.499 -0.262 -4.453 1.00 0.00 C ATOM 209 CG ASP A 19 10.866 -0.458 -5.925 1.00 0.00 C ATOM 210 OD1 ASP A 19 9.982 -0.929 -6.673 1.00 0.00 O ATOM 211 OD2 ASP A 19 12.023 -0.133 -6.270 1.00 0.00 O ATOM 0 H ASP A 19 10.713 2.209 -4.098 1.00 0.00 H new ATOM 0 HA ASP A 19 8.568 0.521 -4.992 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.366 0.139 -3.928 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.284 -1.237 -4.015 1.00 0.00 H new ATOM 216 N LEU A 20 7.434 -0.009 -2.838 1.00 0.00 N ATOM 217 CA LEU A 20 6.745 -0.361 -1.608 1.00 0.00 C ATOM 218 C LEU A 20 6.049 -1.712 -1.788 1.00 0.00 C ATOM 219 O LEU A 20 5.570 -2.028 -2.876 1.00 0.00 O ATOM 220 CB LEU A 20 5.801 0.765 -1.182 1.00 0.00 C ATOM 221 CG LEU A 20 6.424 2.158 -1.075 1.00 0.00 C ATOM 222 CD1 LEU A 20 5.352 3.220 -0.822 1.00 0.00 C ATOM 223 CD2 LEU A 20 7.522 2.187 -0.010 1.00 0.00 C ATOM 0 H LEU A 20 6.852 -0.035 -3.675 1.00 0.00 H new ATOM 0 HA LEU A 20 7.457 -0.475 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.977 0.811 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.371 0.506 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 20 6.894 2.396 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.822 4.201 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.638 3.219 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.832 2.997 0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.948 3.189 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.098 1.919 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.303 1.474 -0.274 1.00 0.00 H new ATOM 235 N LYS A 21 6.016 -2.473 -0.704 1.00 0.00 N ATOM 236 CA LYS A 21 5.388 -3.783 -0.728 1.00 0.00 C ATOM 237 C LYS A 21 4.065 -3.723 0.038 1.00 0.00 C ATOM 238 O LYS A 21 4.053 -3.499 1.248 1.00 0.00 O ATOM 239 CB LYS A 21 6.352 -4.850 -0.206 1.00 0.00 C ATOM 240 CG LYS A 21 7.000 -5.616 -1.362 1.00 0.00 C ATOM 241 CD LYS A 21 8.488 -5.852 -1.098 1.00 0.00 C ATOM 242 CE LYS A 21 9.099 -6.754 -2.172 1.00 0.00 C ATOM 243 NZ LYS A 21 10.203 -7.560 -1.604 1.00 0.00 N ATOM 0 H LYS A 21 6.414 -2.207 0.197 1.00 0.00 H new ATOM 0 HA LYS A 21 5.152 -4.073 -1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.125 -4.381 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.816 -5.545 0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.495 -6.572 -1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.876 -5.056 -2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.013 -4.897 -1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.619 -6.309 -0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.333 -7.413 -2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.471 -6.147 -2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.607 -8.167 -2.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.941 -6.927 -1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.838 -8.154 -0.832 1.00 0.00 H new ATOM 257 N ILE A 22 2.982 -3.926 -0.698 1.00 0.00 N ATOM 258 CA ILE A 22 1.657 -3.898 -0.102 1.00 0.00 C ATOM 259 C ILE A 22 1.413 -5.207 0.651 1.00 0.00 C ATOM 260 O ILE A 22 0.927 -6.179 0.074 1.00 0.00 O ATOM 261 CB ILE A 22 0.598 -3.594 -1.165 1.00 0.00 C ATOM 262 CG1 ILE A 22 0.974 -2.350 -1.973 1.00 0.00 C ATOM 263 CG2 ILE A 22 -0.791 -3.472 -0.536 1.00 0.00 C ATOM 264 CD1 ILE A 22 0.418 -1.083 -1.318 1.00 0.00 C ATOM 0 H ILE A 22 2.995 -4.110 -1.701 1.00 0.00 H new ATOM 0 HA ILE A 22 1.585 -3.092 0.628 1.00 0.00 H new ATOM 0 HB ILE A 22 0.563 -4.431 -1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.059 -2.277 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.586 -2.440 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.524 -3.256 -1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.050 -4.409 -0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.789 -2.664 0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.699 -0.213 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.669 -1.149 -1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.827 -0.984 -0.313 1.00 0.00 H new ATOM 276 N ILE A 23 1.761 -5.190 1.930 1.00 0.00 N ATOM 277 CA ILE A 23 1.586 -6.364 2.768 1.00 0.00 C ATOM 278 C ILE A 23 0.121 -6.463 3.201 1.00 0.00 C ATOM 279 O ILE A 23 -0.519 -5.448 3.474 1.00 0.00 O ATOM 280 CB ILE A 23 2.572 -6.338 3.938 1.00 0.00 C ATOM 281 CG1 ILE A 23 3.996 -6.069 3.449 1.00 0.00 C ATOM 282 CG2 ILE A 23 2.482 -7.626 4.759 1.00 0.00 C ATOM 283 CD1 ILE A 23 4.591 -7.311 2.782 1.00 0.00 C ATOM 0 H ILE A 23 2.163 -4.382 2.406 1.00 0.00 H new ATOM 0 HA ILE A 23 1.815 -7.270 2.207 1.00 0.00 H new ATOM 0 HB ILE A 23 2.297 -5.515 4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.991 -5.239 2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.622 -5.768 4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.193 -7.582 5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.472 -7.735 5.155 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.717 -8.480 4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.604 -7.092 2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.617 -8.132 3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.976 -7.595 1.928 1.00 0.00 H new ATOM 295 N TRP A 24 -0.366 -7.694 3.248 1.00 0.00 N ATOM 296 CA TRP A 24 -1.744 -7.938 3.642 1.00 0.00 C ATOM 297 C TRP A 24 -1.960 -9.452 3.690 1.00 0.00 C ATOM 298 O TRP A 24 -1.786 -10.139 2.685 1.00 0.00 O ATOM 299 CB TRP A 24 -2.718 -7.224 2.703 1.00 0.00 C ATOM 300 CG TRP A 24 -4.175 -7.272 3.165 1.00 0.00 C ATOM 301 CD1 TRP A 24 -4.641 -7.414 4.414 1.00 0.00 C ATOM 302 CD2 TRP A 24 -5.347 -7.169 2.328 1.00 0.00 C ATOM 303 NE1 TRP A 24 -6.021 -7.412 4.442 1.00 0.00 N ATOM 304 CE2 TRP A 24 -6.463 -7.258 3.134 1.00 0.00 C ATOM 305 CE3 TRP A 24 -5.458 -7.007 0.936 1.00 0.00 C ATOM 306 CZ2 TRP A 24 -7.772 -7.195 2.640 1.00 0.00 C ATOM 307 CZ3 TRP A 24 -6.773 -6.946 0.458 1.00 0.00 C ATOM 308 CH2 TRP A 24 -7.908 -7.033 1.256 1.00 0.00 C ATOM 0 H TRP A 24 0.168 -8.533 3.020 1.00 0.00 H new ATOM 0 HA TRP A 24 -1.941 -7.526 4.632 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.413 -6.182 2.604 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.647 -7.673 1.712 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -4.015 -7.517 5.288 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.608 -7.506 5.271 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.598 -6.935 0.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -8.630 -7.267 3.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.915 -6.823 -0.605 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -8.890 -6.976 0.810 1.00 0.00 H new ATOM 319 N ASN A 25 -2.336 -9.927 4.868 1.00 0.00 N ATOM 320 CA ASN A 25 -2.578 -11.347 5.060 1.00 0.00 C ATOM 321 C ASN A 25 -1.246 -12.097 5.017 1.00 0.00 C ATOM 322 O ASN A 25 -0.751 -12.550 6.048 1.00 0.00 O ATOM 323 CB ASN A 25 -3.472 -11.908 3.952 1.00 0.00 C ATOM 324 CG ASN A 25 -4.783 -12.449 4.527 1.00 0.00 C ATOM 325 OD1 ASN A 25 -4.810 -13.399 5.292 1.00 0.00 O ATOM 326 ND2 ASN A 25 -5.865 -11.793 4.117 1.00 0.00 N ATOM 0 H ASN A 25 -2.479 -9.354 5.699 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.072 -11.478 6.023 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.686 -11.127 3.222 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.947 -12.704 3.424 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.788 -12.077 4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.771 -11.006 3.475 1.00 0.00 H new ATOM 333 N LYS A 26 -0.703 -12.206 3.813 1.00 0.00 N ATOM 334 CA LYS A 26 0.563 -12.894 3.623 1.00 0.00 C ATOM 335 C LYS A 26 0.947 -12.846 2.143 1.00 0.00 C ATOM 336 O LYS A 26 1.445 -13.828 1.595 1.00 0.00 O ATOM 337 CB LYS A 26 0.494 -14.311 4.195 1.00 0.00 C ATOM 338 CG LYS A 26 -0.921 -14.881 4.078 1.00 0.00 C ATOM 339 CD LYS A 26 -0.886 -16.392 3.836 1.00 0.00 C ATOM 340 CE LYS A 26 -1.261 -16.725 2.391 1.00 0.00 C ATOM 341 NZ LYS A 26 -0.169 -17.474 1.731 1.00 0.00 N ATOM 0 H LYS A 26 -1.116 -11.830 2.960 1.00 0.00 H new ATOM 0 HA LYS A 26 1.357 -12.391 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.195 -14.956 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.800 -14.300 5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.479 -14.668 4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.448 -14.390 3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.111 -16.776 4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.576 -16.889 4.518 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.177 -17.316 2.374 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.464 -15.806 1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.440 -17.692 0.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.697 -16.897 1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.005 -18.360 2.247 1.00 0.00 H new ATOM 355 N THR A 27 0.701 -11.693 1.537 1.00 0.00 N ATOM 356 CA THR A 27 1.014 -11.504 0.131 1.00 0.00 C ATOM 357 C THR A 27 2.005 -10.352 -0.044 1.00 0.00 C ATOM 358 O THR A 27 2.215 -9.564 0.877 1.00 0.00 O ATOM 359 CB THR A 27 -0.301 -11.295 -0.622 1.00 0.00 C ATOM 360 OG1 THR A 27 -1.089 -10.508 0.267 1.00 0.00 O ATOM 361 CG2 THR A 27 -1.099 -12.591 -0.779 1.00 0.00 C ATOM 0 H THR A 27 0.288 -10.880 1.995 1.00 0.00 H new ATOM 0 HA THR A 27 1.508 -12.382 -0.286 1.00 0.00 H new ATOM 0 HB THR A 27 -0.092 -10.876 -1.606 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.960 -10.324 -0.143 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.023 -12.386 -1.320 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.507 -13.318 -1.334 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.337 -12.993 0.206 1.00 0.00 H new ATOM 369 N LYS A 28 2.587 -10.290 -1.232 1.00 0.00 N ATOM 370 CA LYS A 28 3.551 -9.247 -1.540 1.00 0.00 C ATOM 371 C LYS A 28 3.272 -8.698 -2.941 1.00 0.00 C ATOM 372 O LYS A 28 3.582 -9.347 -3.939 1.00 0.00 O ATOM 373 CB LYS A 28 4.979 -9.765 -1.356 1.00 0.00 C ATOM 374 CG LYS A 28 5.227 -11.005 -2.217 1.00 0.00 C ATOM 375 CD LYS A 28 6.393 -10.778 -3.182 1.00 0.00 C ATOM 376 CE LYS A 28 6.382 -11.814 -4.308 1.00 0.00 C ATOM 377 NZ LYS A 28 5.925 -11.199 -5.574 1.00 0.00 N ATOM 0 H LYS A 28 2.410 -10.945 -1.993 1.00 0.00 H new ATOM 0 HA LYS A 28 3.446 -8.415 -0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.690 -8.984 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.150 -10.006 -0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.442 -11.860 -1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.326 -11.247 -2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.330 -9.775 -3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.336 -10.836 -2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.382 -12.229 -4.438 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.726 -12.642 -4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.924 -11.916 -6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.963 -10.825 -5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.567 -10.424 -5.835 1.00 0.00 H new ATOM 391 N HIS A 29 2.690 -7.508 -2.970 1.00 0.00 N ATOM 392 CA HIS A 29 2.366 -6.864 -4.231 1.00 0.00 C ATOM 393 C HIS A 29 3.303 -5.676 -4.457 1.00 0.00 C ATOM 394 O HIS A 29 3.302 -4.723 -3.680 1.00 0.00 O ATOM 395 CB HIS A 29 0.888 -6.470 -4.276 1.00 0.00 C ATOM 396 CG HIS A 29 -0.060 -7.606 -3.975 1.00 0.00 C ATOM 397 ND1 HIS A 29 0.043 -8.848 -4.576 1.00 0.00 N ATOM 398 CD2 HIS A 29 -1.128 -7.675 -3.130 1.00 0.00 C ATOM 399 CE1 HIS A 29 -0.925 -9.622 -4.108 1.00 0.00 C ATOM 400 NE2 HIS A 29 -1.650 -8.893 -3.212 1.00 0.00 N ATOM 0 H HIS A 29 2.435 -6.973 -2.140 1.00 0.00 H new ATOM 0 HA HIS A 29 2.521 -7.565 -5.051 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.715 -5.667 -3.560 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.659 -6.071 -5.264 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.488 -6.875 -2.501 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.108 -10.649 -4.387 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.460 -9.228 -2.691 1.00 0.00 H new ATOM 408 N ASP A 30 4.081 -5.773 -5.525 1.00 0.00 N ATOM 409 CA ASP A 30 5.022 -4.718 -5.863 1.00 0.00 C ATOM 410 C ASP A 30 4.259 -3.529 -6.450 1.00 0.00 C ATOM 411 O ASP A 30 3.523 -3.678 -7.424 1.00 0.00 O ATOM 412 CB ASP A 30 6.031 -5.195 -6.910 1.00 0.00 C ATOM 413 CG ASP A 30 5.416 -5.739 -8.200 1.00 0.00 C ATOM 414 OD1 ASP A 30 4.802 -6.826 -8.122 1.00 0.00 O ATOM 415 OD2 ASP A 30 5.573 -5.057 -9.236 1.00 0.00 O ATOM 0 H ASP A 30 4.079 -6.565 -6.167 1.00 0.00 H new ATOM 0 HA ASP A 30 5.552 -4.435 -4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.690 -4.364 -7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.653 -5.972 -6.466 1.00 0.00 H new ATOM 420 N VAL A 31 4.460 -2.374 -5.832 1.00 0.00 N ATOM 421 CA VAL A 31 3.800 -1.160 -6.281 1.00 0.00 C ATOM 422 C VAL A 31 4.788 0.007 -6.214 1.00 0.00 C ATOM 423 O VAL A 31 5.566 0.112 -5.267 1.00 0.00 O ATOM 424 CB VAL A 31 2.533 -0.918 -5.458 1.00 0.00 C ATOM 425 CG1 VAL A 31 1.448 -1.937 -5.811 1.00 0.00 C ATOM 426 CG2 VAL A 31 2.840 -0.942 -3.959 1.00 0.00 C ATOM 0 H VAL A 31 5.071 -2.253 -5.024 1.00 0.00 H new ATOM 0 HA VAL A 31 3.483 -1.259 -7.319 1.00 0.00 H new ATOM 0 HB VAL A 31 2.156 0.074 -5.707 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.558 -1.743 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.199 -1.852 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.813 -2.943 -5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.923 -0.767 -3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.253 -1.914 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.564 -0.162 -3.723 1.00 0.00 H new ATOM 436 N LYS A 32 4.724 0.853 -7.231 1.00 0.00 N ATOM 437 CA LYS A 32 5.603 2.008 -7.300 1.00 0.00 C ATOM 438 C LYS A 32 4.778 3.283 -7.115 1.00 0.00 C ATOM 439 O LYS A 32 3.969 3.633 -7.973 1.00 0.00 O ATOM 440 CB LYS A 32 6.418 1.985 -8.595 1.00 0.00 C ATOM 441 CG LYS A 32 5.683 2.719 -9.718 1.00 0.00 C ATOM 442 CD LYS A 32 6.337 2.442 -11.073 1.00 0.00 C ATOM 443 CE LYS A 32 5.391 2.799 -12.222 1.00 0.00 C ATOM 444 NZ LYS A 32 5.697 1.982 -13.418 1.00 0.00 N ATOM 0 H LYS A 32 4.077 0.762 -8.014 1.00 0.00 H new ATOM 0 HA LYS A 32 6.333 1.980 -6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.389 2.450 -8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.606 0.953 -8.892 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.640 2.403 -9.742 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.687 3.791 -9.520 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.257 3.020 -11.162 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.614 1.390 -11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.358 2.633 -11.916 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.486 3.858 -12.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.046 2.237 -14.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.676 2.160 -13.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.584 0.974 -13.188 1.00 0.00 H new ATOM 458 N VAL A 33 5.011 3.943 -5.990 1.00 0.00 N ATOM 459 CA VAL A 33 4.299 5.172 -5.682 1.00 0.00 C ATOM 460 C VAL A 33 5.309 6.270 -5.342 1.00 0.00 C ATOM 461 O VAL A 33 6.410 5.982 -4.875 1.00 0.00 O ATOM 462 CB VAL A 33 3.287 4.924 -4.562 1.00 0.00 C ATOM 463 CG1 VAL A 33 2.625 3.552 -4.716 1.00 0.00 C ATOM 464 CG2 VAL A 33 3.944 5.065 -3.188 1.00 0.00 C ATOM 0 H VAL A 33 5.683 3.650 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 33 3.730 5.510 -6.548 1.00 0.00 H new ATOM 0 HB VAL A 33 2.508 5.683 -4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.910 3.400 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.106 3.504 -5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.387 2.774 -4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.203 4.884 -2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.752 4.340 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.346 6.072 -3.079 1.00 0.00 H new ATOM 474 N PRO A 34 4.888 7.538 -5.596 1.00 0.00 N ATOM 475 CA PRO A 34 5.743 8.680 -5.322 1.00 0.00 C ATOM 476 C PRO A 34 5.811 8.966 -3.821 1.00 0.00 C ATOM 477 O PRO A 34 4.895 8.618 -3.077 1.00 0.00 O ATOM 478 CB PRO A 34 5.138 9.824 -6.119 1.00 0.00 C ATOM 479 CG PRO A 34 3.712 9.403 -6.436 1.00 0.00 C ATOM 480 CD PRO A 34 3.591 7.916 -6.150 1.00 0.00 C ATOM 0 HA PRO A 34 6.779 8.511 -5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.153 10.751 -5.545 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.704 10.006 -7.033 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.004 9.967 -5.829 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.475 9.612 -7.479 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.785 7.713 -5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.370 7.355 -7.058 1.00 0.00 H new ATOM 488 N LEU A 35 6.904 9.598 -3.420 1.00 0.00 N ATOM 489 CA LEU A 35 7.103 9.935 -2.021 1.00 0.00 C ATOM 490 C LEU A 35 6.312 11.202 -1.689 1.00 0.00 C ATOM 491 O LEU A 35 6.282 11.636 -0.538 1.00 0.00 O ATOM 492 CB LEU A 35 8.596 10.041 -1.702 1.00 0.00 C ATOM 493 CG LEU A 35 9.072 9.281 -0.463 1.00 0.00 C ATOM 494 CD1 LEU A 35 8.737 7.792 -0.569 1.00 0.00 C ATOM 495 CD2 LEU A 35 10.564 9.516 -0.215 1.00 0.00 C ATOM 0 H LEU A 35 7.661 9.886 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 35 6.719 9.141 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.158 9.680 -2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.847 11.094 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 35 8.536 9.670 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.087 7.276 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.658 7.667 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.227 7.370 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.877 8.964 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.135 9.171 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.744 10.580 -0.063 1.00 0.00 H new ATOM 507 N ASP A 36 5.691 11.761 -2.717 1.00 0.00 N ATOM 508 CA ASP A 36 4.902 12.969 -2.549 1.00 0.00 C ATOM 509 C ASP A 36 3.499 12.594 -2.068 1.00 0.00 C ATOM 510 O ASP A 36 2.682 13.469 -1.785 1.00 0.00 O ATOM 511 CB ASP A 36 4.762 13.724 -3.873 1.00 0.00 C ATOM 512 CG ASP A 36 5.705 14.917 -4.040 1.00 0.00 C ATOM 513 OD1 ASP A 36 6.932 14.675 -4.040 1.00 0.00 O ATOM 514 OD2 ASP A 36 5.178 16.044 -4.164 1.00 0.00 O ATOM 0 H ASP A 36 5.718 11.399 -3.670 1.00 0.00 H new ATOM 0 HA ASP A 36 5.409 13.605 -1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.935 13.026 -4.692 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.735 14.076 -3.966 1.00 0.00 H new ATOM 519 N SER A 37 3.264 11.293 -1.989 1.00 0.00 N ATOM 520 CA SER A 37 1.974 10.792 -1.546 1.00 0.00 C ATOM 521 C SER A 37 1.783 11.080 -0.056 1.00 0.00 C ATOM 522 O SER A 37 2.714 10.925 0.734 1.00 0.00 O ATOM 523 CB SER A 37 1.843 9.292 -1.817 1.00 0.00 C ATOM 524 OG SER A 37 1.202 9.028 -3.062 1.00 0.00 O ATOM 0 H SER A 37 3.945 10.571 -2.224 1.00 0.00 H new ATOM 0 HA SER A 37 1.196 11.306 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.833 8.836 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.276 8.826 -1.011 1.00 0.00 H new ATOM 0 HG SER A 37 1.280 8.075 -3.274 1.00 0.00 H new ATOM 530 N THR A 38 0.572 11.495 0.284 1.00 0.00 N ATOM 531 CA THR A 38 0.248 11.807 1.666 1.00 0.00 C ATOM 532 C THR A 38 0.000 10.522 2.458 1.00 0.00 C ATOM 533 O THR A 38 -0.467 9.527 1.905 1.00 0.00 O ATOM 534 CB THR A 38 -0.948 12.762 1.667 1.00 0.00 C ATOM 535 OG1 THR A 38 -1.987 12.018 1.037 1.00 0.00 O ATOM 536 CG2 THR A 38 -0.738 13.964 0.744 1.00 0.00 C ATOM 0 H THR A 38 -0.197 11.623 -0.374 1.00 0.00 H new ATOM 0 HA THR A 38 1.080 12.304 2.165 1.00 0.00 H new ATOM 0 HB THR A 38 -1.132 13.112 2.683 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.801 12.562 0.997 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.615 14.610 0.782 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.139 14.524 1.070 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.587 13.616 -0.278 1.00 0.00 H new ATOM 544 N GLY A 39 0.323 10.584 3.742 1.00 0.00 N ATOM 545 CA GLY A 39 0.141 9.438 4.616 1.00 0.00 C ATOM 546 C GLY A 39 -1.232 8.798 4.402 1.00 0.00 C ATOM 547 O GLY A 39 -1.399 7.596 4.606 1.00 0.00 O ATOM 0 H GLY A 39 0.710 11.411 4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.923 8.703 4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.243 9.749 5.656 1.00 0.00 H new ATOM 551 N SER A 40 -2.180 9.629 3.994 1.00 0.00 N ATOM 552 CA SER A 40 -3.533 9.158 3.750 1.00 0.00 C ATOM 553 C SER A 40 -3.623 8.519 2.363 1.00 0.00 C ATOM 554 O SER A 40 -4.178 7.432 2.212 1.00 0.00 O ATOM 555 CB SER A 40 -4.543 10.300 3.874 1.00 0.00 C ATOM 556 OG SER A 40 -5.792 9.977 3.268 1.00 0.00 O ATOM 0 H SER A 40 -2.038 10.625 3.826 1.00 0.00 H new ATOM 0 HA SER A 40 -3.776 8.409 4.504 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.700 10.532 4.927 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.135 11.197 3.408 1.00 0.00 H new ATOM 0 HG SER A 40 -6.410 10.731 3.370 1.00 0.00 H new ATOM 562 N GLU A 41 -3.068 9.221 1.386 1.00 0.00 N ATOM 563 CA GLU A 41 -3.078 8.735 0.016 1.00 0.00 C ATOM 564 C GLU A 41 -2.825 7.226 -0.014 1.00 0.00 C ATOM 565 O GLU A 41 -3.373 6.518 -0.858 1.00 0.00 O ATOM 566 CB GLU A 41 -2.051 9.480 -0.838 1.00 0.00 C ATOM 567 CG GLU A 41 -2.709 10.620 -1.617 1.00 0.00 C ATOM 568 CD GLU A 41 -1.962 10.894 -2.924 1.00 0.00 C ATOM 569 OE1 GLU A 41 -0.931 11.597 -2.852 1.00 0.00 O ATOM 570 OE2 GLU A 41 -2.440 10.394 -3.966 1.00 0.00 O ATOM 0 H GLU A 41 -2.608 10.122 1.516 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.063 8.927 -0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.263 9.879 -0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.578 8.786 -1.533 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.747 10.366 -1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.723 11.522 -1.006 1.00 0.00 H new ATOM 577 N LEU A 42 -1.996 6.779 0.917 1.00 0.00 N ATOM 578 CA LEU A 42 -1.664 5.367 1.008 1.00 0.00 C ATOM 579 C LEU A 42 -2.947 4.539 0.924 1.00 0.00 C ATOM 580 O LEU A 42 -3.005 3.549 0.196 1.00 0.00 O ATOM 581 CB LEU A 42 -0.836 5.092 2.265 1.00 0.00 C ATOM 582 CG LEU A 42 0.669 4.915 2.051 1.00 0.00 C ATOM 583 CD1 LEU A 42 1.375 4.584 3.368 1.00 0.00 C ATOM 584 CD2 LEU A 42 0.951 3.869 0.971 1.00 0.00 C ATOM 0 H LEU A 42 -1.544 7.369 1.615 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.036 5.068 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.989 5.914 2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.224 4.192 2.742 1.00 0.00 H new ATOM 0 HG LEU A 42 1.077 5.862 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.443 4.463 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.216 5.394 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.969 3.658 3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.028 3.763 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.526 2.911 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.500 4.186 0.031 1.00 0.00 H new ATOM 596 N LYS A 43 -3.946 4.976 1.677 1.00 0.00 N ATOM 597 CA LYS A 43 -5.225 4.287 1.697 1.00 0.00 C ATOM 598 C LYS A 43 -5.654 3.976 0.261 1.00 0.00 C ATOM 599 O LYS A 43 -5.710 2.813 -0.135 1.00 0.00 O ATOM 600 CB LYS A 43 -6.257 5.096 2.485 1.00 0.00 C ATOM 601 CG LYS A 43 -5.945 5.073 3.983 1.00 0.00 C ATOM 602 CD LYS A 43 -6.308 3.719 4.597 1.00 0.00 C ATOM 603 CE LYS A 43 -6.426 3.823 6.119 1.00 0.00 C ATOM 604 NZ LYS A 43 -7.776 4.293 6.503 1.00 0.00 N ATOM 0 H LYS A 43 -3.895 5.799 2.278 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.136 3.334 2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.267 6.126 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.253 4.689 2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.886 5.276 4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.500 5.865 4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.251 3.367 4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.548 2.982 4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.230 2.851 6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.672 4.511 6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.708 4.885 7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.184 4.851 5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.386 3.474 6.698 1.00 0.00 H new ATOM 618 N GLN A 44 -5.945 5.036 -0.478 1.00 0.00 N ATOM 619 CA GLN A 44 -6.367 4.891 -1.861 1.00 0.00 C ATOM 620 C GLN A 44 -5.293 4.160 -2.670 1.00 0.00 C ATOM 621 O GLN A 44 -5.588 3.569 -3.708 1.00 0.00 O ATOM 622 CB GLN A 44 -6.689 6.251 -2.482 1.00 0.00 C ATOM 623 CG GLN A 44 -7.821 6.946 -1.722 1.00 0.00 C ATOM 624 CD GLN A 44 -9.170 6.698 -2.401 1.00 0.00 C ATOM 625 OE1 GLN A 44 -9.260 6.102 -3.461 1.00 0.00 O ATOM 626 NE2 GLN A 44 -10.210 7.187 -1.731 1.00 0.00 N ATOM 0 H GLN A 44 -5.897 5.999 -0.145 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.279 4.294 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.799 6.880 -2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.974 6.120 -3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.853 6.580 -0.696 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.626 8.017 -1.672 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.063 7.676 -0.848 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.154 7.073 -2.100 1.00 0.00 H new ATOM 635 N LYS A 45 -4.071 4.223 -2.163 1.00 0.00 N ATOM 636 CA LYS A 45 -2.952 3.574 -2.825 1.00 0.00 C ATOM 637 C LYS A 45 -3.022 2.066 -2.576 1.00 0.00 C ATOM 638 O LYS A 45 -2.622 1.274 -3.427 1.00 0.00 O ATOM 639 CB LYS A 45 -1.630 4.208 -2.387 1.00 0.00 C ATOM 640 CG LYS A 45 -0.857 4.751 -3.591 1.00 0.00 C ATOM 641 CD LYS A 45 -1.735 5.680 -4.432 1.00 0.00 C ATOM 642 CE LYS A 45 -1.005 6.987 -4.749 1.00 0.00 C ATOM 643 NZ LYS A 45 -1.783 7.794 -5.715 1.00 0.00 N ATOM 0 H LYS A 45 -3.831 4.713 -1.301 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.009 3.723 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.826 5.016 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.023 3.468 -1.864 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.026 5.291 -3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.505 3.922 -4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.014 5.181 -5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.659 5.896 -3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.851 7.556 -3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.019 6.769 -5.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.198 7.992 -6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.632 7.267 -6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.066 8.690 -5.270 1.00 0.00 H new ATOM 657 N ILE A 46 -3.535 1.715 -1.406 1.00 0.00 N ATOM 658 CA ILE A 46 -3.663 0.316 -1.035 1.00 0.00 C ATOM 659 C ILE A 46 -5.027 -0.206 -1.491 1.00 0.00 C ATOM 660 O ILE A 46 -5.120 -1.285 -2.074 1.00 0.00 O ATOM 661 CB ILE A 46 -3.404 0.132 0.462 1.00 0.00 C ATOM 662 CG1 ILE A 46 -2.134 0.870 0.893 1.00 0.00 C ATOM 663 CG2 ILE A 46 -3.359 -1.351 0.833 1.00 0.00 C ATOM 664 CD1 ILE A 46 -2.329 1.548 2.250 1.00 0.00 C ATOM 0 H ILE A 46 -3.867 2.375 -0.703 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.906 -0.282 -1.542 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.236 0.575 1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.302 0.168 0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.871 1.617 0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.174 -1.453 1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.312 -1.817 0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.559 -1.841 0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.412 2.065 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.146 2.267 2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.568 0.796 3.002 1.00 0.00 H new ATOM 676 N HIS A 47 -6.052 0.585 -1.208 1.00 0.00 N ATOM 677 CA HIS A 47 -7.407 0.217 -1.582 1.00 0.00 C ATOM 678 C HIS A 47 -7.471 -0.042 -3.088 1.00 0.00 C ATOM 679 O HIS A 47 -8.211 -0.915 -3.541 1.00 0.00 O ATOM 680 CB HIS A 47 -8.406 1.280 -1.120 1.00 0.00 C ATOM 681 CG HIS A 47 -9.592 1.448 -2.039 1.00 0.00 C ATOM 682 ND1 HIS A 47 -9.689 2.479 -2.957 1.00 0.00 N ATOM 683 CD2 HIS A 47 -10.729 0.706 -2.172 1.00 0.00 C ATOM 684 CE1 HIS A 47 -10.837 2.354 -3.607 1.00 0.00 C ATOM 685 NE2 HIS A 47 -11.480 1.254 -3.119 1.00 0.00 N ATOM 0 H HIS A 47 -5.971 1.479 -0.724 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.689 -0.707 -1.077 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.765 1.019 -0.125 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -7.889 2.236 -1.032 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -10.976 -0.178 -1.603 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -11.200 3.008 -4.386 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -12.388 0.910 -3.431 1.00 0.00 H new ATOM 693 N SER A 48 -6.686 0.731 -3.824 1.00 0.00 N ATOM 694 CA SER A 48 -6.644 0.596 -5.270 1.00 0.00 C ATOM 695 C SER A 48 -6.175 -0.809 -5.651 1.00 0.00 C ATOM 696 O SER A 48 -6.373 -1.248 -6.783 1.00 0.00 O ATOM 697 CB SER A 48 -5.727 1.650 -5.895 1.00 0.00 C ATOM 698 OG SER A 48 -6.438 2.832 -6.253 1.00 0.00 O ATOM 0 H SER A 48 -6.074 1.454 -3.446 1.00 0.00 H new ATOM 0 HA SER A 48 -7.650 0.753 -5.658 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.934 1.903 -5.192 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.247 1.234 -6.781 1.00 0.00 H new ATOM 0 HG SER A 48 -6.393 3.477 -5.516 1.00 0.00 H new ATOM 704 N ILE A 49 -5.563 -1.477 -4.684 1.00 0.00 N ATOM 705 CA ILE A 49 -5.064 -2.824 -4.904 1.00 0.00 C ATOM 706 C ILE A 49 -5.866 -3.806 -4.047 1.00 0.00 C ATOM 707 O ILE A 49 -6.505 -4.716 -4.573 1.00 0.00 O ATOM 708 CB ILE A 49 -3.555 -2.883 -4.658 1.00 0.00 C ATOM 709 CG1 ILE A 49 -2.896 -1.538 -4.969 1.00 0.00 C ATOM 710 CG2 ILE A 49 -2.917 -4.030 -5.444 1.00 0.00 C ATOM 711 CD1 ILE A 49 -1.404 -1.567 -4.629 1.00 0.00 C ATOM 0 H ILE A 49 -5.401 -1.110 -3.746 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.206 -3.118 -5.944 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.388 -3.086 -3.600 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.028 -1.300 -6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.387 -0.748 -4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.844 -4.050 -5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.360 -4.976 -5.131 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.092 -3.882 -6.510 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.959 -0.599 -4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.277 -1.781 -3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.912 -2.342 -5.217 1.00 0.00 H new ATOM 723 N THR A 50 -5.805 -3.588 -2.741 1.00 0.00 N ATOM 724 CA THR A 50 -6.518 -4.443 -1.807 1.00 0.00 C ATOM 725 C THR A 50 -8.003 -4.508 -2.169 1.00 0.00 C ATOM 726 O THR A 50 -8.649 -5.535 -1.970 1.00 0.00 O ATOM 727 CB THR A 50 -6.259 -3.917 -0.393 1.00 0.00 C ATOM 728 OG1 THR A 50 -6.487 -2.514 -0.498 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.788 -4.026 0.012 1.00 0.00 C ATOM 0 H THR A 50 -5.273 -2.833 -2.308 1.00 0.00 H new ATOM 0 HA THR A 50 -6.159 -5.471 -1.858 1.00 0.00 H new ATOM 0 HB THR A 50 -6.873 -4.470 0.318 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.402 -2.238 -1.435 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.659 -3.639 1.023 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.478 -5.071 -0.019 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.176 -3.446 -0.679 1.00 0.00 H new ATOM 737 N GLY A 51 -8.500 -3.398 -2.693 1.00 0.00 N ATOM 738 CA GLY A 51 -9.897 -3.315 -3.084 1.00 0.00 C ATOM 739 C GLY A 51 -10.809 -3.280 -1.857 1.00 0.00 C ATOM 740 O GLY A 51 -12.033 -3.290 -1.987 1.00 0.00 O ATOM 0 H GLY A 51 -7.960 -2.548 -2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.057 -2.421 -3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.155 -4.170 -3.709 1.00 0.00 H new ATOM 744 N LEU A 52 -10.179 -3.241 -0.692 1.00 0.00 N ATOM 745 CA LEU A 52 -10.919 -3.204 0.558 1.00 0.00 C ATOM 746 C LEU A 52 -11.113 -1.749 0.989 1.00 0.00 C ATOM 747 O LEU A 52 -10.483 -0.846 0.440 1.00 0.00 O ATOM 748 CB LEU A 52 -10.230 -4.071 1.614 1.00 0.00 C ATOM 749 CG LEU A 52 -9.377 -3.324 2.642 1.00 0.00 C ATOM 750 CD1 LEU A 52 -9.457 -3.999 4.013 1.00 0.00 C ATOM 751 CD2 LEU A 52 -7.934 -3.180 2.157 1.00 0.00 C ATOM 0 H LEU A 52 -9.164 -3.234 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.912 -3.632 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.995 -4.636 2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.596 -4.796 1.103 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.780 -2.317 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.842 -3.449 4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.492 -4.006 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.094 -5.024 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.350 -2.646 2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.503 -4.169 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.919 -2.623 1.220 1.00 0.00 H new ATOM 763 N PRO A 53 -12.012 -1.561 1.993 1.00 0.00 N ATOM 764 CA PRO A 53 -12.297 -0.231 2.503 1.00 0.00 C ATOM 765 C PRO A 53 -11.153 0.275 3.385 1.00 0.00 C ATOM 766 O PRO A 53 -10.478 -0.514 4.045 1.00 0.00 O ATOM 767 CB PRO A 53 -13.610 -0.372 3.255 1.00 0.00 C ATOM 768 CG PRO A 53 -13.774 -1.857 3.534 1.00 0.00 C ATOM 769 CD PRO A 53 -12.776 -2.607 2.666 1.00 0.00 C ATOM 0 HA PRO A 53 -12.384 0.514 1.712 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.592 0.200 4.183 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.442 0.008 2.662 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.598 -2.069 4.589 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.791 -2.178 3.310 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.129 -3.245 3.268 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.282 -3.252 1.948 1.00 0.00 H new ATOM 777 N PRO A 54 -10.967 1.622 3.367 1.00 0.00 N ATOM 778 CA PRO A 54 -9.917 2.242 4.157 1.00 0.00 C ATOM 779 C PRO A 54 -10.295 2.279 5.639 1.00 0.00 C ATOM 780 O PRO A 54 -9.427 2.198 6.507 1.00 0.00 O ATOM 781 CB PRO A 54 -9.737 3.626 3.555 1.00 0.00 C ATOM 782 CG PRO A 54 -11.002 3.901 2.758 1.00 0.00 C ATOM 783 CD PRO A 54 -11.747 2.586 2.597 1.00 0.00 C ATOM 0 HA PRO A 54 -8.981 1.684 4.125 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.595 4.375 4.334 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.856 3.662 2.914 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.626 4.632 3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.755 4.322 1.783 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.767 2.660 2.973 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.814 2.294 1.549 1.00 0.00 H new ATOM 791 N ALA A 55 -11.591 2.401 5.883 1.00 0.00 N ATOM 792 CA ALA A 55 -12.095 2.450 7.245 1.00 0.00 C ATOM 793 C ALA A 55 -11.666 1.184 7.989 1.00 0.00 C ATOM 794 O ALA A 55 -11.447 1.214 9.199 1.00 0.00 O ATOM 795 CB ALA A 55 -13.615 2.625 7.222 1.00 0.00 C ATOM 0 H ALA A 55 -12.308 2.467 5.160 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.677 3.304 7.778 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.993 2.662 8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.867 3.553 6.709 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.070 1.785 6.697 1.00 0.00 H new ATOM 801 N MET A 56 -11.558 0.100 7.234 1.00 0.00 N ATOM 802 CA MET A 56 -11.159 -1.174 7.806 1.00 0.00 C ATOM 803 C MET A 56 -9.711 -1.509 7.442 1.00 0.00 C ATOM 804 O MET A 56 -9.357 -2.679 7.305 1.00 0.00 O ATOM 805 CB MET A 56 -12.084 -2.278 7.290 1.00 0.00 C ATOM 806 CG MET A 56 -13.150 -2.631 8.330 1.00 0.00 C ATOM 807 SD MET A 56 -13.771 -4.277 8.033 1.00 0.00 S ATOM 808 CE MET A 56 -14.054 -4.810 9.713 1.00 0.00 C ATOM 0 H MET A 56 -11.740 0.078 6.231 1.00 0.00 H new ATOM 0 HA MET A 56 -11.234 -1.103 8.891 1.00 0.00 H new ATOM 0 HB2 MET A 56 -12.565 -1.953 6.367 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.498 -3.165 7.049 1.00 0.00 H new ATOM 0 HG2 MET A 56 -12.727 -2.569 9.332 1.00 0.00 H new ATOM 0 HG3 MET A 56 -13.967 -1.911 8.284 1.00 0.00 H new ATOM 0 HE1 MET A 56 -14.446 -5.827 9.711 1.00 0.00 H new ATOM 0 HE2 MET A 56 -13.115 -4.784 10.266 1.00 0.00 H new ATOM 0 HE3 MET A 56 -14.774 -4.145 10.189 1.00 0.00 H new ATOM 818 N GLN A 57 -8.914 -0.461 7.295 1.00 0.00 N ATOM 819 CA GLN A 57 -7.513 -0.630 6.949 1.00 0.00 C ATOM 820 C GLN A 57 -6.623 -0.208 8.120 1.00 0.00 C ATOM 821 O GLN A 57 -7.004 0.647 8.918 1.00 0.00 O ATOM 822 CB GLN A 57 -7.162 0.155 5.683 1.00 0.00 C ATOM 823 CG GLN A 57 -7.256 -0.736 4.443 1.00 0.00 C ATOM 824 CD GLN A 57 -6.369 -0.202 3.316 1.00 0.00 C ATOM 825 OE1 GLN A 57 -5.184 0.036 3.484 1.00 0.00 O ATOM 826 NE2 GLN A 57 -7.006 -0.027 2.162 1.00 0.00 N ATOM 0 H GLN A 57 -9.212 0.508 7.409 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.334 -1.685 6.744 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.838 1.004 5.578 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.153 0.559 5.769 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.955 -1.752 4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.291 -0.786 4.104 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.000 -0.246 2.090 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.501 0.326 1.349 1.00 0.00 H new ATOM 835 N LYS A 58 -5.453 -0.828 8.186 1.00 0.00 N ATOM 836 CA LYS A 58 -4.506 -0.527 9.246 1.00 0.00 C ATOM 837 C LYS A 58 -3.175 -0.095 8.627 1.00 0.00 C ATOM 838 O LYS A 58 -2.319 -0.931 8.340 1.00 0.00 O ATOM 839 CB LYS A 58 -4.382 -1.713 10.205 1.00 0.00 C ATOM 840 CG LYS A 58 -5.187 -1.470 11.483 1.00 0.00 C ATOM 841 CD LYS A 58 -4.299 -0.901 12.591 1.00 0.00 C ATOM 842 CE LYS A 58 -4.085 -1.930 13.704 1.00 0.00 C ATOM 843 NZ LYS A 58 -5.252 -1.962 14.612 1.00 0.00 N ATOM 0 H LYS A 58 -5.140 -1.537 7.523 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.862 0.307 9.851 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.736 -2.620 9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.334 -1.874 10.456 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.004 -0.779 11.276 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.637 -2.405 11.817 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.336 -0.605 12.174 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.757 -0.003 13.004 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.928 -2.917 13.269 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.185 -1.683 14.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.090 -2.665 15.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.384 -1.024 15.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.104 -2.220 14.074 1.00 0.00 H new ATOM 857 N VAL A 59 -3.043 1.210 8.439 1.00 0.00 N ATOM 858 CA VAL A 59 -1.830 1.763 7.859 1.00 0.00 C ATOM 859 C VAL A 59 -0.771 1.916 8.952 1.00 0.00 C ATOM 860 O VAL A 59 -0.833 2.845 9.756 1.00 0.00 O ATOM 861 CB VAL A 59 -2.146 3.078 7.144 1.00 0.00 C ATOM 862 CG1 VAL A 59 -1.113 3.370 6.053 1.00 0.00 C ATOM 863 CG2 VAL A 59 -3.563 3.063 6.567 1.00 0.00 C ATOM 0 H VAL A 59 -3.755 1.900 8.678 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.424 1.088 7.106 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.093 3.880 7.880 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.360 4.310 5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.122 3.445 6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.120 2.563 5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.761 4.010 6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.656 2.246 5.852 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.283 2.923 7.373 1.00 0.00 H new ATOM 873 N MET A 60 0.177 0.990 8.947 1.00 0.00 N ATOM 874 CA MET A 60 1.248 1.010 9.929 1.00 0.00 C ATOM 875 C MET A 60 2.529 0.402 9.354 1.00 0.00 C ATOM 876 O MET A 60 2.541 -0.758 8.945 1.00 0.00 O ATOM 877 CB MET A 60 0.820 0.222 11.168 1.00 0.00 C ATOM 878 CG MET A 60 0.319 1.160 12.268 1.00 0.00 C ATOM 879 SD MET A 60 0.409 0.345 13.854 1.00 0.00 S ATOM 880 CE MET A 60 2.177 0.147 14.001 1.00 0.00 C ATOM 0 H MET A 60 0.226 0.221 8.278 1.00 0.00 H new ATOM 0 HA MET A 60 1.449 2.047 10.199 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.033 -0.484 10.901 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.661 -0.364 11.539 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.919 2.070 12.283 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.709 1.460 12.062 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.470 0.257 15.045 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.463 -0.843 13.646 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.679 0.906 13.401 1.00 0.00 H new ATOM 890 N TYR A 61 3.577 1.213 9.342 1.00 0.00 N ATOM 891 CA TYR A 61 4.860 0.769 8.825 1.00 0.00 C ATOM 892 C TYR A 61 5.976 1.012 9.844 1.00 0.00 C ATOM 893 O TYR A 61 6.417 2.145 10.029 1.00 0.00 O ATOM 894 CB TYR A 61 5.129 1.618 7.581 1.00 0.00 C ATOM 895 CG TYR A 61 6.604 1.678 7.176 1.00 0.00 C ATOM 896 CD1 TYR A 61 7.430 0.599 7.415 1.00 0.00 C ATOM 897 CD2 TYR A 61 7.107 2.812 6.571 1.00 0.00 C ATOM 898 CE1 TYR A 61 8.817 0.656 7.034 1.00 0.00 C ATOM 899 CE2 TYR A 61 8.495 2.869 6.190 1.00 0.00 C ATOM 900 CZ TYR A 61 9.281 1.789 6.440 1.00 0.00 C ATOM 901 OH TYR A 61 10.592 1.842 6.080 1.00 0.00 O ATOM 0 H TYR A 61 3.564 2.175 9.682 1.00 0.00 H new ATOM 0 HA TYR A 61 4.837 -0.299 8.607 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.550 1.218 6.748 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.771 2.632 7.761 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.036 -0.288 7.888 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.460 3.656 6.383 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.474 -0.181 7.215 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.902 3.750 5.716 1.00 0.00 H new ATOM 0 HH TYR A 61 10.783 2.710 5.666 1.00 0.00 H new ATOM 911 N LYS A 62 6.400 -0.072 10.478 1.00 0.00 N ATOM 912 CA LYS A 62 7.456 0.009 11.473 1.00 0.00 C ATOM 913 C LYS A 62 7.194 1.205 12.392 1.00 0.00 C ATOM 914 O LYS A 62 8.127 1.773 12.957 1.00 0.00 O ATOM 915 CB LYS A 62 8.828 0.041 10.798 1.00 0.00 C ATOM 916 CG LYS A 62 9.409 -1.369 10.670 1.00 0.00 C ATOM 917 CD LYS A 62 10.935 -1.344 10.775 1.00 0.00 C ATOM 918 CE LYS A 62 11.583 -1.649 9.423 1.00 0.00 C ATOM 919 NZ LYS A 62 12.651 -0.668 9.127 1.00 0.00 N ATOM 0 H LYS A 62 6.032 -1.010 10.322 1.00 0.00 H new ATOM 0 HA LYS A 62 7.457 -0.882 12.101 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.741 0.493 9.810 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.507 0.667 11.376 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.997 -2.008 11.451 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.114 -1.803 9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.263 -0.366 11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.264 -2.075 11.513 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.999 -2.657 9.431 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.828 -1.622 8.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.080 -0.889 8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.245 0.289 9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.379 -0.713 9.868 1.00 0.00 H new ATOM 933 N GLY A 63 5.921 1.550 12.512 1.00 0.00 N ATOM 934 CA GLY A 63 5.525 2.668 13.352 1.00 0.00 C ATOM 935 C GLY A 63 4.260 3.339 12.812 1.00 0.00 C ATOM 936 O GLY A 63 3.887 3.131 11.659 1.00 0.00 O ATOM 0 H GLY A 63 5.150 1.075 12.042 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.350 2.319 14.369 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.335 3.396 13.400 1.00 0.00 H new ATOM 940 N LEU A 64 3.636 4.130 13.672 1.00 0.00 N ATOM 941 CA LEU A 64 2.420 4.832 13.296 1.00 0.00 C ATOM 942 C LEU A 64 2.717 5.760 12.116 1.00 0.00 C ATOM 943 O LEU A 64 3.776 6.383 12.063 1.00 0.00 O ATOM 944 CB LEU A 64 1.820 5.550 14.507 1.00 0.00 C ATOM 945 CG LEU A 64 1.045 4.671 15.491 1.00 0.00 C ATOM 946 CD1 LEU A 64 -0.418 4.532 15.067 1.00 0.00 C ATOM 947 CD2 LEU A 64 1.724 3.311 15.664 1.00 0.00 C ATOM 0 H LEU A 64 3.949 4.301 14.628 1.00 0.00 H new ATOM 0 HA LEU A 64 1.659 4.126 12.964 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.627 6.043 15.049 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.153 6.333 14.147 1.00 0.00 H new ATOM 0 HG LEU A 64 1.052 5.160 16.465 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.946 3.903 15.783 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.883 5.517 15.037 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.468 4.077 14.078 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.153 2.706 16.368 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.769 2.802 14.701 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.735 3.455 16.046 1.00 0.00 H new ATOM 959 N VAL A 65 1.763 5.821 11.199 1.00 0.00 N ATOM 960 CA VAL A 65 1.909 6.662 10.023 1.00 0.00 C ATOM 961 C VAL A 65 0.960 7.857 10.135 1.00 0.00 C ATOM 962 O VAL A 65 -0.257 7.697 10.064 1.00 0.00 O ATOM 963 CB VAL A 65 1.681 5.835 8.756 1.00 0.00 C ATOM 964 CG1 VAL A 65 1.350 6.736 7.565 1.00 0.00 C ATOM 965 CG2 VAL A 65 2.891 4.949 8.455 1.00 0.00 C ATOM 0 H VAL A 65 0.886 5.302 11.246 1.00 0.00 H new ATOM 0 HA VAL A 65 2.923 7.056 9.960 1.00 0.00 H new ATOM 0 HB VAL A 65 0.825 5.184 8.930 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.193 6.123 6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.445 7.304 7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.177 7.424 7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.703 4.372 7.550 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.772 5.574 8.311 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.061 4.269 9.290 1.00 0.00 H new ATOM 975 N PRO A 66 1.570 9.060 10.313 1.00 0.00 N ATOM 976 CA PRO A 66 0.793 10.282 10.436 1.00 0.00 C ATOM 977 C PRO A 66 0.244 10.722 9.077 1.00 0.00 C ATOM 978 O PRO A 66 0.993 11.202 8.227 1.00 0.00 O ATOM 979 CB PRO A 66 1.746 11.295 11.048 1.00 0.00 C ATOM 980 CG PRO A 66 3.144 10.744 10.816 1.00 0.00 C ATOM 981 CD PRO A 66 3.009 9.288 10.402 1.00 0.00 C ATOM 0 HA PRO A 66 -0.090 10.157 11.063 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.629 12.273 10.581 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.548 11.424 12.112 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.656 11.315 10.041 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.743 10.829 11.723 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.499 9.101 9.447 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.471 8.624 11.133 1.00 0.00 H new ATOM 989 N GLU A 67 -1.058 10.542 8.914 1.00 0.00 N ATOM 990 CA GLU A 67 -1.715 10.915 7.673 1.00 0.00 C ATOM 991 C GLU A 67 -1.538 12.411 7.406 1.00 0.00 C ATOM 992 O GLU A 67 -1.673 12.863 6.270 1.00 0.00 O ATOM 993 CB GLU A 67 -3.197 10.535 7.701 1.00 0.00 C ATOM 994 CG GLU A 67 -3.374 9.035 7.946 1.00 0.00 C ATOM 995 CD GLU A 67 -4.769 8.571 7.522 1.00 0.00 C ATOM 996 OE1 GLU A 67 -5.261 9.108 6.506 1.00 0.00 O ATOM 997 OE2 GLU A 67 -5.312 7.691 8.224 1.00 0.00 O ATOM 0 H GLU A 67 -1.676 10.143 9.621 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.247 10.363 6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.706 11.097 8.484 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.665 10.810 6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.618 8.480 7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.219 8.815 9.002 1.00 0.00 H new ATOM 1004 N ASP A 68 -1.238 13.138 8.473 1.00 0.00 N ATOM 1005 CA ASP A 68 -1.040 14.573 8.368 1.00 0.00 C ATOM 1006 C ASP A 68 0.306 14.851 7.696 1.00 0.00 C ATOM 1007 O ASP A 68 0.572 15.975 7.272 1.00 0.00 O ATOM 1008 CB ASP A 68 -1.022 15.229 9.751 1.00 0.00 C ATOM 1009 CG ASP A 68 -2.341 15.878 10.176 1.00 0.00 C ATOM 1010 OD1 ASP A 68 -3.106 16.259 9.264 1.00 0.00 O ATOM 1011 OD2 ASP A 68 -2.555 15.977 11.403 1.00 0.00 O ATOM 0 H ASP A 68 -1.127 12.760 9.414 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.863 14.985 7.783 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.750 14.476 10.490 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.240 15.988 9.767 1.00 0.00 H new ATOM 1016 N LYS A 69 1.119 13.808 7.620 1.00 0.00 N ATOM 1017 CA LYS A 69 2.431 13.926 7.006 1.00 0.00 C ATOM 1018 C LYS A 69 2.551 12.908 5.870 1.00 0.00 C ATOM 1019 O LYS A 69 2.006 11.809 5.956 1.00 0.00 O ATOM 1020 CB LYS A 69 3.530 13.801 8.063 1.00 0.00 C ATOM 1021 CG LYS A 69 3.406 14.903 9.117 1.00 0.00 C ATOM 1022 CD LYS A 69 4.515 15.945 8.954 1.00 0.00 C ATOM 1023 CE LYS A 69 5.576 15.791 10.046 1.00 0.00 C ATOM 1024 NZ LYS A 69 6.516 16.934 10.020 1.00 0.00 N ATOM 0 H LYS A 69 0.895 12.878 7.973 1.00 0.00 H new ATOM 0 HA LYS A 69 2.557 14.914 6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.468 12.825 8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.508 13.859 7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.433 15.386 9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.457 14.465 10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.979 15.838 7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.087 16.947 8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.095 15.730 11.022 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.123 14.859 9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.229 16.814 10.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.988 16.974 9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.992 17.818 10.181 1.00 0.00 H new ATOM 1038 N THR A 70 3.269 13.310 4.832 1.00 0.00 N ATOM 1039 CA THR A 70 3.468 12.446 3.680 1.00 0.00 C ATOM 1040 C THR A 70 4.522 11.381 3.988 1.00 0.00 C ATOM 1041 O THR A 70 5.281 11.512 4.947 1.00 0.00 O ATOM 1042 CB THR A 70 3.829 13.329 2.484 1.00 0.00 C ATOM 1043 OG1 THR A 70 5.025 13.989 2.887 1.00 0.00 O ATOM 1044 CG2 THR A 70 2.828 14.467 2.273 1.00 0.00 C ATOM 0 H THR A 70 3.720 14.222 4.764 1.00 0.00 H new ATOM 0 HA THR A 70 2.558 11.897 3.435 1.00 0.00 H new ATOM 0 HB THR A 70 3.878 12.717 1.583 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.330 14.581 2.168 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.131 15.063 1.412 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.836 14.051 2.096 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.803 15.099 3.161 1.00 0.00 H new ATOM 1052 N LEU A 71 4.535 10.349 3.157 1.00 0.00 N ATOM 1053 CA LEU A 71 5.483 9.262 3.328 1.00 0.00 C ATOM 1054 C LEU A 71 6.890 9.839 3.496 1.00 0.00 C ATOM 1055 O LEU A 71 7.569 9.554 4.481 1.00 0.00 O ATOM 1056 CB LEU A 71 5.363 8.260 2.178 1.00 0.00 C ATOM 1057 CG LEU A 71 3.982 7.631 1.978 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.690 7.411 0.493 1.00 0.00 C ATOM 1059 CD2 LEU A 71 3.846 6.339 2.787 1.00 0.00 C ATOM 0 H LEU A 71 3.904 10.243 2.363 1.00 0.00 H new ATOM 0 HA LEU A 71 5.258 8.700 4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.649 8.762 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.085 7.460 2.343 1.00 0.00 H new ATOM 0 HG LEU A 71 3.232 8.327 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.703 6.963 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.717 8.368 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.442 6.745 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.856 5.912 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.605 5.626 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.980 6.557 3.846 1.00 0.00 H new ATOM 1071 N ARG A 72 7.287 10.641 2.518 1.00 0.00 N ATOM 1072 CA ARG A 72 8.601 11.260 2.545 1.00 0.00 C ATOM 1073 C ARG A 72 8.792 12.042 3.846 1.00 0.00 C ATOM 1074 O ARG A 72 9.921 12.331 4.240 1.00 0.00 O ATOM 1075 CB ARG A 72 8.787 12.207 1.357 1.00 0.00 C ATOM 1076 CG ARG A 72 10.196 12.805 1.349 1.00 0.00 C ATOM 1077 CD ARG A 72 10.142 14.334 1.381 1.00 0.00 C ATOM 1078 NE ARG A 72 10.665 14.885 0.111 1.00 0.00 N ATOM 1079 CZ ARG A 72 10.631 16.185 -0.215 1.00 0.00 C ATOM 1080 NH1 ARG A 72 10.097 17.074 0.633 1.00 0.00 N ATOM 1081 NH2 ARG A 72 11.129 16.594 -1.389 1.00 0.00 N ATOM 0 H ARG A 72 6.721 10.876 1.702 1.00 0.00 H new ATOM 0 HA ARG A 72 9.344 10.465 2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.611 11.668 0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.048 13.007 1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.755 12.439 2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.730 12.475 0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.116 14.667 1.536 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.729 14.710 2.219 1.00 0.00 H new ATOM 0 HE ARG A 72 11.077 14.235 -0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.716 16.762 1.526 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.071 18.063 0.385 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.534 15.916 -2.035 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.103 17.583 -1.637 1.00 0.00 H new ATOM 1095 N GLU A 73 7.672 12.362 4.477 1.00 0.00 N ATOM 1096 CA GLU A 73 7.702 13.104 5.726 1.00 0.00 C ATOM 1097 C GLU A 73 7.660 12.143 6.916 1.00 0.00 C ATOM 1098 O GLU A 73 8.251 12.416 7.960 1.00 0.00 O ATOM 1099 CB GLU A 73 6.553 14.111 5.793 1.00 0.00 C ATOM 1100 CG GLU A 73 6.881 15.373 4.994 1.00 0.00 C ATOM 1101 CD GLU A 73 5.822 16.455 5.216 1.00 0.00 C ATOM 1102 OE1 GLU A 73 4.634 16.141 4.990 1.00 0.00 O ATOM 1103 OE2 GLU A 73 6.225 17.572 5.608 1.00 0.00 O ATOM 0 H GLU A 73 6.738 12.121 4.147 1.00 0.00 H new ATOM 0 HA GLU A 73 8.636 13.665 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.643 13.656 5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.357 14.375 6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.859 15.751 5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.941 15.130 3.933 1.00 0.00 H new ATOM 1110 N ILE A 74 6.956 11.039 6.719 1.00 0.00 N ATOM 1111 CA ILE A 74 6.829 10.036 7.763 1.00 0.00 C ATOM 1112 C ILE A 74 8.105 9.193 7.812 1.00 0.00 C ATOM 1113 O ILE A 74 8.218 8.278 8.626 1.00 0.00 O ATOM 1114 CB ILE A 74 5.556 9.212 7.562 1.00 0.00 C ATOM 1115 CG1 ILE A 74 5.818 8.010 6.653 1.00 0.00 C ATOM 1116 CG2 ILE A 74 4.413 10.086 7.041 1.00 0.00 C ATOM 1117 CD1 ILE A 74 6.089 6.748 7.476 1.00 0.00 C ATOM 0 H ILE A 74 6.467 10.816 5.852 1.00 0.00 H new ATOM 0 HA ILE A 74 6.723 10.512 8.738 1.00 0.00 H new ATOM 0 HB ILE A 74 5.246 8.821 8.531 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.958 7.847 6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.671 8.217 6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.520 9.475 6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.205 10.880 7.759 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.698 10.526 6.086 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.272 5.909 6.805 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.964 6.906 8.107 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.224 6.530 8.103 1.00 0.00 H new ATOM 1129 N LYS A 75 9.035 9.533 6.932 1.00 0.00 N ATOM 1130 CA LYS A 75 10.299 8.819 6.865 1.00 0.00 C ATOM 1131 C LYS A 75 10.093 7.494 6.129 1.00 0.00 C ATOM 1132 O LYS A 75 10.057 6.433 6.751 1.00 0.00 O ATOM 1133 CB LYS A 75 10.899 8.659 8.264 1.00 0.00 C ATOM 1134 CG LYS A 75 10.821 9.971 9.047 1.00 0.00 C ATOM 1135 CD LYS A 75 11.001 9.726 10.546 1.00 0.00 C ATOM 1136 CE LYS A 75 10.551 10.941 11.359 1.00 0.00 C ATOM 1137 NZ LYS A 75 11.526 11.238 12.432 1.00 0.00 N ATOM 0 H LYS A 75 8.939 10.294 6.259 1.00 0.00 H new ATOM 0 HA LYS A 75 11.030 9.391 6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.367 7.876 8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.938 8.340 8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.590 10.657 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.859 10.450 8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.426 8.850 10.846 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.048 9.509 10.759 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.448 11.806 10.704 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.570 10.752 11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.205 12.066 12.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.604 10.418 13.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.455 11.440 12.011 1.00 0.00 H new ATOM 1151 N VAL A 76 9.964 7.598 4.814 1.00 0.00 N ATOM 1152 CA VAL A 76 9.763 6.421 3.986 1.00 0.00 C ATOM 1153 C VAL A 76 10.935 6.281 3.012 1.00 0.00 C ATOM 1154 O VAL A 76 11.587 7.268 2.675 1.00 0.00 O ATOM 1155 CB VAL A 76 8.407 6.502 3.282 1.00 0.00 C ATOM 1156 CG1 VAL A 76 8.361 5.568 2.072 1.00 0.00 C ATOM 1157 CG2 VAL A 76 7.265 6.196 4.254 1.00 0.00 C ATOM 0 H VAL A 76 9.995 8.479 4.302 1.00 0.00 H new ATOM 0 HA VAL A 76 9.742 5.521 4.601 1.00 0.00 H new ATOM 0 HB VAL A 76 8.277 7.523 2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.386 5.645 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.140 5.851 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.524 4.541 2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.312 6.260 3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.390 5.191 4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.278 6.918 5.070 1.00 0.00 H new ATOM 1167 N THR A 77 11.166 5.047 2.588 1.00 0.00 N ATOM 1168 CA THR A 77 12.247 4.766 1.660 1.00 0.00 C ATOM 1169 C THR A 77 11.815 3.708 0.643 1.00 0.00 C ATOM 1170 O THR A 77 10.652 3.308 0.613 1.00 0.00 O ATOM 1171 CB THR A 77 13.476 4.359 2.475 1.00 0.00 C ATOM 1172 OG1 THR A 77 12.944 3.563 3.531 1.00 0.00 O ATOM 1173 CG2 THR A 77 14.123 5.545 3.192 1.00 0.00 C ATOM 0 H THR A 77 10.623 4.231 2.870 1.00 0.00 H new ATOM 0 HA THR A 77 12.505 5.648 1.074 1.00 0.00 H new ATOM 0 HB THR A 77 14.208 3.890 1.818 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.674 3.255 4.108 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.990 5.201 3.755 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.438 6.286 2.458 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.402 5.995 3.875 1.00 0.00 H new ATOM 1181 N SER A 78 12.775 3.285 -0.167 1.00 0.00 N ATOM 1182 CA SER A 78 12.508 2.281 -1.183 1.00 0.00 C ATOM 1183 C SER A 78 12.618 0.880 -0.577 1.00 0.00 C ATOM 1184 O SER A 78 13.718 0.401 -0.307 1.00 0.00 O ATOM 1185 CB SER A 78 13.469 2.424 -2.365 1.00 0.00 C ATOM 1186 OG SER A 78 12.805 2.268 -3.616 1.00 0.00 O ATOM 0 H SER A 78 13.738 3.619 -0.140 1.00 0.00 H new ATOM 0 HA SER A 78 11.494 2.431 -1.553 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.946 3.403 -2.328 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.261 1.680 -2.280 1.00 0.00 H new ATOM 0 HG SER A 78 13.453 2.368 -4.345 1.00 0.00 H new ATOM 1192 N GLY A 79 11.462 0.263 -0.381 1.00 0.00 N ATOM 1193 CA GLY A 79 11.414 -1.073 0.189 1.00 0.00 C ATOM 1194 C GLY A 79 10.707 -1.066 1.545 1.00 0.00 C ATOM 1195 O GLY A 79 10.935 -1.947 2.373 1.00 0.00 O ATOM 0 H GLY A 79 10.551 0.663 -0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.893 -1.745 -0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.427 -1.459 0.305 1.00 0.00 H new ATOM 1199 N ALA A 80 9.863 -0.061 1.732 1.00 0.00 N ATOM 1200 CA ALA A 80 9.121 0.072 2.974 1.00 0.00 C ATOM 1201 C ALA A 80 7.869 -0.804 2.912 1.00 0.00 C ATOM 1202 O ALA A 80 7.018 -0.616 2.043 1.00 0.00 O ATOM 1203 CB ALA A 80 8.791 1.546 3.215 1.00 0.00 C ATOM 0 H ALA A 80 9.677 0.669 1.044 1.00 0.00 H new ATOM 0 HA ALA A 80 9.720 -0.270 3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.234 1.647 4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.715 2.120 3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.188 1.924 2.389 1.00 0.00 H new ATOM 1209 N LYS A 81 7.795 -1.742 3.844 1.00 0.00 N ATOM 1210 CA LYS A 81 6.660 -2.648 3.906 1.00 0.00 C ATOM 1211 C LYS A 81 5.422 -1.877 4.368 1.00 0.00 C ATOM 1212 O LYS A 81 5.539 -0.857 5.045 1.00 0.00 O ATOM 1213 CB LYS A 81 6.990 -3.861 4.778 1.00 0.00 C ATOM 1214 CG LYS A 81 7.010 -5.145 3.946 1.00 0.00 C ATOM 1215 CD LYS A 81 8.359 -5.325 3.247 1.00 0.00 C ATOM 1216 CE LYS A 81 9.446 -5.722 4.248 1.00 0.00 C ATOM 1217 NZ LYS A 81 10.455 -4.647 4.371 1.00 0.00 N ATOM 0 H LYS A 81 8.502 -1.895 4.563 1.00 0.00 H new ATOM 0 HA LYS A 81 6.437 -3.047 2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.959 -3.717 5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.252 -3.952 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.813 -6.002 4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.213 -5.114 3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.274 -6.090 2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.640 -4.398 2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.997 -5.921 5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.927 -6.645 3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.045 -4.819 5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.056 -4.636 3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.975 -3.730 4.467 1.00 0.00 H new ATOM 1231 N ILE A 82 4.265 -2.394 3.983 1.00 0.00 N ATOM 1232 CA ILE A 82 3.006 -1.766 4.350 1.00 0.00 C ATOM 1233 C ILE A 82 2.008 -2.845 4.775 1.00 0.00 C ATOM 1234 O ILE A 82 1.490 -3.582 3.936 1.00 0.00 O ATOM 1235 CB ILE A 82 2.501 -0.874 3.214 1.00 0.00 C ATOM 1236 CG1 ILE A 82 3.535 0.195 2.855 1.00 0.00 C ATOM 1237 CG2 ILE A 82 1.141 -0.264 3.559 1.00 0.00 C ATOM 1238 CD1 ILE A 82 3.515 1.339 3.871 1.00 0.00 C ATOM 0 H ILE A 82 4.172 -3.240 3.421 1.00 0.00 H new ATOM 0 HA ILE A 82 3.145 -1.105 5.205 1.00 0.00 H new ATOM 0 HB ILE A 82 2.360 -1.495 2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.529 -0.251 2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.329 0.585 1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.805 0.365 2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.416 -1.061 3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.231 0.339 4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.259 2.086 3.593 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.527 1.798 3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.745 0.949 4.863 1.00 0.00 H new ATOM 1250 N MET A 83 1.768 -2.905 6.076 1.00 0.00 N ATOM 1251 CA MET A 83 0.841 -3.881 6.622 1.00 0.00 C ATOM 1252 C MET A 83 -0.604 -3.388 6.511 1.00 0.00 C ATOM 1253 O MET A 83 -0.894 -2.233 6.816 1.00 0.00 O ATOM 1254 CB MET A 83 1.180 -4.142 8.091 1.00 0.00 C ATOM 1255 CG MET A 83 1.026 -5.625 8.435 1.00 0.00 C ATOM 1256 SD MET A 83 2.461 -6.196 9.330 1.00 0.00 S ATOM 1257 CE MET A 83 2.838 -7.673 8.402 1.00 0.00 C ATOM 0 H MET A 83 2.200 -2.293 6.769 1.00 0.00 H new ATOM 0 HA MET A 83 0.935 -4.803 6.049 1.00 0.00 H new ATOM 0 HB2 MET A 83 2.202 -3.822 8.294 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.527 -3.547 8.730 1.00 0.00 H new ATOM 0 HG2 MET A 83 0.129 -5.776 9.035 1.00 0.00 H new ATOM 0 HG3 MET A 83 0.901 -6.207 7.522 1.00 0.00 H new ATOM 0 HE1 MET A 83 2.982 -8.507 9.089 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.013 -7.898 7.726 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.749 -7.517 7.824 1.00 0.00 H new ATOM 1267 N VAL A 84 -1.471 -4.289 6.073 1.00 0.00 N ATOM 1268 CA VAL A 84 -2.877 -3.961 5.918 1.00 0.00 C ATOM 1269 C VAL A 84 -3.725 -5.010 6.641 1.00 0.00 C ATOM 1270 O VAL A 84 -3.281 -6.139 6.844 1.00 0.00 O ATOM 1271 CB VAL A 84 -3.224 -3.833 4.433 1.00 0.00 C ATOM 1272 CG1 VAL A 84 -4.665 -3.354 4.246 1.00 0.00 C ATOM 1273 CG2 VAL A 84 -2.241 -2.903 3.719 1.00 0.00 C ATOM 0 H VAL A 84 -1.226 -5.246 5.821 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.096 -2.996 6.374 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.138 -4.822 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.886 -3.271 3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.348 -4.069 4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.789 -2.380 4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.510 -2.829 2.665 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.281 -1.913 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.231 -3.303 3.809 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.929 -4.599 7.011 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.842 -5.489 7.708 1.00 0.00 C ATOM 1285 C VAL A 85 -7.071 -5.739 6.831 1.00 0.00 C ATOM 1286 O VAL A 85 -7.283 -5.043 5.840 1.00 0.00 O ATOM 1287 CB VAL A 85 -6.194 -4.909 9.079 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.160 -3.730 8.944 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -6.770 -5.987 9.999 1.00 0.00 C ATOM 0 H VAL A 85 -5.293 -3.662 6.841 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.370 -6.454 7.890 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.274 -4.539 9.532 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.394 -3.336 9.933 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.697 -2.948 8.342 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.078 -4.065 8.460 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.012 -5.548 10.967 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.674 -6.401 9.553 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.035 -6.781 10.134 1.00 0.00 H new ATOM 1299 N GLY A 86 -7.848 -6.736 7.229 1.00 0.00 N ATOM 1300 CA GLY A 86 -9.050 -7.087 6.492 1.00 0.00 C ATOM 1301 C GLY A 86 -8.912 -8.465 5.841 1.00 0.00 C ATOM 1302 O GLY A 86 -7.906 -9.147 6.032 1.00 0.00 O ATOM 0 H GLY A 86 -7.669 -7.311 8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.907 -7.083 7.165 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.243 -6.336 5.725 1.00 0.00 H new ATOM 1306 N SER A 87 -9.936 -8.833 5.086 1.00 0.00 N ATOM 1307 CA SER A 87 -9.941 -10.117 4.406 1.00 0.00 C ATOM 1308 C SER A 87 -11.161 -10.218 3.487 1.00 0.00 C ATOM 1309 O SER A 87 -12.056 -11.027 3.725 1.00 0.00 O ATOM 1310 CB SER A 87 -9.936 -11.272 5.409 1.00 0.00 C ATOM 1311 OG SER A 87 -9.367 -12.456 4.857 1.00 0.00 O ATOM 0 H SER A 87 -10.768 -8.264 4.930 1.00 0.00 H new ATOM 0 HA SER A 87 -9.034 -10.189 3.806 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.374 -10.979 6.296 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.957 -11.477 5.731 1.00 0.00 H new ATOM 0 HG SER A 87 -9.381 -13.169 5.529 1.00 0.00 H new ATOM 1317 N THR A 88 -11.156 -9.385 2.457 1.00 0.00 N ATOM 1318 CA THR A 88 -12.251 -9.370 1.502 1.00 0.00 C ATOM 1319 C THR A 88 -13.596 -9.383 2.231 1.00 0.00 C ATOM 1320 O THR A 88 -14.111 -10.446 2.571 1.00 0.00 O ATOM 1321 CB THR A 88 -12.065 -10.554 0.551 1.00 0.00 C ATOM 1322 OG1 THR A 88 -10.910 -10.210 -0.210 1.00 0.00 O ATOM 1323 CG2 THR A 88 -13.182 -10.650 -0.490 1.00 0.00 C ATOM 0 H THR A 88 -10.411 -8.716 2.263 1.00 0.00 H new ATOM 0 HA THR A 88 -12.246 -8.454 0.910 1.00 0.00 H new ATOM 0 HB THR A 88 -12.025 -11.479 1.127 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.716 -10.925 -0.852 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.002 -11.507 -1.139 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.140 -10.773 0.015 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.201 -9.739 -1.088 1.00 0.00 H new ATOM 1331 N ILE A 89 -14.125 -8.188 2.450 1.00 0.00 N ATOM 1332 CA ILE A 89 -15.400 -8.048 3.134 1.00 0.00 C ATOM 1333 C ILE A 89 -16.454 -7.554 2.141 1.00 0.00 C ATOM 1334 O ILE A 89 -17.635 -7.870 2.276 1.00 0.00 O ATOM 1335 CB ILE A 89 -15.251 -7.156 4.368 1.00 0.00 C ATOM 1336 CG1 ILE A 89 -16.607 -6.908 5.031 1.00 0.00 C ATOM 1337 CG2 ILE A 89 -14.536 -5.850 4.017 1.00 0.00 C ATOM 1338 CD1 ILE A 89 -16.775 -7.777 6.279 1.00 0.00 C ATOM 0 H ILE A 89 -13.694 -7.308 2.166 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.741 -9.014 3.507 1.00 0.00 H new ATOM 0 HB ILE A 89 -14.628 -7.678 5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.696 -5.856 5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.407 -7.124 4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.443 -5.234 4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -13.544 -6.073 3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.111 -5.311 3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -17.747 -7.581 6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -16.709 -8.829 6.001 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -15.988 -7.541 6.995 1.00 0.00 H new ATOM 1350 N SER A 90 -15.989 -6.787 1.166 1.00 0.00 N ATOM 1351 CA SER A 90 -16.877 -6.246 0.151 1.00 0.00 C ATOM 1352 C SER A 90 -16.081 -5.894 -1.107 1.00 0.00 C ATOM 1353 O SER A 90 -14.853 -5.835 -1.072 1.00 0.00 O ATOM 1354 CB SER A 90 -17.621 -5.014 0.670 1.00 0.00 C ATOM 1355 OG SER A 90 -18.828 -4.776 -0.049 1.00 0.00 O ATOM 0 H SER A 90 -15.009 -6.527 1.057 1.00 0.00 H new ATOM 0 HA SER A 90 -17.617 -7.007 -0.096 1.00 0.00 H new ATOM 0 HB2 SER A 90 -17.849 -5.147 1.727 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.974 -4.140 0.591 1.00 0.00 H new ATOM 0 HG SER A 90 -19.274 -3.982 0.314 1.00 0.00 H new ATOM 1361 N GLY A 91 -16.813 -5.669 -2.188 1.00 0.00 N ATOM 1362 CA GLY A 91 -16.190 -5.324 -3.455 1.00 0.00 C ATOM 1363 C GLY A 91 -17.228 -5.264 -4.578 1.00 0.00 C ATOM 1364 O GLY A 91 -17.198 -6.078 -5.500 1.00 0.00 O ATOM 0 H GLY A 91 -17.831 -5.719 -2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -15.688 -4.360 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.425 -6.061 -3.701 1.00 0.00 H new ATOM 1368 N PRO A 92 -18.146 -4.268 -4.459 1.00 0.00 N ATOM 1369 CA PRO A 92 -19.191 -4.091 -5.453 1.00 0.00 C ATOM 1370 C PRO A 92 -18.631 -3.470 -6.734 1.00 0.00 C ATOM 1371 O PRO A 92 -18.784 -4.030 -7.818 1.00 0.00 O ATOM 1372 CB PRO A 92 -20.234 -3.217 -4.776 1.00 0.00 C ATOM 1373 CG PRO A 92 -19.526 -2.555 -3.605 1.00 0.00 C ATOM 1374 CD PRO A 92 -18.212 -3.286 -3.381 1.00 0.00 C ATOM 0 HA PRO A 92 -19.630 -5.036 -5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -20.627 -2.471 -5.467 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -21.081 -3.813 -4.435 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -19.345 -1.501 -3.815 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -20.146 -2.600 -2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -17.366 -2.600 -3.418 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -18.189 -3.768 -2.404 1.00 0.00 H new ATOM 1382 N SER A 93 -17.993 -2.321 -6.567 1.00 0.00 N ATOM 1383 CA SER A 93 -17.409 -1.618 -7.696 1.00 0.00 C ATOM 1384 C SER A 93 -18.503 -1.224 -8.690 1.00 0.00 C ATOM 1385 O SER A 93 -19.524 -1.902 -8.795 1.00 0.00 O ATOM 1386 CB SER A 93 -16.346 -2.474 -8.388 1.00 0.00 C ATOM 1387 OG SER A 93 -15.948 -1.922 -9.640 1.00 0.00 O ATOM 0 H SER A 93 -17.868 -1.859 -5.666 1.00 0.00 H new ATOM 0 HA SER A 93 -16.924 -0.716 -7.323 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.475 -2.565 -7.739 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.735 -3.480 -8.543 1.00 0.00 H new ATOM 0 HG SER A 93 -15.267 -2.496 -10.049 1.00 0.00 H new ATOM 1393 N SER A 94 -18.252 -0.130 -9.394 1.00 0.00 N ATOM 1394 CA SER A 94 -19.204 0.362 -10.376 1.00 0.00 C ATOM 1395 C SER A 94 -18.596 0.284 -11.778 1.00 0.00 C ATOM 1396 O SER A 94 -17.455 0.692 -11.988 1.00 0.00 O ATOM 1397 CB SER A 94 -19.627 1.798 -10.061 1.00 0.00 C ATOM 1398 OG SER A 94 -20.906 2.109 -10.607 1.00 0.00 O ATOM 0 H SER A 94 -17.404 0.429 -9.304 1.00 0.00 H new ATOM 0 HA SER A 94 -20.093 -0.267 -10.336 1.00 0.00 H new ATOM 0 HB2 SER A 94 -19.649 1.941 -8.981 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.885 2.490 -10.459 1.00 0.00 H new ATOM 0 HG SER A 94 -21.141 3.034 -10.383 1.00 0.00 H new ATOM 1404 N GLY A 95 -19.386 -0.244 -12.702 1.00 0.00 N ATOM 1405 CA GLY A 95 -18.941 -0.381 -14.078 1.00 0.00 C ATOM 1406 C GLY A 95 -20.120 -0.283 -15.049 1.00 0.00 C ATOM 1407 O GLY A 95 -21.175 0.242 -14.697 1.00 0.00 O ATOM 0 H GLY A 95 -20.332 -0.582 -12.524 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -18.211 0.396 -14.307 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.438 -1.339 -14.207 1.00 0.00 H new TER 1411 GLY A 95