USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 859 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= -0.638 K(o=-1.2,f=-5.1) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 134:sc= -0.582 (180deg=-2.16!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0919 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 40:sc= 0.425 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -2.85! C(o=-2.9!,f=-2.5!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.335 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 154:sc= 1.15 USER MOD Single : A 17 GLN : amide:sc= -0.223 K(o=-0.22,f=-0.79) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 23 SER OG : rot -110:sc= -0.961 USER MOD Single : A 24 MET CE :methyl 167:sc=-0.00148 (180deg=-0.341) USER MOD Single : A 26 GLN : amide:sc= -0.892 X(o=-0.89,f=-1.4) USER MOD Single : A 31 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 36 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 149:sc= -0.306 (180deg=-1.51) USER MOD Single : A 43 TYR OH : rot 30:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -4! C(o=-4!,f=-9.2!) USER MOD Single : A 50 THR OG1 : rot -86:sc= 0.957 USER MOD Single : A 54 CYS SG : rot 180:sc=-0.00681 USER MOD Single : A 55 ASN : amide:sc= -1.73! C(o=-1.7!,f=-2.8!) USER MOD Single : A 56 MET CE :methyl -158:sc= -0.69 (180deg=-2.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.607 K(o=-0.61,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 178:sc= -0.0233 (180deg=-0.0271) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.4) 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 86 GLN : amide:sc= -4.88! C(o=-4.9!,f=-9.7!) USER MOD Single : A 87 ASN : amide:sc= 0.07 X(o=0.07,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.937 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 160:sc= -0.0516 USER MOD Single : A 98 SER OG : rot 18:sc= 0.702 USER MOD Single : A 101 SER OG : rot -175:sc= 0.0945 USER MOD Single : A 102 SER OG : rot 16:sc= 0.691! USER MOD Single : A 103 SER OG : rot 123:sc= -0.212 USER MOD Single : A 104 GLN : amide:sc=-0.00222 K(o=-0.0022,f=-0.77) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.042 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.268 -6.253 -25.739 1.00 0.00 N ATOM 2 CA GLY A 1 -35.879 -6.665 -25.652 1.00 0.00 C ATOM 3 C GLY A 1 -34.919 -5.549 -26.013 1.00 0.00 C ATOM 4 O GLY A 1 -35.088 -4.882 -27.033 1.00 0.00 O ATOM 0 H1 GLY A 1 -37.884 -7.051 -25.483 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.437 -5.462 -25.086 1.00 0.00 H new ATOM 0 H3 GLY A 1 -37.480 -5.951 -26.711 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.668 -7.008 -24.639 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.712 -7.513 -26.317 1.00 0.00 H new ATOM 8 N SER A 2 -33.909 -5.345 -25.173 1.00 0.00 N ATOM 9 CA SER A 2 -32.922 -4.298 -25.406 1.00 0.00 C ATOM 10 C SER A 2 -31.505 -4.849 -25.279 1.00 0.00 C ATOM 11 O SER A 2 -31.298 -5.943 -24.754 1.00 0.00 O ATOM 12 CB SER A 2 -33.124 -3.147 -24.418 1.00 0.00 C ATOM 13 OG SER A 2 -32.254 -2.067 -24.709 1.00 0.00 O ATOM 0 H SER A 2 -33.753 -5.891 -24.326 1.00 0.00 H new ATOM 0 HA SER A 2 -33.059 -3.924 -26.421 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.158 -2.806 -24.459 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.944 -3.500 -23.402 1.00 0.00 H new ATOM 0 HG SER A 2 -32.404 -1.344 -24.065 1.00 0.00 H new ATOM 19 N SER A 3 -30.533 -4.084 -25.764 1.00 0.00 N ATOM 20 CA SER A 3 -29.135 -4.496 -25.709 1.00 0.00 C ATOM 21 C SER A 3 -28.490 -4.056 -24.398 1.00 0.00 C ATOM 22 O SER A 3 -28.696 -2.934 -23.938 1.00 0.00 O ATOM 23 CB SER A 3 -28.361 -3.912 -26.892 1.00 0.00 C ATOM 24 OG SER A 3 -27.261 -4.735 -27.239 1.00 0.00 O ATOM 0 H SER A 3 -30.688 -3.175 -26.200 1.00 0.00 H new ATOM 0 HA SER A 3 -29.101 -5.584 -25.764 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.026 -3.808 -27.750 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.006 -2.913 -26.640 1.00 0.00 H new ATOM 0 HG SER A 3 -26.784 -4.340 -27.999 1.00 0.00 H new ATOM 30 N GLY A 4 -27.707 -4.950 -23.801 1.00 0.00 N ATOM 31 CA GLY A 4 -27.044 -4.637 -22.549 1.00 0.00 C ATOM 32 C GLY A 4 -25.533 -4.665 -22.671 1.00 0.00 C ATOM 33 O GLY A 4 -24.956 -5.667 -23.093 1.00 0.00 O ATOM 0 H GLY A 4 -27.520 -5.885 -24.162 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.360 -3.650 -22.211 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.357 -5.351 -21.787 1.00 0.00 H new ATOM 37 N SER A 5 -24.891 -3.561 -22.302 1.00 0.00 N ATOM 38 CA SER A 5 -23.439 -3.460 -22.377 1.00 0.00 C ATOM 39 C SER A 5 -22.786 -4.104 -21.158 1.00 0.00 C ATOM 40 O SER A 5 -22.988 -3.663 -20.026 1.00 0.00 O ATOM 41 CB SER A 5 -23.012 -1.995 -22.484 1.00 0.00 C ATOM 42 OG SER A 5 -21.603 -1.878 -22.572 1.00 0.00 O ATOM 0 H SER A 5 -25.354 -2.724 -21.948 1.00 0.00 H new ATOM 0 HA SER A 5 -23.109 -3.993 -23.269 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.473 -1.542 -23.362 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.372 -1.444 -21.615 1.00 0.00 H new ATOM 0 HG SER A 5 -21.357 -0.932 -22.641 1.00 0.00 H new ATOM 48 N SER A 6 -22.001 -5.150 -21.397 1.00 0.00 N ATOM 49 CA SER A 6 -21.321 -5.858 -20.319 1.00 0.00 C ATOM 50 C SER A 6 -20.307 -6.852 -20.878 1.00 0.00 C ATOM 51 O SER A 6 -20.674 -7.852 -21.492 1.00 0.00 O ATOM 52 CB SER A 6 -22.337 -6.589 -19.440 1.00 0.00 C ATOM 53 OG SER A 6 -23.157 -7.448 -20.213 1.00 0.00 O ATOM 0 H SER A 6 -21.820 -5.526 -22.328 1.00 0.00 H new ATOM 0 HA SER A 6 -20.789 -5.124 -19.714 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.814 -7.168 -18.679 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.958 -5.863 -18.916 1.00 0.00 H new ATOM 0 HG SER A 6 -22.613 -7.891 -20.897 1.00 0.00 H new ATOM 59 N GLY A 7 -19.026 -6.567 -20.659 1.00 0.00 N ATOM 60 CA GLY A 7 -17.978 -7.444 -21.146 1.00 0.00 C ATOM 61 C GLY A 7 -17.594 -8.507 -20.135 1.00 0.00 C ATOM 62 O GLY A 7 -18.431 -8.963 -19.356 1.00 0.00 O ATOM 0 H GLY A 7 -18.696 -5.745 -20.153 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.310 -7.925 -22.066 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.099 -6.850 -21.396 1.00 0.00 H new ATOM 66 N MET A 8 -16.326 -8.903 -20.147 1.00 0.00 N ATOM 67 CA MET A 8 -15.833 -9.919 -19.224 1.00 0.00 C ATOM 68 C MET A 8 -16.398 -9.701 -17.824 1.00 0.00 C ATOM 69 O MET A 8 -16.356 -8.591 -17.294 1.00 0.00 O ATOM 70 CB MET A 8 -14.304 -9.899 -19.179 1.00 0.00 C ATOM 71 CG MET A 8 -13.699 -11.150 -18.564 1.00 0.00 C ATOM 72 SD MET A 8 -14.192 -12.656 -19.425 1.00 0.00 S ATOM 73 CE MET A 8 -13.960 -13.876 -18.133 1.00 0.00 C ATOM 0 H MET A 8 -15.621 -8.536 -20.786 1.00 0.00 H new ATOM 0 HA MET A 8 -16.165 -10.893 -19.583 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.920 -9.780 -20.192 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.977 -9.029 -18.610 1.00 0.00 H new ATOM 0 HG2 MET A 8 -12.612 -11.068 -18.578 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.000 -11.219 -17.519 1.00 0.00 H new ATOM 0 HE1 MET A 8 -14.225 -14.863 -18.513 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.917 -13.877 -17.816 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.597 -13.632 -17.283 1.00 0.00 H new ATOM 83 N ASN A 9 -16.926 -10.766 -17.231 1.00 0.00 N ATOM 84 CA ASN A 9 -17.500 -10.691 -15.893 1.00 0.00 C ATOM 85 C ASN A 9 -16.406 -10.696 -14.830 1.00 0.00 C ATOM 86 O ASN A 9 -16.442 -9.910 -13.883 1.00 0.00 O ATOM 87 CB ASN A 9 -18.459 -11.860 -15.659 1.00 0.00 C ATOM 88 CG ASN A 9 -17.830 -13.199 -15.991 1.00 0.00 C ATOM 89 OD1 ASN A 9 -17.333 -13.900 -15.109 1.00 0.00 O ATOM 90 ND2 ASN A 9 -17.847 -13.560 -17.269 1.00 0.00 N ATOM 0 H ASN A 9 -16.968 -11.692 -17.656 1.00 0.00 H new ATOM 0 HA ASN A 9 -18.053 -9.755 -15.815 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -18.779 -11.861 -14.617 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.353 -11.721 -16.267 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.437 -14.450 -17.553 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -18.270 -12.947 -17.966 1.00 0.00 H new ATOM 97 N ARG A 10 -15.433 -11.587 -14.995 1.00 0.00 N ATOM 98 CA ARG A 10 -14.328 -11.695 -14.050 1.00 0.00 C ATOM 99 C ARG A 10 -13.430 -10.464 -14.121 1.00 0.00 C ATOM 100 O ARG A 10 -13.520 -9.669 -15.057 1.00 0.00 O ATOM 101 CB ARG A 10 -13.508 -12.955 -14.334 1.00 0.00 C ATOM 102 CG ARG A 10 -14.258 -14.247 -14.049 1.00 0.00 C ATOM 103 CD ARG A 10 -14.438 -14.468 -12.555 1.00 0.00 C ATOM 104 NE ARG A 10 -13.172 -14.762 -11.889 1.00 0.00 N ATOM 105 CZ ARG A 10 -13.086 -15.349 -10.700 1.00 0.00 C ATOM 106 NH1 ARG A 10 -14.187 -15.703 -10.051 1.00 0.00 N ATOM 107 NH2 ARG A 10 -11.898 -15.583 -10.159 1.00 0.00 N ATOM 0 H ARG A 10 -15.388 -12.244 -15.774 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.746 -11.761 -13.046 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.197 -12.948 -15.379 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.600 -12.931 -13.731 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.234 -14.217 -14.534 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.714 -15.088 -14.479 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.885 -13.580 -12.108 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.133 -15.291 -12.391 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.307 -14.503 -12.362 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.102 -15.525 -10.464 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.119 -16.153 -9.138 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.049 -15.312 -10.656 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.833 -16.034 -9.246 1.00 0.00 H new ATOM 121 N THR A 11 -12.563 -10.312 -13.124 1.00 0.00 N ATOM 122 CA THR A 11 -11.650 -9.178 -13.071 1.00 0.00 C ATOM 123 C THR A 11 -10.431 -9.492 -12.212 1.00 0.00 C ATOM 124 O THR A 11 -10.562 -9.919 -11.065 1.00 0.00 O ATOM 125 CB THR A 11 -12.346 -7.921 -12.515 1.00 0.00 C ATOM 126 OG1 THR A 11 -13.541 -7.653 -13.257 1.00 0.00 O ATOM 127 CG2 THR A 11 -11.421 -6.716 -12.582 1.00 0.00 C ATOM 0 H THR A 11 -12.475 -10.961 -12.342 1.00 0.00 H new ATOM 0 HA THR A 11 -11.329 -8.984 -14.094 1.00 0.00 H new ATOM 0 HB THR A 11 -12.601 -8.106 -11.472 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.978 -6.853 -12.896 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.934 -5.841 -12.184 1.00 0.00 H new ATOM 0 HG22 THR A 11 -10.526 -6.911 -11.992 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.139 -6.531 -13.618 1.00 0.00 H new ATOM 135 N ALA A 12 -9.246 -9.278 -12.773 1.00 0.00 N ATOM 136 CA ALA A 12 -8.003 -9.536 -12.056 1.00 0.00 C ATOM 137 C ALA A 12 -7.830 -8.568 -10.891 1.00 0.00 C ATOM 138 O ALA A 12 -7.931 -7.353 -11.061 1.00 0.00 O ATOM 139 CB ALA A 12 -6.817 -9.441 -13.005 1.00 0.00 C ATOM 0 H ALA A 12 -9.120 -8.926 -13.722 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.049 -10.547 -11.650 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.896 -9.636 -12.456 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.928 -10.177 -13.801 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.777 -8.442 -13.438 1.00 0.00 H new ATOM 145 N MET A 13 -7.569 -9.114 -9.708 1.00 0.00 N ATOM 146 CA MET A 13 -7.381 -8.297 -8.514 1.00 0.00 C ATOM 147 C MET A 13 -5.900 -8.154 -8.181 1.00 0.00 C ATOM 148 O MET A 13 -5.509 -8.204 -7.015 1.00 0.00 O ATOM 149 CB MET A 13 -8.126 -8.911 -7.328 1.00 0.00 C ATOM 150 CG MET A 13 -9.592 -8.517 -7.260 1.00 0.00 C ATOM 151 SD MET A 13 -10.286 -8.701 -5.606 1.00 0.00 S ATOM 152 CE MET A 13 -12.022 -8.406 -5.932 1.00 0.00 C ATOM 0 H MET A 13 -7.483 -10.118 -9.550 1.00 0.00 H new ATOM 0 HA MET A 13 -7.787 -7.306 -8.715 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.053 -9.997 -7.387 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.634 -8.608 -6.404 1.00 0.00 H new ATOM 0 HG2 MET A 13 -9.701 -7.481 -7.582 1.00 0.00 H new ATOM 0 HG3 MET A 13 -10.161 -9.130 -7.959 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.585 -8.485 -5.002 1.00 0.00 H new ATOM 0 HE2 MET A 13 -12.149 -7.407 -6.349 1.00 0.00 H new ATOM 0 HE3 MET A 13 -12.389 -9.146 -6.643 1.00 0.00 H new ATOM 162 N ARG A 14 -5.080 -7.976 -9.212 1.00 0.00 N ATOM 163 CA ARG A 14 -3.642 -7.827 -9.028 1.00 0.00 C ATOM 164 C ARG A 14 -3.153 -6.505 -9.612 1.00 0.00 C ATOM 165 O ARG A 14 -3.755 -5.963 -10.538 1.00 0.00 O ATOM 166 CB ARG A 14 -2.899 -8.992 -9.684 1.00 0.00 C ATOM 167 CG ARG A 14 -2.856 -8.910 -11.202 1.00 0.00 C ATOM 168 CD ARG A 14 -1.618 -9.594 -11.762 1.00 0.00 C ATOM 169 NE ARG A 14 -1.856 -11.006 -12.048 1.00 0.00 N ATOM 170 CZ ARG A 14 -0.887 -11.876 -12.310 1.00 0.00 C ATOM 171 NH1 ARG A 14 0.378 -11.480 -12.321 1.00 0.00 N ATOM 172 NH2 ARG A 14 -1.183 -13.145 -12.561 1.00 0.00 N ATOM 0 H ARG A 14 -5.388 -7.932 -10.183 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.436 -7.830 -7.958 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.879 -9.023 -9.301 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.377 -9.927 -9.393 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.750 -9.375 -11.618 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.867 -7.865 -11.512 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.305 -9.087 -12.675 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.799 -9.501 -11.049 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.819 -11.343 -12.047 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.609 -10.505 -12.128 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.120 -12.150 -12.522 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.155 -13.453 -12.553 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.438 -13.812 -12.762 1.00 0.00 H new ATOM 186 N ALA A 15 -2.058 -5.990 -9.062 1.00 0.00 N ATOM 187 CA ALA A 15 -1.487 -4.733 -9.529 1.00 0.00 C ATOM 188 C ALA A 15 0.036 -4.793 -9.545 1.00 0.00 C ATOM 189 O ALA A 15 0.643 -5.584 -8.824 1.00 0.00 O ATOM 190 CB ALA A 15 -1.962 -3.581 -8.655 1.00 0.00 C ATOM 0 H ALA A 15 -1.549 -6.424 -8.292 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.828 -4.566 -10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.528 -2.648 -9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.049 -3.516 -8.698 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.649 -3.753 -7.625 1.00 0.00 H new ATOM 196 N SER A 16 0.649 -3.954 -10.374 1.00 0.00 N ATOM 197 CA SER A 16 2.102 -3.915 -10.487 1.00 0.00 C ATOM 198 C SER A 16 2.662 -2.636 -9.872 1.00 0.00 C ATOM 199 O SER A 16 1.926 -1.682 -9.623 1.00 0.00 O ATOM 200 CB SER A 16 2.523 -4.015 -11.955 1.00 0.00 C ATOM 201 OG SER A 16 2.559 -5.365 -12.384 1.00 0.00 O ATOM 0 H SER A 16 0.161 -3.292 -10.978 1.00 0.00 H new ATOM 0 HA SER A 16 2.507 -4.767 -9.941 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.826 -3.451 -12.576 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.506 -3.562 -12.087 1.00 0.00 H new ATOM 0 HG SER A 16 2.414 -5.405 -13.352 1.00 0.00 H new ATOM 207 N GLN A 17 3.968 -2.626 -9.630 1.00 0.00 N ATOM 208 CA GLN A 17 4.627 -1.465 -9.043 1.00 0.00 C ATOM 209 C GLN A 17 4.105 -0.173 -9.661 1.00 0.00 C ATOM 210 O GLN A 17 3.730 0.761 -8.950 1.00 0.00 O ATOM 211 CB GLN A 17 6.142 -1.561 -9.235 1.00 0.00 C ATOM 212 CG GLN A 17 6.912 -0.435 -8.563 1.00 0.00 C ATOM 213 CD GLN A 17 6.815 -0.483 -7.051 1.00 0.00 C ATOM 214 OE1 GLN A 17 7.171 -1.482 -6.426 1.00 0.00 O ATOM 215 NE2 GLN A 17 6.332 0.600 -6.454 1.00 0.00 N ATOM 0 H GLN A 17 4.591 -3.408 -9.831 1.00 0.00 H new ATOM 0 HA GLN A 17 4.403 -1.452 -7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.490 -2.515 -8.840 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.366 -1.557 -10.302 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.960 -0.490 -8.858 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.531 0.523 -8.918 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.049 1.406 -7.011 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.244 0.626 -5.438 1.00 0.00 H new ATOM 224 N LYS A 18 4.082 -0.124 -10.988 1.00 0.00 N ATOM 225 CA LYS A 18 3.605 1.053 -11.703 1.00 0.00 C ATOM 226 C LYS A 18 2.286 1.548 -11.119 1.00 0.00 C ATOM 227 O LYS A 18 2.141 2.728 -10.801 1.00 0.00 O ATOM 228 CB LYS A 18 3.429 0.736 -13.190 1.00 0.00 C ATOM 229 CG LYS A 18 3.437 1.966 -14.080 1.00 0.00 C ATOM 230 CD LYS A 18 4.852 2.452 -14.347 1.00 0.00 C ATOM 231 CE LYS A 18 4.900 3.402 -15.535 1.00 0.00 C ATOM 232 NZ LYS A 18 6.175 4.170 -15.579 1.00 0.00 N ATOM 0 H LYS A 18 4.389 -0.887 -11.591 1.00 0.00 H new ATOM 0 HA LYS A 18 4.350 1.841 -11.591 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.227 0.064 -13.506 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.489 0.203 -13.330 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.946 1.735 -15.025 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.861 2.762 -13.608 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.238 2.956 -13.461 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.502 1.598 -14.536 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.786 2.835 -16.459 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.060 4.095 -15.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.169 4.806 -16.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.272 4.731 -14.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.975 3.510 -15.657 1.00 0.00 H new ATOM 246 N ASP A 19 1.329 0.638 -10.978 1.00 0.00 N ATOM 247 CA ASP A 19 0.022 0.981 -10.429 1.00 0.00 C ATOM 248 C ASP A 19 0.167 1.696 -9.089 1.00 0.00 C ATOM 249 O ASP A 19 -0.505 2.694 -8.831 1.00 0.00 O ATOM 250 CB ASP A 19 -0.831 -0.278 -10.260 1.00 0.00 C ATOM 251 CG ASP A 19 -2.314 0.006 -10.389 1.00 0.00 C ATOM 252 OD1 ASP A 19 -2.784 0.993 -9.785 1.00 0.00 O ATOM 253 OD2 ASP A 19 -3.006 -0.758 -11.094 1.00 0.00 O ATOM 0 H ASP A 19 1.433 -0.343 -11.236 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.473 1.654 -11.129 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.539 -1.015 -11.008 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.632 -0.720 -9.284 1.00 0.00 H new ATOM 258 N PHE A 20 1.047 1.177 -8.239 1.00 0.00 N ATOM 259 CA PHE A 20 1.279 1.764 -6.925 1.00 0.00 C ATOM 260 C PHE A 20 1.719 3.220 -7.049 1.00 0.00 C ATOM 261 O PHE A 20 1.065 4.123 -6.528 1.00 0.00 O ATOM 262 CB PHE A 20 2.337 0.963 -6.164 1.00 0.00 C ATOM 263 CG PHE A 20 2.462 1.355 -4.720 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.100 2.531 -4.360 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.942 0.547 -3.721 1.00 0.00 C ATOM 266 CE1 PHE A 20 3.216 2.895 -3.031 1.00 0.00 C ATOM 267 CE2 PHE A 20 2.055 0.906 -2.391 1.00 0.00 C ATOM 268 CZ PHE A 20 2.694 2.080 -2.046 1.00 0.00 C ATOM 0 H PHE A 20 1.611 0.351 -8.437 1.00 0.00 H new ATOM 0 HA PHE A 20 0.341 1.732 -6.371 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.091 -0.097 -6.224 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.302 1.095 -6.653 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.512 3.171 -5.126 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.443 -0.374 -3.985 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.714 3.815 -2.764 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.644 0.269 -1.622 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.786 2.361 -1.007 1.00 0.00 H new ATOM 278 N GLU A 21 2.831 3.439 -7.744 1.00 0.00 N ATOM 279 CA GLU A 21 3.359 4.784 -7.936 1.00 0.00 C ATOM 280 C GLU A 21 2.238 5.768 -8.256 1.00 0.00 C ATOM 281 O GLU A 21 2.283 6.929 -7.851 1.00 0.00 O ATOM 282 CB GLU A 21 4.397 4.793 -9.060 1.00 0.00 C ATOM 283 CG GLU A 21 5.793 4.404 -8.603 1.00 0.00 C ATOM 284 CD GLU A 21 6.852 4.696 -9.648 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.776 5.766 -10.287 1.00 0.00 O ATOM 286 OE2 GLU A 21 7.757 3.855 -9.827 1.00 0.00 O ATOM 0 H GLU A 21 3.383 2.702 -8.183 1.00 0.00 H new ATOM 0 HA GLU A 21 3.837 5.095 -7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.077 4.107 -9.844 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.433 5.789 -9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.034 4.942 -7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.809 3.341 -8.362 1.00 0.00 H new ATOM 293 N ASN A 22 1.233 5.294 -8.985 1.00 0.00 N ATOM 294 CA ASN A 22 0.100 6.132 -9.361 1.00 0.00 C ATOM 295 C ASN A 22 -0.900 6.240 -8.215 1.00 0.00 C ATOM 296 O ASN A 22 -1.409 7.322 -7.921 1.00 0.00 O ATOM 297 CB ASN A 22 -0.590 5.565 -10.604 1.00 0.00 C ATOM 298 CG ASN A 22 0.232 5.763 -11.863 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.560 6.891 -12.233 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.569 4.664 -12.528 1.00 0.00 N ATOM 0 H ASN A 22 1.180 4.335 -9.327 1.00 0.00 H new ATOM 0 HA ASN A 22 0.476 7.130 -9.586 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.777 4.501 -10.459 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.561 6.045 -10.728 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.122 4.734 -13.382 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.275 3.750 -12.184 1.00 0.00 H new ATOM 307 N SER A 23 -1.178 5.111 -7.570 1.00 0.00 N ATOM 308 CA SER A 23 -2.120 5.078 -6.458 1.00 0.00 C ATOM 309 C SER A 23 -1.658 5.993 -5.327 1.00 0.00 C ATOM 310 O SER A 23 -2.419 6.828 -4.840 1.00 0.00 O ATOM 311 CB SER A 23 -2.279 3.648 -5.939 1.00 0.00 C ATOM 312 OG SER A 23 -3.053 2.865 -6.831 1.00 0.00 O ATOM 0 H SER A 23 -0.764 4.207 -7.799 1.00 0.00 H new ATOM 0 HA SER A 23 -3.084 5.435 -6.820 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.297 3.193 -5.810 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.754 3.664 -4.958 1.00 0.00 H new ATOM 0 HG SER A 23 -3.922 2.667 -6.423 1.00 0.00 H new ATOM 318 N MET A 24 -0.405 5.827 -4.915 1.00 0.00 N ATOM 319 CA MET A 24 0.159 6.638 -3.842 1.00 0.00 C ATOM 320 C MET A 24 0.025 8.124 -4.157 1.00 0.00 C ATOM 321 O MET A 24 -0.203 8.939 -3.263 1.00 0.00 O ATOM 322 CB MET A 24 1.631 6.281 -3.625 1.00 0.00 C ATOM 323 CG MET A 24 2.469 6.362 -4.891 1.00 0.00 C ATOM 324 SD MET A 24 4.187 6.799 -4.560 1.00 0.00 S ATOM 325 CE MET A 24 4.474 8.030 -5.829 1.00 0.00 C ATOM 0 H MET A 24 0.238 5.139 -5.307 1.00 0.00 H new ATOM 0 HA MET A 24 -0.397 6.427 -2.929 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.053 6.952 -2.876 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.696 5.271 -3.220 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.435 5.402 -5.406 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.033 7.101 -5.564 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.403 8.560 -5.618 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.548 7.541 -6.800 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.646 8.739 -5.842 1.00 0.00 H new ATOM 335 N ASN A 25 0.170 8.471 -5.432 1.00 0.00 N ATOM 336 CA ASN A 25 0.066 9.860 -5.863 1.00 0.00 C ATOM 337 C ASN A 25 -1.338 10.403 -5.615 1.00 0.00 C ATOM 338 O ASN A 25 -1.505 11.475 -5.034 1.00 0.00 O ATOM 339 CB ASN A 25 0.417 9.982 -7.347 1.00 0.00 C ATOM 340 CG ASN A 25 0.509 11.426 -7.802 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.549 12.345 -6.984 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.543 11.632 -9.114 1.00 0.00 N ATOM 0 H ASN A 25 0.360 7.809 -6.185 1.00 0.00 H new ATOM 0 HA ASN A 25 0.773 10.450 -5.279 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.368 9.483 -7.535 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.337 9.464 -7.940 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.605 12.582 -9.480 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.507 10.840 -9.756 1.00 0.00 H new ATOM 349 N GLN A 26 -2.343 9.655 -6.059 1.00 0.00 N ATOM 350 CA GLN A 26 -3.733 10.061 -5.884 1.00 0.00 C ATOM 351 C GLN A 26 -4.020 10.407 -4.427 1.00 0.00 C ATOM 352 O GLN A 26 -4.683 11.402 -4.133 1.00 0.00 O ATOM 353 CB GLN A 26 -4.674 8.950 -6.352 1.00 0.00 C ATOM 354 CG GLN A 26 -4.488 8.570 -7.813 1.00 0.00 C ATOM 355 CD GLN A 26 -5.499 7.543 -8.282 1.00 0.00 C ATOM 356 OE1 GLN A 26 -5.228 6.342 -8.278 1.00 0.00 O ATOM 357 NE2 GLN A 26 -6.674 8.010 -8.689 1.00 0.00 N ATOM 0 H GLN A 26 -2.221 8.765 -6.542 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.904 10.951 -6.490 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.516 8.067 -5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.705 9.269 -6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.571 9.464 -8.430 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.482 8.176 -7.957 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.856 9.013 -8.676 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.394 7.365 -9.015 1.00 0.00 H new ATOM 366 N VAL A 27 -3.517 9.578 -3.517 1.00 0.00 N ATOM 367 CA VAL A 27 -3.719 9.797 -2.090 1.00 0.00 C ATOM 368 C VAL A 27 -3.053 11.090 -1.632 1.00 0.00 C ATOM 369 O VAL A 27 -3.458 11.691 -0.637 1.00 0.00 O ATOM 370 CB VAL A 27 -3.165 8.625 -1.259 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.461 8.830 0.219 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.743 7.305 -1.748 1.00 0.00 C ATOM 0 H VAL A 27 -2.967 8.749 -3.743 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.795 9.870 -1.930 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.083 8.592 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.062 7.992 0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.995 9.755 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.539 8.891 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.341 6.488 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.829 7.325 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.474 7.155 -2.794 1.00 0.00 H new ATOM 382 N LYS A 28 -2.029 11.513 -2.365 1.00 0.00 N ATOM 383 CA LYS A 28 -1.306 12.735 -2.037 1.00 0.00 C ATOM 384 C LYS A 28 -1.973 13.950 -2.674 1.00 0.00 C ATOM 385 O LYS A 28 -1.681 15.091 -2.316 1.00 0.00 O ATOM 386 CB LYS A 28 0.148 12.634 -2.505 1.00 0.00 C ATOM 387 CG LYS A 28 0.957 11.589 -1.756 1.00 0.00 C ATOM 388 CD LYS A 28 2.448 11.766 -1.989 1.00 0.00 C ATOM 389 CE LYS A 28 2.847 11.334 -3.392 1.00 0.00 C ATOM 390 NZ LYS A 28 2.598 12.407 -4.395 1.00 0.00 N ATOM 0 H LYS A 28 -1.681 11.027 -3.191 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.325 12.858 -0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.163 12.399 -3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.627 13.606 -2.387 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.744 11.658 -0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.653 10.593 -2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.720 12.811 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.004 11.182 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.903 11.065 -3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.288 10.441 -3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.428 12.503 -5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.766 12.160 -4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.426 13.308 -3.904 1.00 0.00 H new ATOM 404 N LEU A 29 -2.871 13.697 -3.620 1.00 0.00 N ATOM 405 CA LEU A 29 -3.582 14.770 -4.307 1.00 0.00 C ATOM 406 C LEU A 29 -4.690 15.339 -3.427 1.00 0.00 C ATOM 407 O LEU A 29 -4.848 16.556 -3.317 1.00 0.00 O ATOM 408 CB LEU A 29 -4.171 14.258 -5.622 1.00 0.00 C ATOM 409 CG LEU A 29 -3.269 14.375 -6.852 1.00 0.00 C ATOM 410 CD1 LEU A 29 -1.884 13.824 -6.552 1.00 0.00 C ATOM 411 CD2 LEU A 29 -3.888 13.649 -8.037 1.00 0.00 C ATOM 0 H LEU A 29 -3.124 12.758 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.869 15.566 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.441 13.210 -5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.094 14.803 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.170 15.430 -7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.256 13.915 -7.438 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.438 14.387 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.963 12.774 -6.270 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.233 13.742 -8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.016 12.595 -7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.859 14.089 -8.267 1.00 0.00 H new ATOM 423 N LEU A 30 -5.455 14.452 -2.800 1.00 0.00 N ATOM 424 CA LEU A 30 -6.549 14.866 -1.928 1.00 0.00 C ATOM 425 C LEU A 30 -6.046 15.799 -0.831 1.00 0.00 C ATOM 426 O LEU A 30 -5.100 15.477 -0.112 1.00 0.00 O ATOM 427 CB LEU A 30 -7.220 13.641 -1.304 1.00 0.00 C ATOM 428 CG LEU A 30 -6.363 12.827 -0.334 1.00 0.00 C ATOM 429 CD1 LEU A 30 -6.402 13.439 1.057 1.00 0.00 C ATOM 430 CD2 LEU A 30 -6.831 11.379 -0.295 1.00 0.00 C ATOM 0 H LEU A 30 -5.338 13.442 -2.879 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.280 15.405 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.115 13.971 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.548 12.982 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.332 12.846 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.786 12.846 1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.018 14.458 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.430 13.452 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.210 10.814 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.870 11.341 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.749 10.943 -1.291 1.00 0.00 H new ATOM 442 N LYS A 31 -6.688 16.956 -0.706 1.00 0.00 N ATOM 443 CA LYS A 31 -6.310 17.936 0.306 1.00 0.00 C ATOM 444 C LYS A 31 -7.301 17.931 1.465 1.00 0.00 C ATOM 445 O LYS A 31 -7.370 18.885 2.240 1.00 0.00 O ATOM 446 CB LYS A 31 -6.237 19.334 -0.312 1.00 0.00 C ATOM 447 CG LYS A 31 -5.118 19.493 -1.326 1.00 0.00 C ATOM 448 CD LYS A 31 -5.573 19.108 -2.724 1.00 0.00 C ATOM 449 CE LYS A 31 -6.251 20.272 -3.430 1.00 0.00 C ATOM 450 NZ LYS A 31 -6.833 19.864 -4.738 1.00 0.00 N ATOM 0 H LYS A 31 -7.473 17.238 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.327 17.664 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.188 19.559 -0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.102 20.067 0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.771 20.526 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.271 18.872 -1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.715 18.777 -3.309 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.262 18.266 -2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.038 20.675 -2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.528 21.072 -3.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.286 20.685 -5.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.079 19.503 -5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.542 19.118 -4.585 1.00 0.00 H new ATOM 464 N LYS A 32 -8.067 16.851 1.578 1.00 0.00 N ATOM 465 CA LYS A 32 -9.054 16.721 2.644 1.00 0.00 C ATOM 466 C LYS A 32 -8.563 15.763 3.725 1.00 0.00 C ATOM 467 O LYS A 32 -7.516 15.132 3.580 1.00 0.00 O ATOM 468 CB LYS A 32 -10.386 16.226 2.076 1.00 0.00 C ATOM 469 CG LYS A 32 -10.343 14.789 1.587 1.00 0.00 C ATOM 470 CD LYS A 32 -11.730 14.277 1.239 1.00 0.00 C ATOM 471 CE LYS A 32 -11.665 13.111 0.264 1.00 0.00 C ATOM 472 NZ LYS A 32 -12.993 12.460 0.088 1.00 0.00 N ATOM 0 H LYS A 32 -8.023 16.053 0.944 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.200 17.704 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.155 16.317 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.682 16.873 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.699 14.721 0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.903 14.155 2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.242 13.964 2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.319 15.085 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.303 13.465 -0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.945 12.376 0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.906 11.671 -0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.327 12.100 1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.674 13.154 -0.280 1.00 0.00 H new ATOM 486 N ASP A 33 -9.326 15.659 4.807 1.00 0.00 N ATOM 487 CA ASP A 33 -8.970 14.775 5.912 1.00 0.00 C ATOM 488 C ASP A 33 -9.978 13.639 6.045 1.00 0.00 C ATOM 489 O ASP A 33 -11.030 13.779 6.669 1.00 0.00 O ATOM 490 CB ASP A 33 -8.895 15.564 7.220 1.00 0.00 C ATOM 491 CG ASP A 33 -10.255 16.052 7.680 1.00 0.00 C ATOM 492 OD1 ASP A 33 -11.087 16.396 6.814 1.00 0.00 O ATOM 493 OD2 ASP A 33 -10.488 16.088 8.906 1.00 0.00 O ATOM 0 H ASP A 33 -10.195 16.175 4.943 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.991 14.344 5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.456 14.936 7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.231 16.418 7.088 1.00 0.00 H new ATOM 498 N PRO A 34 -9.652 12.484 5.445 1.00 0.00 N ATOM 499 CA PRO A 34 -10.516 11.301 5.483 1.00 0.00 C ATOM 500 C PRO A 34 -10.581 10.674 6.871 1.00 0.00 C ATOM 501 O PRO A 34 -11.630 10.193 7.297 1.00 0.00 O ATOM 502 CB PRO A 34 -9.847 10.342 4.494 1.00 0.00 C ATOM 503 CG PRO A 34 -8.417 10.757 4.473 1.00 0.00 C ATOM 504 CD PRO A 34 -8.414 12.245 4.685 1.00 0.00 C ATOM 0 HA PRO A 34 -11.549 11.543 5.232 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -9.954 9.305 4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.296 10.418 3.504 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.852 10.250 5.256 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.949 10.497 3.523 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.533 12.570 5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.413 12.786 3.739 1.00 0.00 H new ATOM 512 N GLY A 35 -9.452 10.683 7.573 1.00 0.00 N ATOM 513 CA GLY A 35 -9.403 10.113 8.907 1.00 0.00 C ATOM 514 C GLY A 35 -8.136 9.317 9.151 1.00 0.00 C ATOM 515 O GLY A 35 -7.688 8.569 8.283 1.00 0.00 O ATOM 0 H GLY A 35 -8.570 11.075 7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.473 10.913 9.644 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.268 9.467 9.055 1.00 0.00 H new ATOM 519 N ASN A 36 -7.556 9.480 10.336 1.00 0.00 N ATOM 520 CA ASN A 36 -6.331 8.772 10.691 1.00 0.00 C ATOM 521 C ASN A 36 -6.475 7.274 10.437 1.00 0.00 C ATOM 522 O ASN A 36 -5.483 6.554 10.334 1.00 0.00 O ATOM 523 CB ASN A 36 -5.981 9.020 12.159 1.00 0.00 C ATOM 524 CG ASN A 36 -5.366 10.388 12.384 1.00 0.00 C ATOM 525 OD1 ASN A 36 -5.755 11.368 11.747 1.00 0.00 O ATOM 526 ND2 ASN A 36 -4.401 10.461 13.293 1.00 0.00 N ATOM 0 H ASN A 36 -7.914 10.096 11.066 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.526 9.153 10.063 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.882 8.926 12.765 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.286 8.252 12.499 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.950 11.355 13.487 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.111 9.623 13.797 1.00 0.00 H new ATOM 533 N GLU A 37 -7.718 6.814 10.336 1.00 0.00 N ATOM 534 CA GLU A 37 -7.992 5.402 10.094 1.00 0.00 C ATOM 535 C GLU A 37 -7.365 4.944 8.780 1.00 0.00 C ATOM 536 O GLU A 37 -6.730 3.891 8.716 1.00 0.00 O ATOM 537 CB GLU A 37 -9.501 5.149 10.068 1.00 0.00 C ATOM 538 CG GLU A 37 -10.133 5.381 8.706 1.00 0.00 C ATOM 539 CD GLU A 37 -11.636 5.181 8.719 1.00 0.00 C ATOM 540 OE1 GLU A 37 -12.083 4.071 9.075 1.00 0.00 O ATOM 541 OE2 GLU A 37 -12.365 6.134 8.373 1.00 0.00 O ATOM 0 H GLU A 37 -8.550 7.398 10.418 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.549 4.828 10.908 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.694 4.122 10.379 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.983 5.799 10.798 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.908 6.394 8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.686 4.700 7.981 1.00 0.00 H new ATOM 548 N VAL A 38 -7.550 5.742 7.733 1.00 0.00 N ATOM 549 CA VAL A 38 -7.003 5.419 6.421 1.00 0.00 C ATOM 550 C VAL A 38 -5.542 5.843 6.315 1.00 0.00 C ATOM 551 O VAL A 38 -4.711 5.115 5.772 1.00 0.00 O ATOM 552 CB VAL A 38 -7.806 6.099 5.296 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.945 7.590 5.564 1.00 0.00 C ATOM 554 CG2 VAL A 38 -7.148 5.851 3.947 1.00 0.00 C ATOM 0 H VAL A 38 -8.074 6.616 7.768 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.074 4.337 6.306 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.805 5.664 5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.515 8.053 4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.464 7.743 6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.955 8.044 5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.729 6.339 3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.137 6.257 3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.107 4.779 3.754 1.00 0.00 H new ATOM 564 N LYS A 39 -5.236 7.026 6.837 1.00 0.00 N ATOM 565 CA LYS A 39 -3.875 7.548 6.804 1.00 0.00 C ATOM 566 C LYS A 39 -2.885 6.522 7.347 1.00 0.00 C ATOM 567 O LYS A 39 -1.681 6.616 7.103 1.00 0.00 O ATOM 568 CB LYS A 39 -3.783 8.841 7.617 1.00 0.00 C ATOM 569 CG LYS A 39 -4.578 9.991 7.023 1.00 0.00 C ATOM 570 CD LYS A 39 -5.074 10.941 8.100 1.00 0.00 C ATOM 571 CE LYS A 39 -5.340 12.330 7.539 1.00 0.00 C ATOM 572 NZ LYS A 39 -6.054 13.196 8.517 1.00 0.00 N ATOM 0 H LYS A 39 -5.913 7.642 7.288 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.619 7.760 5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.138 8.650 8.630 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.737 9.137 7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.956 10.537 6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.427 9.597 6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.988 10.545 8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.335 11.005 8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.395 12.797 7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.932 12.246 6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.216 14.133 8.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.968 12.763 8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.478 13.297 9.377 1.00 0.00 H new ATOM 586 N LEU A 40 -3.399 5.543 8.083 1.00 0.00 N ATOM 587 CA LEU A 40 -2.560 4.498 8.659 1.00 0.00 C ATOM 588 C LEU A 40 -2.511 3.275 7.749 1.00 0.00 C ATOM 589 O LEU A 40 -1.455 2.670 7.560 1.00 0.00 O ATOM 590 CB LEU A 40 -3.085 4.099 10.039 1.00 0.00 C ATOM 591 CG LEU A 40 -2.776 5.069 11.181 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.682 4.797 12.372 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.313 4.966 11.587 1.00 0.00 C ATOM 0 H LEU A 40 -4.392 5.451 8.295 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.549 4.893 8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.166 3.979 9.974 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.671 3.124 10.295 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.965 6.084 10.831 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.448 5.496 13.175 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.723 4.922 12.074 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.526 3.777 12.723 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.111 5.663 12.400 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.098 3.950 11.918 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.681 5.211 10.734 1.00 0.00 H new ATOM 605 N LYS A 41 -3.659 2.918 7.183 1.00 0.00 N ATOM 606 CA LYS A 41 -3.747 1.770 6.289 1.00 0.00 C ATOM 607 C LYS A 41 -2.889 1.981 5.046 1.00 0.00 C ATOM 608 O LYS A 41 -2.359 1.026 4.476 1.00 0.00 O ATOM 609 CB LYS A 41 -5.202 1.526 5.882 1.00 0.00 C ATOM 610 CG LYS A 41 -5.613 2.265 4.620 1.00 0.00 C ATOM 611 CD LYS A 41 -7.122 2.267 4.441 1.00 0.00 C ATOM 612 CE LYS A 41 -7.656 0.864 4.197 1.00 0.00 C ATOM 613 NZ LYS A 41 -9.143 0.842 4.118 1.00 0.00 N ATOM 0 H LYS A 41 -4.542 3.408 7.328 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.373 0.896 6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.354 0.457 5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.855 1.830 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.250 3.292 4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.144 1.797 3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.594 2.688 5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.389 2.910 3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.237 0.472 3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.325 0.205 5.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.445 0.084 3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.538 0.671 5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.485 1.757 3.760 1.00 0.00 H new ATOM 627 N LEU A 42 -2.754 3.236 4.632 1.00 0.00 N ATOM 628 CA LEU A 42 -1.958 3.572 3.457 1.00 0.00 C ATOM 629 C LEU A 42 -0.467 3.469 3.762 1.00 0.00 C ATOM 630 O LEU A 42 0.349 3.269 2.861 1.00 0.00 O ATOM 631 CB LEU A 42 -2.295 4.985 2.976 1.00 0.00 C ATOM 632 CG LEU A 42 -3.415 5.091 1.940 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.094 4.246 0.718 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.745 4.671 2.548 1.00 0.00 C ATOM 0 H LEU A 42 -3.185 4.037 5.092 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.199 2.859 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.570 5.586 3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.393 5.428 2.554 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.495 6.131 1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.902 4.334 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.164 4.594 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.985 3.203 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.530 4.753 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.678 3.639 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.981 5.320 3.391 1.00 0.00 H new ATOM 646 N TYR A 43 -0.118 3.605 5.036 1.00 0.00 N ATOM 647 CA TYR A 43 1.275 3.527 5.460 1.00 0.00 C ATOM 648 C TYR A 43 1.669 2.087 5.774 1.00 0.00 C ATOM 649 O TYR A 43 2.805 1.677 5.538 1.00 0.00 O ATOM 650 CB TYR A 43 1.507 4.411 6.687 1.00 0.00 C ATOM 651 CG TYR A 43 2.569 3.880 7.623 1.00 0.00 C ATOM 652 CD1 TYR A 43 2.242 3.011 8.656 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.901 4.248 7.473 1.00 0.00 C ATOM 654 CE1 TYR A 43 3.209 2.525 9.514 1.00 0.00 C ATOM 655 CE2 TYR A 43 4.875 3.766 8.326 1.00 0.00 C ATOM 656 CZ TYR A 43 4.524 2.905 9.344 1.00 0.00 C ATOM 657 OH TYR A 43 5.491 2.422 10.196 1.00 0.00 O ATOM 0 H TYR A 43 -0.781 3.770 5.794 1.00 0.00 H new ATOM 0 HA TYR A 43 1.898 3.884 4.640 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.792 5.410 6.356 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.570 4.512 7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.214 2.710 8.791 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.179 4.922 6.676 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.937 1.851 10.313 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.906 4.062 8.196 1.00 0.00 H new ATOM 0 HH TYR A 43 5.231 1.533 10.515 1.00 0.00 H new ATOM 667 N ALA A 44 0.721 1.324 6.308 1.00 0.00 N ATOM 668 CA ALA A 44 0.966 -0.070 6.653 1.00 0.00 C ATOM 669 C ALA A 44 1.451 -0.859 5.441 1.00 0.00 C ATOM 670 O ALA A 44 2.428 -1.604 5.522 1.00 0.00 O ATOM 671 CB ALA A 44 -0.294 -0.702 7.227 1.00 0.00 C ATOM 0 H ALA A 44 -0.224 1.649 6.511 1.00 0.00 H new ATOM 0 HA ALA A 44 1.750 -0.098 7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.096 -1.744 7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.596 -0.162 8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.094 -0.654 6.488 1.00 0.00 H new ATOM 677 N LEU A 45 0.762 -0.690 4.318 1.00 0.00 N ATOM 678 CA LEU A 45 1.122 -1.386 3.088 1.00 0.00 C ATOM 679 C LEU A 45 2.431 -0.848 2.520 1.00 0.00 C ATOM 680 O LEU A 45 3.321 -1.614 2.149 1.00 0.00 O ATOM 681 CB LEU A 45 0.006 -1.243 2.051 1.00 0.00 C ATOM 682 CG LEU A 45 -1.221 -2.131 2.259 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.802 -3.531 2.677 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.153 -1.519 3.295 1.00 0.00 C ATOM 0 H LEU A 45 -0.049 -0.077 4.234 1.00 0.00 H new ATOM 0 HA LEU A 45 1.257 -2.442 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.321 -0.203 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.422 -1.457 1.067 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.758 -2.202 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.689 -4.149 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.175 -3.970 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.241 -3.480 3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.021 -2.165 3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.626 -1.417 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.481 -0.537 2.954 1.00 0.00 H new ATOM 696 N TYR A 46 2.543 0.475 2.456 1.00 0.00 N ATOM 697 CA TYR A 46 3.743 1.116 1.934 1.00 0.00 C ATOM 698 C TYR A 46 5.000 0.455 2.491 1.00 0.00 C ATOM 699 O TYR A 46 5.859 -0.006 1.739 1.00 0.00 O ATOM 700 CB TYR A 46 3.741 2.606 2.279 1.00 0.00 C ATOM 701 CG TYR A 46 5.048 3.301 1.969 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.432 3.548 0.656 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.900 3.709 2.988 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.625 4.182 0.368 1.00 0.00 C ATOM 705 CE2 TYR A 46 7.094 4.345 2.709 1.00 0.00 C ATOM 706 CZ TYR A 46 7.452 4.579 1.398 1.00 0.00 C ATOM 707 OH TYR A 46 8.642 5.211 1.116 1.00 0.00 O ATOM 0 H TYR A 46 1.817 1.124 2.759 1.00 0.00 H new ATOM 0 HA TYR A 46 3.744 1.001 0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.939 3.097 1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.519 2.725 3.339 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.787 3.239 -0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.624 3.526 4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.909 4.366 -0.658 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.744 4.657 3.513 1.00 0.00 H new ATOM 0 HH TYR A 46 9.105 5.425 1.953 1.00 0.00 H new ATOM 717 N LYS A 47 5.101 0.413 3.815 1.00 0.00 N ATOM 718 CA LYS A 47 6.251 -0.193 4.476 1.00 0.00 C ATOM 719 C LYS A 47 6.266 -1.704 4.267 1.00 0.00 C ATOM 720 O LYS A 47 7.270 -2.365 4.529 1.00 0.00 O ATOM 721 CB LYS A 47 6.231 0.125 5.973 1.00 0.00 C ATOM 722 CG LYS A 47 6.128 1.610 6.278 1.00 0.00 C ATOM 723 CD LYS A 47 7.473 2.303 6.136 1.00 0.00 C ATOM 724 CE LYS A 47 8.243 2.300 7.447 1.00 0.00 C ATOM 725 NZ LYS A 47 9.400 3.236 7.413 1.00 0.00 N ATOM 0 H LYS A 47 4.400 0.792 4.452 1.00 0.00 H new ATOM 0 HA LYS A 47 7.155 0.226 4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.389 -0.391 6.434 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.137 -0.270 6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.407 2.072 5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.751 1.749 7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.061 1.803 5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.321 3.330 5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.574 2.579 8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.598 1.291 7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.899 3.205 8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.051 2.955 6.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.059 4.203 7.238 1.00 0.00 H new ATOM 739 N GLN A 48 5.147 -2.242 3.792 1.00 0.00 N ATOM 740 CA GLN A 48 5.033 -3.675 3.547 1.00 0.00 C ATOM 741 C GLN A 48 5.477 -4.022 2.130 1.00 0.00 C ATOM 742 O GLN A 48 5.952 -5.127 1.871 1.00 0.00 O ATOM 743 CB GLN A 48 3.593 -4.139 3.771 1.00 0.00 C ATOM 744 CG GLN A 48 3.459 -5.643 3.948 1.00 0.00 C ATOM 745 CD GLN A 48 3.601 -6.076 5.394 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.536 -5.255 6.309 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.798 -7.371 5.607 1.00 0.00 N ATOM 0 H GLN A 48 4.307 -1.708 3.569 1.00 0.00 H new ATOM 0 HA GLN A 48 5.687 -4.191 4.250 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.193 -3.641 4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.983 -3.825 2.924 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.488 -5.964 3.570 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.217 -6.145 3.346 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.845 -8.016 4.818 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.902 -7.721 6.559 1.00 0.00 H new ATOM 756 N ALA A 49 5.318 -3.070 1.215 1.00 0.00 N ATOM 757 CA ALA A 49 5.703 -3.275 -0.175 1.00 0.00 C ATOM 758 C ALA A 49 7.077 -2.676 -0.458 1.00 0.00 C ATOM 759 O ALA A 49 7.488 -2.555 -1.612 1.00 0.00 O ATOM 760 CB ALA A 49 4.661 -2.673 -1.106 1.00 0.00 C ATOM 0 H ALA A 49 4.925 -2.150 1.413 1.00 0.00 H new ATOM 0 HA ALA A 49 5.759 -4.348 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.962 -2.834 -2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.697 -3.150 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.577 -1.603 -0.915 1.00 0.00 H new ATOM 766 N THR A 50 7.784 -2.302 0.604 1.00 0.00 N ATOM 767 CA THR A 50 9.111 -1.714 0.470 1.00 0.00 C ATOM 768 C THR A 50 10.104 -2.376 1.417 1.00 0.00 C ATOM 769 O THR A 50 11.250 -2.631 1.049 1.00 0.00 O ATOM 770 CB THR A 50 9.085 -0.199 0.749 1.00 0.00 C ATOM 771 OG1 THR A 50 8.596 0.047 2.072 1.00 0.00 O ATOM 772 CG2 THR A 50 8.208 0.523 -0.263 1.00 0.00 C ATOM 0 H THR A 50 7.460 -2.396 1.566 1.00 0.00 H new ATOM 0 HA THR A 50 9.428 -1.881 -0.559 1.00 0.00 H new ATOM 0 HB THR A 50 10.103 0.182 0.661 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.617 0.082 2.058 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.205 1.591 -0.046 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.599 0.358 -1.267 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.190 0.138 -0.203 1.00 0.00 H new ATOM 780 N GLU A 51 9.657 -2.653 2.638 1.00 0.00 N ATOM 781 CA GLU A 51 10.508 -3.287 3.638 1.00 0.00 C ATOM 782 C GLU A 51 10.048 -4.714 3.919 1.00 0.00 C ATOM 783 O GLU A 51 10.863 -5.615 4.109 1.00 0.00 O ATOM 784 CB GLU A 51 10.504 -2.473 4.933 1.00 0.00 C ATOM 785 CG GLU A 51 10.688 -0.981 4.715 1.00 0.00 C ATOM 786 CD GLU A 51 10.933 -0.228 6.009 1.00 0.00 C ATOM 787 OE1 GLU A 51 10.018 -0.197 6.859 1.00 0.00 O ATOM 788 OE2 GLU A 51 12.038 0.330 6.171 1.00 0.00 O ATOM 0 H GLU A 51 8.710 -2.448 2.958 1.00 0.00 H new ATOM 0 HA GLU A 51 11.523 -3.323 3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.562 -2.642 5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.299 -2.837 5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.527 -0.817 4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.802 -0.577 4.226 1.00 0.00 H new ATOM 795 N GLY A 52 8.733 -4.911 3.944 1.00 0.00 N ATOM 796 CA GLY A 52 8.186 -6.230 4.204 1.00 0.00 C ATOM 797 C GLY A 52 7.362 -6.276 5.475 1.00 0.00 C ATOM 798 O GLY A 52 6.681 -5.315 5.834 1.00 0.00 O ATOM 0 H GLY A 52 8.037 -4.181 3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.566 -6.535 3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.001 -6.950 4.277 1.00 0.00 H new ATOM 802 N PRO A 53 7.417 -7.416 6.180 1.00 0.00 N ATOM 803 CA PRO A 53 6.676 -7.611 7.429 1.00 0.00 C ATOM 804 C PRO A 53 7.229 -6.765 8.570 1.00 0.00 C ATOM 805 O PRO A 53 8.440 -6.570 8.680 1.00 0.00 O ATOM 806 CB PRO A 53 6.868 -9.101 7.727 1.00 0.00 C ATOM 807 CG PRO A 53 8.141 -9.462 7.043 1.00 0.00 C ATOM 808 CD PRO A 53 8.209 -8.602 5.812 1.00 0.00 C ATOM 0 HA PRO A 53 5.632 -7.312 7.334 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.928 -9.286 8.800 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.034 -9.691 7.348 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.998 -9.282 7.693 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.157 -10.520 6.781 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.237 -8.337 5.563 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.791 -9.110 4.943 1.00 0.00 H new ATOM 816 N CYS A 54 6.336 -6.264 9.417 1.00 0.00 N ATOM 817 CA CYS A 54 6.735 -5.438 10.550 1.00 0.00 C ATOM 818 C CYS A 54 8.013 -5.972 11.189 1.00 0.00 C ATOM 819 O CYS A 54 7.983 -6.951 11.933 1.00 0.00 O ATOM 820 CB CYS A 54 5.614 -5.384 11.589 1.00 0.00 C ATOM 821 SG CYS A 54 6.141 -4.786 13.212 1.00 0.00 S ATOM 0 H CYS A 54 5.330 -6.416 9.340 1.00 0.00 H new ATOM 0 HA CYS A 54 6.928 -4.430 10.183 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.819 -4.739 11.216 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.189 -6.381 11.701 1.00 0.00 H new ATOM 0 HG CYS A 54 5.124 -4.774 14.021 1.00 0.00 H new ATOM 827 N ASN A 55 9.134 -5.322 10.892 1.00 0.00 N ATOM 828 CA ASN A 55 10.423 -5.734 11.436 1.00 0.00 C ATOM 829 C ASN A 55 11.016 -4.638 12.316 1.00 0.00 C ATOM 830 O ASN A 55 12.214 -4.637 12.601 1.00 0.00 O ATOM 831 CB ASN A 55 11.393 -6.075 10.303 1.00 0.00 C ATOM 832 CG ASN A 55 11.111 -5.280 9.042 1.00 0.00 C ATOM 833 OD1 ASN A 55 10.628 -5.821 8.048 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.414 -3.987 9.079 1.00 0.00 N ATOM 0 H ASN A 55 9.176 -4.508 10.278 1.00 0.00 H new ATOM 0 HA ASN A 55 10.265 -6.622 12.048 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.414 -5.880 10.631 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.327 -7.140 10.080 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.248 -3.401 8.261 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.813 -3.581 9.925 1.00 0.00 H new ATOM 841 N MET A 56 10.170 -3.707 12.744 1.00 0.00 N ATOM 842 CA MET A 56 10.611 -2.607 13.594 1.00 0.00 C ATOM 843 C MET A 56 10.293 -2.890 15.059 1.00 0.00 C ATOM 844 O MET A 56 9.391 -3.661 15.385 1.00 0.00 O ATOM 845 CB MET A 56 9.944 -1.300 13.159 1.00 0.00 C ATOM 846 CG MET A 56 8.450 -1.432 12.916 1.00 0.00 C ATOM 847 SD MET A 56 7.642 0.162 12.674 1.00 0.00 S ATOM 848 CE MET A 56 8.361 1.112 14.012 1.00 0.00 C ATOM 0 H MET A 56 9.176 -3.692 12.516 1.00 0.00 H new ATOM 0 HA MET A 56 11.691 -2.509 13.488 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.114 -0.543 13.924 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.422 -0.944 12.247 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.282 -2.057 12.039 1.00 0.00 H new ATOM 0 HG3 MET A 56 7.992 -1.942 13.763 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.712 1.955 14.249 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.468 0.478 14.892 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.341 1.482 13.710 1.00 0.00 H new ATOM 858 N PRO A 57 11.052 -2.253 15.963 1.00 0.00 N ATOM 859 CA PRO A 57 10.870 -2.421 17.408 1.00 0.00 C ATOM 860 C PRO A 57 9.574 -1.791 17.906 1.00 0.00 C ATOM 861 O PRO A 57 9.247 -0.657 17.554 1.00 0.00 O ATOM 862 CB PRO A 57 12.080 -1.698 18.005 1.00 0.00 C ATOM 863 CG PRO A 57 12.467 -0.694 16.974 1.00 0.00 C ATOM 864 CD PRO A 57 12.145 -1.320 15.645 1.00 0.00 C ATOM 0 HA PRO A 57 10.802 -3.472 17.691 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.828 -1.218 18.950 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.896 -2.392 18.208 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.917 0.237 17.110 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.527 -0.451 17.044 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.836 -0.573 14.914 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.007 -1.839 15.226 1.00 0.00 H new ATOM 872 N LYS A 58 8.838 -2.532 18.728 1.00 0.00 N ATOM 873 CA LYS A 58 7.578 -2.046 19.277 1.00 0.00 C ATOM 874 C LYS A 58 7.803 -0.812 20.146 1.00 0.00 C ATOM 875 O LYS A 58 8.509 -0.854 21.154 1.00 0.00 O ATOM 876 CB LYS A 58 6.898 -3.144 20.097 1.00 0.00 C ATOM 877 CG LYS A 58 5.453 -2.833 20.450 1.00 0.00 C ATOM 878 CD LYS A 58 4.759 -4.036 21.066 1.00 0.00 C ATOM 879 CE LYS A 58 3.614 -3.613 21.975 1.00 0.00 C ATOM 880 NZ LYS A 58 4.082 -3.326 23.359 1.00 0.00 N ATOM 0 H LYS A 58 9.093 -3.473 19.029 1.00 0.00 H new ATOM 0 HA LYS A 58 6.930 -1.769 18.445 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.933 -4.079 19.537 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.462 -3.301 21.016 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.420 -1.996 21.147 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.917 -2.522 19.553 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.378 -4.682 20.275 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.480 -4.621 21.636 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.132 -2.726 21.563 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.862 -4.401 22.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.273 -3.041 23.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.519 -4.179 23.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.781 -2.556 23.336 1.00 0.00 H new ATOM 894 N PRO A 59 7.188 0.312 19.750 1.00 0.00 N ATOM 895 CA PRO A 59 7.305 1.578 20.480 1.00 0.00 C ATOM 896 C PRO A 59 6.584 1.540 21.823 1.00 0.00 C ATOM 897 O PRO A 59 5.744 0.674 22.064 1.00 0.00 O ATOM 898 CB PRO A 59 6.640 2.590 19.544 1.00 0.00 C ATOM 899 CG PRO A 59 5.690 1.784 18.728 1.00 0.00 C ATOM 900 CD PRO A 59 6.331 0.434 18.558 1.00 0.00 C ATOM 0 HA PRO A 59 8.341 1.817 20.720 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.120 3.366 20.105 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.376 3.091 18.915 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.724 1.697 19.226 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.509 2.255 17.762 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.587 -0.362 18.514 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.912 0.378 17.638 1.00 0.00 H new ATOM 908 N GLY A 60 6.917 2.487 22.696 1.00 0.00 N ATOM 909 CA GLY A 60 6.292 2.544 24.004 1.00 0.00 C ATOM 910 C GLY A 60 4.973 3.292 23.984 1.00 0.00 C ATOM 911 O GLY A 60 4.712 4.080 23.075 1.00 0.00 O ATOM 0 H GLY A 60 7.609 3.216 22.520 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.126 1.530 24.368 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.970 3.028 24.707 1.00 0.00 H new ATOM 915 N VAL A 61 4.139 3.043 24.988 1.00 0.00 N ATOM 916 CA VAL A 61 2.840 3.699 25.082 1.00 0.00 C ATOM 917 C VAL A 61 2.966 5.203 24.870 1.00 0.00 C ATOM 918 O VAL A 61 2.308 5.776 24.001 1.00 0.00 O ATOM 919 CB VAL A 61 2.177 3.438 26.448 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.699 1.997 26.543 1.00 0.00 C ATOM 921 CG2 VAL A 61 3.141 3.764 27.578 1.00 0.00 C ATOM 0 H VAL A 61 4.339 2.392 25.747 1.00 0.00 H new ATOM 0 HA VAL A 61 2.215 3.276 24.296 1.00 0.00 H new ATOM 0 HB VAL A 61 1.309 4.090 26.542 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.234 1.831 27.515 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.972 1.802 25.754 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.548 1.324 26.428 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.657 3.574 28.536 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.029 3.138 27.490 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.429 4.814 27.519 1.00 0.00 H new ATOM 931 N PHE A 62 3.817 5.838 25.669 1.00 0.00 N ATOM 932 CA PHE A 62 4.030 7.277 25.570 1.00 0.00 C ATOM 933 C PHE A 62 4.105 7.716 24.110 1.00 0.00 C ATOM 934 O PHE A 62 3.672 8.813 23.757 1.00 0.00 O ATOM 935 CB PHE A 62 5.313 7.676 26.301 1.00 0.00 C ATOM 936 CG PHE A 62 5.117 7.910 27.771 1.00 0.00 C ATOM 937 CD1 PHE A 62 4.828 6.855 28.622 1.00 0.00 C ATOM 938 CD2 PHE A 62 5.221 9.186 28.303 1.00 0.00 C ATOM 939 CE1 PHE A 62 4.647 7.067 29.976 1.00 0.00 C ATOM 940 CE2 PHE A 62 5.042 9.403 29.656 1.00 0.00 C ATOM 941 CZ PHE A 62 4.754 8.343 30.493 1.00 0.00 C ATOM 0 H PHE A 62 4.370 5.379 26.392 1.00 0.00 H new ATOM 0 HA PHE A 62 3.183 7.778 26.039 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.059 6.894 26.162 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.713 8.583 25.847 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.743 5.855 28.223 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.444 10.019 27.653 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.422 6.236 30.628 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.127 10.401 30.059 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.613 8.512 31.550 1.00 0.00 H new ATOM 951 N ASP A 63 4.659 6.852 23.267 1.00 0.00 N ATOM 952 CA ASP A 63 4.792 7.149 21.845 1.00 0.00 C ATOM 953 C ASP A 63 3.536 6.735 21.084 1.00 0.00 C ATOM 954 O ASP A 63 3.542 5.749 20.346 1.00 0.00 O ATOM 955 CB ASP A 63 6.014 6.435 21.265 1.00 0.00 C ATOM 956 CG ASP A 63 7.293 7.224 21.462 1.00 0.00 C ATOM 957 OD1 ASP A 63 7.438 7.865 22.525 1.00 0.00 O ATOM 958 OD2 ASP A 63 8.151 7.200 20.555 1.00 0.00 O ATOM 0 H ASP A 63 5.023 5.940 23.543 1.00 0.00 H new ATOM 0 HA ASP A 63 4.924 8.225 21.734 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.117 5.457 21.736 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.858 6.261 20.200 1.00 0.00 H new ATOM 963 N LEU A 64 2.462 7.493 21.270 1.00 0.00 N ATOM 964 CA LEU A 64 1.197 7.205 20.601 1.00 0.00 C ATOM 965 C LEU A 64 1.342 7.325 19.088 1.00 0.00 C ATOM 966 O LEU A 64 0.771 6.534 18.335 1.00 0.00 O ATOM 967 CB LEU A 64 0.107 8.156 21.098 1.00 0.00 C ATOM 968 CG LEU A 64 0.067 8.402 22.606 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.045 9.378 22.959 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.115 7.090 23.356 1.00 0.00 C ATOM 0 H LEU A 64 2.441 8.312 21.878 1.00 0.00 H new ATOM 0 HA LEU A 64 0.913 6.180 20.840 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.234 9.116 20.597 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.861 7.761 20.789 1.00 0.00 H new ATOM 0 HG LEU A 64 1.018 8.842 22.908 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.058 9.541 24.037 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.871 10.327 22.451 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.004 8.967 22.643 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.141 7.284 24.428 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.050 6.622 23.049 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.716 6.423 23.129 1.00 0.00 H new ATOM 982 N ILE A 65 2.110 8.316 18.648 1.00 0.00 N ATOM 983 CA ILE A 65 2.332 8.537 17.225 1.00 0.00 C ATOM 984 C ILE A 65 2.921 7.297 16.562 1.00 0.00 C ATOM 985 O ILE A 65 2.405 6.813 15.555 1.00 0.00 O ATOM 986 CB ILE A 65 3.272 9.732 16.980 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.511 11.049 17.142 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.895 9.641 15.595 1.00 0.00 C ATOM 989 CD1 ILE A 65 3.364 12.179 17.673 1.00 0.00 C ATOM 0 H ILE A 65 2.589 8.979 19.257 1.00 0.00 H new ATOM 0 HA ILE A 65 1.359 8.755 16.784 1.00 0.00 H new ATOM 0 HB ILE A 65 4.072 9.703 17.719 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.096 11.340 16.177 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.669 10.892 17.817 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.557 10.493 15.437 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.467 8.717 15.513 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.108 9.648 14.841 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.759 13.081 17.762 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.758 11.908 18.653 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.191 12.363 16.988 1.00 0.00 H new ATOM 1001 N ASN A 66 4.006 6.785 17.135 1.00 0.00 N ATOM 1002 CA ASN A 66 4.666 5.599 16.600 1.00 0.00 C ATOM 1003 C ASN A 66 3.795 4.361 16.788 1.00 0.00 C ATOM 1004 O ASN A 66 3.661 3.539 15.881 1.00 0.00 O ATOM 1005 CB ASN A 66 6.020 5.392 17.282 1.00 0.00 C ATOM 1006 CG ASN A 66 7.073 6.362 16.781 1.00 0.00 C ATOM 1007 OD1 ASN A 66 8.069 5.957 16.180 1.00 0.00 O ATOM 1008 ND2 ASN A 66 6.858 7.649 17.028 1.00 0.00 N ATOM 0 H ASN A 66 4.447 7.173 17.969 1.00 0.00 H new ATOM 0 HA ASN A 66 4.824 5.752 15.532 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.903 5.511 18.359 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.359 4.371 17.109 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.532 8.348 16.716 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.018 7.939 17.530 1.00 0.00 H new ATOM 1015 N LYS A 67 3.203 4.234 17.971 1.00 0.00 N ATOM 1016 CA LYS A 67 2.343 3.098 18.279 1.00 0.00 C ATOM 1017 C LYS A 67 1.197 2.996 17.278 1.00 0.00 C ATOM 1018 O LYS A 67 0.758 1.900 16.931 1.00 0.00 O ATOM 1019 CB LYS A 67 1.785 3.224 19.698 1.00 0.00 C ATOM 1020 CG LYS A 67 1.358 1.898 20.304 1.00 0.00 C ATOM 1021 CD LYS A 67 2.548 0.980 20.530 1.00 0.00 C ATOM 1022 CE LYS A 67 2.209 -0.142 21.499 1.00 0.00 C ATOM 1023 NZ LYS A 67 1.157 -1.046 20.956 1.00 0.00 N ATOM 0 H LYS A 67 3.303 4.905 18.733 1.00 0.00 H new ATOM 0 HA LYS A 67 2.944 2.191 18.211 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.541 3.679 20.338 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.930 3.900 19.684 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.850 2.077 21.252 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.640 1.410 19.645 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.868 0.556 19.578 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.386 1.558 20.919 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.108 -0.719 21.715 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.870 0.284 22.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.979 -1.816 21.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.280 -0.507 20.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.477 -1.446 20.051 1.00 0.00 H new ATOM 1037 N ALA A 68 0.717 4.146 16.815 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.375 4.186 15.851 1.00 0.00 C ATOM 1039 C ALA A 68 0.006 3.471 14.559 1.00 0.00 C ATOM 1040 O ALA A 68 -0.794 2.729 13.988 1.00 0.00 O ATOM 1041 CB ALA A 68 -0.772 5.626 15.562 1.00 0.00 C ATOM 0 H ALA A 68 1.068 5.063 17.093 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.229 3.666 16.285 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.589 5.640 14.840 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.095 6.107 16.485 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.083 6.164 15.153 1.00 0.00 H new ATOM 1047 N LYS A 69 1.233 3.699 14.103 1.00 0.00 N ATOM 1048 CA LYS A 69 1.722 3.077 12.878 1.00 0.00 C ATOM 1049 C LYS A 69 2.077 1.613 13.116 1.00 0.00 C ATOM 1050 O LYS A 69 1.705 0.739 12.333 1.00 0.00 O ATOM 1051 CB LYS A 69 2.945 3.831 12.352 1.00 0.00 C ATOM 1052 CG LYS A 69 2.597 5.005 11.454 1.00 0.00 C ATOM 1053 CD LYS A 69 2.338 6.266 12.262 1.00 0.00 C ATOM 1054 CE LYS A 69 1.750 7.371 11.397 1.00 0.00 C ATOM 1055 NZ LYS A 69 1.135 8.450 12.219 1.00 0.00 N ATOM 0 H LYS A 69 1.907 4.310 14.564 1.00 0.00 H new ATOM 0 HA LYS A 69 0.927 3.123 12.134 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.530 4.192 13.198 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.579 3.137 11.799 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.412 5.182 10.752 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.714 4.763 10.862 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.655 6.041 13.081 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.270 6.610 12.710 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.532 7.795 10.768 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.998 6.949 10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.746 9.184 11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.371 8.050 12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.858 8.870 12.837 1.00 0.00 H new ATOM 1069 N TRP A 70 2.797 1.352 14.201 1.00 0.00 N ATOM 1070 CA TRP A 70 3.201 -0.007 14.542 1.00 0.00 C ATOM 1071 C TRP A 70 2.026 -0.971 14.420 1.00 0.00 C ATOM 1072 O TRP A 70 2.163 -2.066 13.874 1.00 0.00 O ATOM 1073 CB TRP A 70 3.768 -0.051 15.962 1.00 0.00 C ATOM 1074 CG TRP A 70 4.684 -1.213 16.200 1.00 0.00 C ATOM 1075 CD1 TRP A 70 6.000 -1.305 15.847 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.352 -2.449 16.841 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.506 -2.523 16.231 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.515 -3.244 16.843 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.185 -2.962 17.416 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.543 -4.521 17.396 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.214 -4.230 17.964 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.386 -4.998 17.952 1.00 0.00 C ATOM 0 H TRP A 70 3.113 2.064 14.860 1.00 0.00 H new ATOM 0 HA TRP A 70 3.975 -0.317 13.840 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.309 0.875 16.158 1.00 0.00 H new ATOM 0 HB3 TRP A 70 2.944 -0.096 16.674 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.561 -0.533 15.340 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.465 -2.839 16.084 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.277 -2.377 17.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.445 -5.115 17.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.318 -4.636 18.409 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.377 -5.985 18.390 1.00 0.00 H new ATOM 1093 N ASP A 71 0.872 -0.557 14.932 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.328 -1.384 14.878 1.00 0.00 C ATOM 1095 C ASP A 71 -0.847 -1.497 13.448 1.00 0.00 C ATOM 1096 O ASP A 71 -1.518 -2.467 13.096 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.415 -0.803 15.784 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.240 -1.212 17.234 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -0.509 -0.511 17.964 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -1.833 -2.234 17.638 1.00 0.00 O ATOM 0 H ASP A 71 0.742 0.346 15.389 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.067 -2.382 15.230 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.401 0.285 15.712 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.392 -1.133 15.432 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.533 -0.499 12.630 1.00 0.00 N ATOM 1106 CA ALA A 72 -0.967 -0.486 11.238 1.00 0.00 C ATOM 1107 C ALA A 72 -0.112 -1.420 10.388 1.00 0.00 C ATOM 1108 O ALA A 72 -0.635 -2.247 9.641 1.00 0.00 O ATOM 1109 CB ALA A 72 -0.918 0.929 10.682 1.00 0.00 C ATOM 0 H ALA A 72 0.021 0.312 12.907 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.996 -0.843 11.201 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.245 0.923 9.642 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.577 1.572 11.266 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.103 1.307 10.739 1.00 0.00 H new ATOM 1115 N TRP A 73 1.204 -1.283 10.507 1.00 0.00 N ATOM 1116 CA TRP A 73 2.131 -2.115 9.749 1.00 0.00 C ATOM 1117 C TRP A 73 2.194 -3.525 10.325 1.00 0.00 C ATOM 1118 O TRP A 73 2.282 -4.504 9.586 1.00 0.00 O ATOM 1119 CB TRP A 73 3.526 -1.488 9.747 1.00 0.00 C ATOM 1120 CG TRP A 73 4.506 -2.222 8.883 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.226 -3.212 7.985 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.923 -2.025 8.837 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.383 -3.643 7.383 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.439 -2.930 7.887 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.807 -1.172 9.503 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.797 -3.004 7.591 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.155 -1.247 9.208 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.640 -2.157 8.258 1.00 0.00 C ATOM 0 H TRP A 73 1.653 -0.604 11.121 1.00 0.00 H new ATOM 0 HA TRP A 73 1.768 -2.179 8.723 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.452 -0.456 9.404 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.905 -1.458 10.769 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.239 -3.599 7.778 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.446 -4.375 6.676 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.443 -0.467 10.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.172 -3.705 6.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.847 -0.593 9.718 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.699 -2.190 8.049 1.00 0.00 H new ATOM 1139 N ASN A 74 2.148 -3.621 11.650 1.00 0.00 N ATOM 1140 CA ASN A 74 2.200 -4.912 12.325 1.00 0.00 C ATOM 1141 C ASN A 74 1.072 -5.822 11.847 1.00 0.00 C ATOM 1142 O ASN A 74 1.313 -6.942 11.398 1.00 0.00 O ATOM 1143 CB ASN A 74 2.109 -4.723 13.841 1.00 0.00 C ATOM 1144 CG ASN A 74 2.020 -6.042 14.584 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.398 -7.089 14.059 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.518 -5.996 15.812 1.00 0.00 N ATOM 0 H ASN A 74 2.075 -2.820 12.277 1.00 0.00 H new ATOM 0 HA ASN A 74 3.152 -5.383 12.080 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.983 -4.172 14.189 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.235 -4.117 14.077 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.433 -6.852 16.361 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.217 -5.105 16.207 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.159 -5.331 11.946 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.323 -6.098 11.521 1.00 0.00 C ATOM 1155 C ALA A 75 -0.997 -6.966 10.310 1.00 0.00 C ATOM 1156 O ALA A 75 -1.238 -8.174 10.316 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.484 -5.166 11.207 1.00 0.00 C ATOM 0 H ALA A 75 -0.376 -4.406 12.317 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.611 -6.757 12.340 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.346 -5.753 10.891 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.742 -4.593 12.098 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.197 -4.484 10.407 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.448 -6.344 9.273 1.00 0.00 N ATOM 1164 CA LEU A 76 -0.089 -7.060 8.053 1.00 0.00 C ATOM 1165 C LEU A 76 0.547 -8.407 8.380 1.00 0.00 C ATOM 1166 O LEU A 76 0.145 -9.440 7.847 1.00 0.00 O ATOM 1167 CB LEU A 76 0.871 -6.220 7.210 1.00 0.00 C ATOM 1168 CG LEU A 76 0.232 -5.128 6.351 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.435 -5.734 5.127 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.772 -4.328 7.167 1.00 0.00 C ATOM 0 H LEU A 76 -0.241 -5.345 9.252 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.001 -7.239 7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.594 -5.752 7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.428 -6.890 6.555 1.00 0.00 H new ATOM 0 HG LEU A 76 1.017 -4.451 6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.884 -4.942 4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.309 -6.262 4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.209 -6.433 5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.217 -3.555 6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.554 -4.992 7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.265 -3.862 8.012 1.00 0.00 H new ATOM 1182 N GLY A 77 1.541 -8.388 9.263 1.00 0.00 N ATOM 1183 CA GLY A 77 2.216 -9.614 9.647 1.00 0.00 C ATOM 1184 C GLY A 77 3.183 -10.101 8.586 1.00 0.00 C ATOM 1185 O GLY A 77 3.988 -9.327 8.069 1.00 0.00 O ATOM 0 H GLY A 77 1.891 -7.545 9.719 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.757 -9.451 10.579 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.474 -10.388 9.840 1.00 0.00 H new ATOM 1189 N SER A 78 3.105 -11.388 8.263 1.00 0.00 N ATOM 1190 CA SER A 78 3.984 -11.979 7.261 1.00 0.00 C ATOM 1191 C SER A 78 3.412 -11.793 5.859 1.00 0.00 C ATOM 1192 O SER A 78 3.520 -12.678 5.009 1.00 0.00 O ATOM 1193 CB SER A 78 4.191 -13.467 7.547 1.00 0.00 C ATOM 1194 OG SER A 78 4.738 -13.667 8.839 1.00 0.00 O ATOM 0 H SER A 78 2.442 -12.041 8.681 1.00 0.00 H new ATOM 0 HA SER A 78 4.946 -11.470 7.312 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.239 -13.992 7.467 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.856 -13.896 6.797 1.00 0.00 H new ATOM 0 HG SER A 78 4.859 -14.626 8.998 1.00 0.00 H new ATOM 1200 N LEU A 79 2.802 -10.636 5.624 1.00 0.00 N ATOM 1201 CA LEU A 79 2.212 -10.333 4.325 1.00 0.00 C ATOM 1202 C LEU A 79 3.293 -10.039 3.290 1.00 0.00 C ATOM 1203 O LEU A 79 4.146 -9.171 3.477 1.00 0.00 O ATOM 1204 CB LEU A 79 1.263 -9.139 4.441 1.00 0.00 C ATOM 1205 CG LEU A 79 0.309 -8.923 3.265 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.089 -8.640 1.990 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.595 -10.133 3.082 1.00 0.00 C ATOM 0 H LEU A 79 2.703 -9.893 6.316 1.00 0.00 H new ATOM 0 HA LEU A 79 1.649 -11.207 3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.669 -9.259 5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.861 -8.236 4.569 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.316 -8.057 3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.394 -8.489 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.693 -7.743 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.740 -9.485 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.267 -9.961 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.014 -11.016 2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.180 -10.290 3.988 1.00 0.00 H new ATOM 1219 N PRO A 80 3.258 -10.777 2.171 1.00 0.00 N ATOM 1220 CA PRO A 80 4.226 -10.611 1.083 1.00 0.00 C ATOM 1221 C PRO A 80 4.041 -9.294 0.337 1.00 0.00 C ATOM 1222 O PRO A 80 2.918 -8.824 0.155 1.00 0.00 O ATOM 1223 CB PRO A 80 3.928 -11.795 0.159 1.00 0.00 C ATOM 1224 CG PRO A 80 2.502 -12.134 0.427 1.00 0.00 C ATOM 1225 CD PRO A 80 2.270 -11.829 1.881 1.00 0.00 C ATOM 0 HA PRO A 80 5.252 -10.587 1.451 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.082 -11.530 -0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.583 -12.639 0.374 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.836 -11.548 -0.206 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.303 -13.184 0.212 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.252 -11.485 2.062 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.425 -12.709 2.506 1.00 0.00 H new ATOM 1233 N LYS A 81 5.151 -8.702 -0.092 1.00 0.00 N ATOM 1234 CA LYS A 81 5.112 -7.439 -0.820 1.00 0.00 C ATOM 1235 C LYS A 81 4.109 -7.503 -1.968 1.00 0.00 C ATOM 1236 O LYS A 81 3.302 -6.592 -2.150 1.00 0.00 O ATOM 1237 CB LYS A 81 6.501 -7.095 -1.361 1.00 0.00 C ATOM 1238 CG LYS A 81 7.528 -6.828 -0.275 1.00 0.00 C ATOM 1239 CD LYS A 81 8.946 -6.923 -0.812 1.00 0.00 C ATOM 1240 CE LYS A 81 9.971 -6.566 0.253 1.00 0.00 C ATOM 1241 NZ LYS A 81 11.356 -6.541 -0.295 1.00 0.00 N ATOM 0 H LYS A 81 6.089 -9.077 0.052 1.00 0.00 H new ATOM 0 HA LYS A 81 4.795 -6.659 -0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.851 -7.916 -1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.425 -6.216 -2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.363 -5.836 0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.396 -7.545 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.132 -7.934 -1.173 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.058 -6.254 -1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.730 -5.591 0.676 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.916 -7.289 1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.025 -6.294 0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.596 -7.479 -0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.416 -5.833 -1.055 1.00 0.00 H new ATOM 1255 N GLU A 82 4.166 -8.585 -2.737 1.00 0.00 N ATOM 1256 CA GLU A 82 3.261 -8.767 -3.867 1.00 0.00 C ATOM 1257 C GLU A 82 1.840 -8.353 -3.497 1.00 0.00 C ATOM 1258 O GLU A 82 1.239 -7.503 -4.154 1.00 0.00 O ATOM 1259 CB GLU A 82 3.275 -10.225 -4.330 1.00 0.00 C ATOM 1260 CG GLU A 82 4.574 -10.639 -5.000 1.00 0.00 C ATOM 1261 CD GLU A 82 4.589 -12.104 -5.391 1.00 0.00 C ATOM 1262 OE1 GLU A 82 4.784 -12.955 -4.498 1.00 0.00 O ATOM 1263 OE2 GLU A 82 4.404 -12.399 -6.591 1.00 0.00 O ATOM 0 H GLU A 82 4.828 -9.348 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 82 3.606 -8.131 -4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.097 -10.872 -3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.451 -10.384 -5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.730 -10.028 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.406 -10.439 -4.325 1.00 0.00 H new ATOM 1270 N ALA A 83 1.308 -8.960 -2.441 1.00 0.00 N ATOM 1271 CA ALA A 83 -0.041 -8.654 -1.983 1.00 0.00 C ATOM 1272 C ALA A 83 -0.117 -7.247 -1.400 1.00 0.00 C ATOM 1273 O ALA A 83 -1.078 -6.516 -1.639 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.495 -9.679 -0.955 1.00 0.00 C ATOM 0 H ALA A 83 1.791 -9.667 -1.887 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.709 -8.699 -2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.504 -9.438 -0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.489 -10.672 -1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.182 -9.663 -0.101 1.00 0.00 H new ATOM 1280 N ALA A 84 0.902 -6.874 -0.633 1.00 0.00 N ATOM 1281 CA ALA A 84 0.951 -5.554 -0.016 1.00 0.00 C ATOM 1282 C ALA A 84 0.689 -4.458 -1.043 1.00 0.00 C ATOM 1283 O ALA A 84 -0.174 -3.603 -0.846 1.00 0.00 O ATOM 1284 CB ALA A 84 2.297 -5.336 0.659 1.00 0.00 C ATOM 0 H ALA A 84 1.705 -7.467 -0.424 1.00 0.00 H new ATOM 0 HA ALA A 84 0.166 -5.504 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.319 -4.346 1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.445 -6.094 1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.092 -5.412 -0.082 1.00 0.00 H new ATOM 1290 N ARG A 85 1.439 -4.490 -2.140 1.00 0.00 N ATOM 1291 CA ARG A 85 1.289 -3.497 -3.197 1.00 0.00 C ATOM 1292 C ARG A 85 -0.139 -3.490 -3.737 1.00 0.00 C ATOM 1293 O ARG A 85 -0.684 -2.435 -4.060 1.00 0.00 O ATOM 1294 CB ARG A 85 2.273 -3.779 -4.334 1.00 0.00 C ATOM 1295 CG ARG A 85 3.643 -3.155 -4.122 1.00 0.00 C ATOM 1296 CD ARG A 85 4.429 -3.083 -5.422 1.00 0.00 C ATOM 1297 NE ARG A 85 5.221 -4.289 -5.650 1.00 0.00 N ATOM 1298 CZ ARG A 85 6.309 -4.597 -4.953 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.732 -3.791 -3.989 1.00 0.00 N ATOM 1300 NH2 ARG A 85 6.975 -5.713 -5.220 1.00 0.00 N ATOM 0 H ARG A 85 2.156 -5.193 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 85 1.505 -2.516 -2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.387 -4.857 -4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.853 -3.405 -5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.528 -2.153 -3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.201 -3.739 -3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.740 -2.939 -6.255 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.088 -2.215 -5.400 1.00 0.00 H new ATOM 0 HE ARG A 85 4.922 -4.930 -6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.222 -2.933 -3.781 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.568 -4.029 -3.455 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.652 -6.335 -5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.810 -5.949 -4.684 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.736 -4.673 -3.831 1.00 0.00 N ATOM 1315 CA GLN A 86 -2.100 -4.801 -4.332 1.00 0.00 C ATOM 1316 C GLN A 86 -3.095 -4.151 -3.377 1.00 0.00 C ATOM 1317 O GLN A 86 -4.025 -3.469 -3.804 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.455 -6.276 -4.531 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.580 -6.501 -5.529 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.760 -5.579 -5.296 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -5.296 -5.504 -4.190 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -5.172 -4.869 -6.340 1.00 0.00 N ATOM 0 H GLN A 86 -0.298 -5.556 -3.567 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.158 -4.287 -5.291 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.568 -6.812 -4.869 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.741 -6.705 -3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.200 -6.350 -6.539 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.915 -7.536 -5.466 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.699 -4.962 -7.239 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.962 -4.231 -6.243 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.892 -4.367 -2.081 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.772 -3.802 -1.065 1.00 0.00 C ATOM 1333 C ASN A 87 -3.739 -2.277 -1.104 1.00 0.00 C ATOM 1334 O ASN A 87 -4.783 -1.624 -1.136 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.365 -4.297 0.325 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.805 -5.726 0.581 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -4.983 -5.991 0.821 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -2.857 -6.654 0.532 1.00 0.00 N ATOM 0 H ASN A 87 -2.126 -4.929 -1.710 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.789 -4.131 -1.277 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.282 -4.229 0.429 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.800 -3.644 1.082 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.092 -7.633 0.697 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.893 -6.388 0.329 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.535 -1.717 -1.101 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.366 -0.269 -1.134 1.00 0.00 C ATOM 1347 C TYR A 88 -3.177 0.348 -2.269 1.00 0.00 C ATOM 1348 O TYR A 88 -3.987 1.249 -2.051 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.888 0.089 -1.294 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.609 1.572 -1.189 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.069 2.456 -2.157 1.00 0.00 C ATOM 1352 CD2 TYR A 88 0.114 2.088 -0.120 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.816 3.811 -2.065 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.370 3.442 -0.019 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.096 4.299 -0.994 1.00 0.00 C ATOM 1356 OH TYR A 88 0.157 5.648 -0.898 1.00 0.00 O ATOM 0 H TYR A 88 -1.662 -2.243 -1.076 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.731 0.136 -0.190 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.311 -0.435 -0.532 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.539 -0.270 -2.262 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.634 2.077 -2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.482 1.420 0.644 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.180 4.484 -2.827 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.932 3.827 0.819 1.00 0.00 H new ATOM 0 HH TYR A 88 0.674 5.827 -0.085 1.00 0.00 H new ATOM 1366 N VAL A 89 -2.952 -0.144 -3.484 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.662 0.357 -4.655 1.00 0.00 C ATOM 1368 C VAL A 89 -5.157 0.076 -4.553 1.00 0.00 C ATOM 1369 O VAL A 89 -5.983 0.927 -4.885 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.119 -0.273 -5.951 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.685 0.168 -6.200 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.216 -1.790 -5.887 1.00 0.00 C ATOM 0 H VAL A 89 -2.284 -0.889 -3.683 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.500 1.434 -4.688 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.729 0.072 -6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.319 -0.287 -7.120 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.649 1.253 -6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.058 -0.145 -5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.828 -2.219 -6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.631 -2.157 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.258 -2.083 -5.761 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.498 -1.122 -4.091 1.00 0.00 N ATOM 1383 CA ASP A 90 -6.895 -1.515 -3.944 1.00 0.00 C ATOM 1384 C ASP A 90 -7.673 -0.469 -3.151 1.00 0.00 C ATOM 1385 O ASP A 90 -8.877 -0.295 -3.347 1.00 0.00 O ATOM 1386 CB ASP A 90 -6.993 -2.875 -3.252 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.386 -3.468 -3.337 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -9.357 -2.690 -3.435 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -8.505 -4.711 -3.304 1.00 0.00 O ATOM 0 H ASP A 90 -4.827 -1.838 -3.812 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.333 -1.590 -4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.280 -3.563 -3.706 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.710 -2.768 -2.205 1.00 0.00 H new ATOM 1394 N LEU A 91 -6.979 0.224 -2.256 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.604 1.253 -1.432 1.00 0.00 C ATOM 1396 C LEU A 91 -7.776 2.549 -2.217 1.00 0.00 C ATOM 1397 O LEU A 91 -8.893 3.033 -2.399 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.766 1.509 -0.178 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.352 2.499 0.829 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.290 3.917 0.283 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.784 2.122 1.177 1.00 0.00 C ATOM 0 H LEU A 91 -5.983 0.092 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.590 0.897 -1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.607 0.557 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.786 1.873 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.755 2.456 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.712 4.607 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.252 4.186 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.862 3.976 -0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.184 2.838 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.393 2.135 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.802 1.123 1.612 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.662 3.106 -2.682 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.690 4.344 -3.450 1.00 0.00 C ATOM 1415 C VAL A 92 -7.794 4.314 -4.501 1.00 0.00 C ATOM 1416 O VAL A 92 -8.450 5.324 -4.756 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.340 4.603 -4.147 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.342 5.964 -4.826 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.197 4.497 -3.148 1.00 0.00 C ATOM 0 H VAL A 92 -5.729 2.719 -2.540 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.887 5.150 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.194 3.842 -4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.381 6.129 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.137 5.998 -5.571 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.510 6.742 -4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.251 4.683 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.335 5.235 -2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.185 3.498 -2.713 1.00 0.00 H new ATOM 1429 N SER A 93 -7.994 3.149 -5.108 1.00 0.00 N ATOM 1430 CA SER A 93 -9.018 2.988 -6.135 1.00 0.00 C ATOM 1431 C SER A 93 -10.415 3.084 -5.529 1.00 0.00 C ATOM 1432 O SER A 93 -11.357 3.533 -6.182 1.00 0.00 O ATOM 1433 CB SER A 93 -8.849 1.644 -6.846 1.00 0.00 C ATOM 1434 OG SER A 93 -9.726 1.540 -7.954 1.00 0.00 O ATOM 0 H SER A 93 -7.461 2.303 -4.907 1.00 0.00 H new ATOM 0 HA SER A 93 -8.900 3.793 -6.861 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.818 1.534 -7.183 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.044 0.832 -6.146 1.00 0.00 H new ATOM 0 HG SER A 93 -9.598 0.673 -8.392 1.00 0.00 H new ATOM 1440 N SER A 94 -10.540 2.660 -4.275 1.00 0.00 N ATOM 1441 CA SER A 94 -11.822 2.695 -3.581 1.00 0.00 C ATOM 1442 C SER A 94 -12.285 4.133 -3.366 1.00 0.00 C ATOM 1443 O SER A 94 -13.451 4.462 -3.589 1.00 0.00 O ATOM 1444 CB SER A 94 -11.717 1.974 -2.236 1.00 0.00 C ATOM 1445 OG SER A 94 -12.985 1.512 -1.804 1.00 0.00 O ATOM 0 H SER A 94 -9.769 2.289 -3.719 1.00 0.00 H new ATOM 0 HA SER A 94 -12.558 2.185 -4.202 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.030 1.132 -2.324 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.299 2.649 -1.490 1.00 0.00 H new ATOM 0 HG SER A 94 -12.890 1.053 -0.943 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.363 4.985 -2.932 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.675 6.389 -2.686 1.00 0.00 C ATOM 1453 C LEU A 95 -12.196 7.061 -3.952 1.00 0.00 C ATOM 1454 O LEU A 95 -13.147 7.842 -3.907 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.435 7.126 -2.178 1.00 0.00 C ATOM 1456 CG LEU A 95 -9.945 6.733 -0.783 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.518 7.211 -0.565 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -10.869 7.298 0.286 1.00 0.00 C ATOM 0 H LEU A 95 -10.394 4.729 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.454 6.434 -1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.623 6.961 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.646 8.195 -2.179 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.958 5.646 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.186 6.923 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.865 6.757 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.479 8.296 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.505 7.008 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.889 8.385 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.876 6.906 0.141 1.00 0.00 H new ATOM 1470 N SER A 96 -11.570 6.749 -5.082 1.00 0.00 N ATOM 1471 CA SER A 96 -11.969 7.324 -6.362 1.00 0.00 C ATOM 1472 C SER A 96 -13.138 6.550 -6.964 1.00 0.00 C ATOM 1473 O SER A 96 -13.186 5.320 -6.927 1.00 0.00 O ATOM 1474 CB SER A 96 -10.788 7.326 -7.335 1.00 0.00 C ATOM 1475 OG SER A 96 -9.824 8.297 -6.965 1.00 0.00 O ATOM 0 H SER A 96 -10.784 6.101 -5.138 1.00 0.00 H new ATOM 0 HA SER A 96 -12.288 8.352 -6.187 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.326 6.339 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.145 7.530 -8.345 1.00 0.00 H new ATOM 0 HG SER A 96 -8.963 8.077 -7.378 1.00 0.00 H new ATOM 1481 N PRO A 97 -14.104 7.286 -7.532 1.00 0.00 N ATOM 1482 CA PRO A 97 -15.290 6.691 -8.154 1.00 0.00 C ATOM 1483 C PRO A 97 -14.958 5.951 -9.446 1.00 0.00 C ATOM 1484 O PRO A 97 -15.345 4.796 -9.627 1.00 0.00 O ATOM 1485 CB PRO A 97 -16.183 7.900 -8.445 1.00 0.00 C ATOM 1486 CG PRO A 97 -15.239 9.047 -8.564 1.00 0.00 C ATOM 1487 CD PRO A 97 -14.112 8.756 -7.613 1.00 0.00 C ATOM 0 HA PRO A 97 -15.756 5.945 -7.511 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.753 7.759 -9.363 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -16.904 8.062 -7.644 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -14.872 9.146 -9.586 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -15.731 9.986 -8.310 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -13.163 9.143 -7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -14.282 9.211 -6.637 1.00 0.00 H new ATOM 1495 N SER A 98 -14.240 6.623 -10.340 1.00 0.00 N ATOM 1496 CA SER A 98 -13.859 6.030 -11.616 1.00 0.00 C ATOM 1497 C SER A 98 -12.629 6.724 -12.192 1.00 0.00 C ATOM 1498 O SER A 98 -12.670 7.908 -12.528 1.00 0.00 O ATOM 1499 CB SER A 98 -15.020 6.117 -12.609 1.00 0.00 C ATOM 1500 OG SER A 98 -15.958 5.078 -12.389 1.00 0.00 O ATOM 0 H SER A 98 -13.910 7.579 -10.204 1.00 0.00 H new ATOM 0 HA SER A 98 -13.615 4.982 -11.443 1.00 0.00 H new ATOM 0 HB2 SER A 98 -15.514 7.084 -12.512 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.637 6.056 -13.628 1.00 0.00 H new ATOM 0 HG SER A 98 -15.826 4.702 -11.494 1.00 0.00 H new ATOM 1506 N LEU A 99 -11.535 5.978 -12.303 1.00 0.00 N ATOM 1507 CA LEU A 99 -10.291 6.520 -12.838 1.00 0.00 C ATOM 1508 C LEU A 99 -9.428 5.414 -13.436 1.00 0.00 C ATOM 1509 O LEU A 99 -9.149 4.410 -12.782 1.00 0.00 O ATOM 1510 CB LEU A 99 -9.515 7.251 -11.740 1.00 0.00 C ATOM 1511 CG LEU A 99 -9.824 8.739 -11.577 1.00 0.00 C ATOM 1512 CD1 LEU A 99 -9.341 9.240 -10.225 1.00 0.00 C ATOM 1513 CD2 LEU A 99 -9.190 9.542 -12.704 1.00 0.00 C ATOM 0 H LEU A 99 -11.484 4.997 -12.030 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.542 7.227 -13.628 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.712 6.753 -10.791 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.449 7.142 -11.942 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.905 8.873 -11.626 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -9.570 10.301 -10.127 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.843 8.686 -9.431 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.264 9.092 -10.146 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.420 10.599 -12.572 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.109 9.401 -12.688 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.586 9.201 -13.661 1.00 0.00 H new ATOM 1525 N GLU A 100 -9.006 5.607 -14.682 1.00 0.00 N ATOM 1526 CA GLU A 100 -8.174 4.625 -15.367 1.00 0.00 C ATOM 1527 C GLU A 100 -6.773 4.583 -14.762 1.00 0.00 C ATOM 1528 O GLU A 100 -6.314 5.557 -14.165 1.00 0.00 O ATOM 1529 CB GLU A 100 -8.086 4.950 -16.860 1.00 0.00 C ATOM 1530 CG GLU A 100 -7.394 6.270 -17.156 1.00 0.00 C ATOM 1531 CD GLU A 100 -7.897 6.919 -18.431 1.00 0.00 C ATOM 1532 OE1 GLU A 100 -7.334 6.629 -19.507 1.00 0.00 O ATOM 1533 OE2 GLU A 100 -8.854 7.717 -18.352 1.00 0.00 O ATOM 0 H GLU A 100 -9.227 6.434 -15.237 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.636 3.646 -15.242 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.551 4.147 -17.367 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.093 4.975 -17.278 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.548 6.952 -16.320 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.320 6.103 -17.237 1.00 0.00 H new ATOM 1540 N SER A 101 -6.100 3.448 -14.922 1.00 0.00 N ATOM 1541 CA SER A 101 -4.754 3.277 -14.388 1.00 0.00 C ATOM 1542 C SER A 101 -3.895 2.447 -15.337 1.00 0.00 C ATOM 1543 O SER A 101 -4.388 1.538 -16.005 1.00 0.00 O ATOM 1544 CB SER A 101 -4.809 2.606 -13.014 1.00 0.00 C ATOM 1545 OG SER A 101 -3.527 2.575 -12.410 1.00 0.00 O ATOM 0 H SER A 101 -6.464 2.634 -15.417 1.00 0.00 H new ATOM 0 HA SER A 101 -4.302 4.264 -14.285 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.505 3.144 -12.370 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.191 1.590 -13.117 1.00 0.00 H new ATOM 0 HG SER A 101 -3.572 2.068 -11.572 1.00 0.00 H new ATOM 1551 N SER A 102 -2.606 2.768 -15.392 1.00 0.00 N ATOM 1552 CA SER A 102 -1.677 2.056 -16.263 1.00 0.00 C ATOM 1553 C SER A 102 -0.866 1.035 -15.471 1.00 0.00 C ATOM 1554 O SER A 102 -0.121 1.391 -14.558 1.00 0.00 O ATOM 1555 CB SER A 102 -0.738 3.044 -16.958 1.00 0.00 C ATOM 1556 OG SER A 102 0.217 3.565 -16.049 1.00 0.00 O ATOM 0 H SER A 102 -2.181 3.516 -14.844 1.00 0.00 H new ATOM 0 HA SER A 102 -2.257 1.526 -17.018 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.227 2.547 -17.782 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.318 3.860 -17.389 1.00 0.00 H new ATOM 0 HG SER A 102 0.242 3.006 -15.245 1.00 0.00 H new ATOM 1562 N SER A 103 -1.016 -0.236 -15.829 1.00 0.00 N ATOM 1563 CA SER A 103 -0.300 -1.311 -15.151 1.00 0.00 C ATOM 1564 C SER A 103 0.442 -2.187 -16.155 1.00 0.00 C ATOM 1565 O SER A 103 -0.096 -2.539 -17.204 1.00 0.00 O ATOM 1566 CB SER A 103 -1.273 -2.163 -14.333 1.00 0.00 C ATOM 1567 OG SER A 103 -1.441 -1.636 -13.029 1.00 0.00 O ATOM 0 H SER A 103 -1.627 -0.547 -16.584 1.00 0.00 H new ATOM 0 HA SER A 103 0.431 -0.861 -14.479 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.238 -2.205 -14.839 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.901 -3.186 -14.270 1.00 0.00 H new ATOM 0 HG SER A 103 -2.390 -1.450 -12.871 1.00 0.00 H new ATOM 1573 N GLN A 104 1.682 -2.535 -15.824 1.00 0.00 N ATOM 1574 CA GLN A 104 2.499 -3.370 -16.697 1.00 0.00 C ATOM 1575 C GLN A 104 3.060 -4.567 -15.936 1.00 0.00 C ATOM 1576 O GLN A 104 2.882 -4.683 -14.723 1.00 0.00 O ATOM 1577 CB GLN A 104 3.642 -2.550 -17.297 1.00 0.00 C ATOM 1578 CG GLN A 104 3.230 -1.722 -18.503 1.00 0.00 C ATOM 1579 CD GLN A 104 3.170 -2.539 -19.779 1.00 0.00 C ATOM 1580 OE1 GLN A 104 2.230 -3.304 -19.996 1.00 0.00 O ATOM 1581 NE2 GLN A 104 4.176 -2.380 -20.631 1.00 0.00 N ATOM 0 H GLN A 104 2.142 -2.252 -14.959 1.00 0.00 H new ATOM 0 HA GLN A 104 1.865 -3.740 -17.503 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.043 -1.886 -16.531 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.448 -3.224 -17.588 1.00 0.00 H new ATOM 0 HG2 GLN A 104 2.253 -1.275 -18.316 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.936 -0.902 -18.634 1.00 0.00 H new ATOM 0 HE21 GLN A 104 4.934 -1.735 -20.410 1.00 0.00 H new ATOM 0 HE22 GLN A 104 4.190 -2.903 -21.507 1.00 0.00 H new ATOM 1590 N VAL A 105 3.737 -5.455 -16.656 1.00 0.00 N ATOM 1591 CA VAL A 105 4.326 -6.643 -16.049 1.00 0.00 C ATOM 1592 C VAL A 105 5.818 -6.452 -15.801 1.00 0.00 C ATOM 1593 O VAL A 105 6.533 -5.916 -16.646 1.00 0.00 O ATOM 1594 CB VAL A 105 4.118 -7.886 -16.935 1.00 0.00 C ATOM 1595 CG1 VAL A 105 4.858 -7.731 -18.255 1.00 0.00 C ATOM 1596 CG2 VAL A 105 4.572 -9.141 -16.204 1.00 0.00 C ATOM 0 H VAL A 105 3.892 -5.375 -17.661 1.00 0.00 H new ATOM 0 HA VAL A 105 3.820 -6.796 -15.096 1.00 0.00 H new ATOM 0 HB VAL A 105 3.054 -7.983 -17.152 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.699 -8.619 -18.867 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.482 -6.854 -18.782 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.924 -7.609 -18.062 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.418 -10.010 -16.843 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.630 -9.055 -15.956 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.993 -9.258 -15.288 1.00 0.00 H new ATOM 1606 N GLU A 106 6.279 -6.895 -14.636 1.00 0.00 N ATOM 1607 CA GLU A 106 7.687 -6.773 -14.277 1.00 0.00 C ATOM 1608 C GLU A 106 8.278 -8.133 -13.918 1.00 0.00 C ATOM 1609 O GLU A 106 7.848 -8.795 -12.973 1.00 0.00 O ATOM 1610 CB GLU A 106 7.855 -5.806 -13.103 1.00 0.00 C ATOM 1611 CG GLU A 106 7.427 -4.383 -13.420 1.00 0.00 C ATOM 1612 CD GLU A 106 8.295 -3.737 -14.483 1.00 0.00 C ATOM 1613 OE1 GLU A 106 8.082 -4.027 -15.679 1.00 0.00 O ATOM 1614 OE2 GLU A 106 9.186 -2.942 -14.119 1.00 0.00 O ATOM 0 H GLU A 106 5.699 -7.341 -13.925 1.00 0.00 H new ATOM 0 HA GLU A 106 8.223 -6.381 -15.142 1.00 0.00 H new ATOM 0 HB2 GLU A 106 7.274 -6.171 -12.256 1.00 0.00 H new ATOM 0 HB3 GLU A 106 8.900 -5.802 -12.794 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.390 -4.385 -13.755 1.00 0.00 H new ATOM 0 HG3 GLU A 106 7.467 -3.784 -12.510 1.00 0.00 H new ATOM 1621 N PRO A 107 9.287 -8.562 -14.690 1.00 0.00 N ATOM 1622 CA PRO A 107 9.959 -9.847 -14.473 1.00 0.00 C ATOM 1623 C PRO A 107 10.799 -9.855 -13.201 1.00 0.00 C ATOM 1624 O PRO A 107 11.517 -8.898 -12.914 1.00 0.00 O ATOM 1625 CB PRO A 107 10.854 -9.991 -15.707 1.00 0.00 C ATOM 1626 CG PRO A 107 11.101 -8.594 -16.161 1.00 0.00 C ATOM 1627 CD PRO A 107 9.851 -7.825 -15.833 1.00 0.00 C ATOM 0 HA PRO A 107 9.248 -10.663 -14.348 1.00 0.00 H new ATOM 0 HB2 PRO A 107 11.787 -10.498 -15.462 1.00 0.00 H new ATOM 0 HB3 PRO A 107 10.366 -10.579 -16.484 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.966 -8.166 -15.655 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.309 -8.562 -17.230 1.00 0.00 H new ATOM 0 HD2 PRO A 107 10.073 -6.790 -15.574 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.161 -7.802 -16.676 1.00 0.00 H new ATOM 1635 N GLY A 108 10.705 -10.942 -12.442 1.00 0.00 N ATOM 1636 CA GLY A 108 11.463 -11.054 -11.209 1.00 0.00 C ATOM 1637 C GLY A 108 10.671 -11.718 -10.100 1.00 0.00 C ATOM 1638 O GLY A 108 9.588 -11.259 -9.739 1.00 0.00 O ATOM 0 H GLY A 108 10.118 -11.747 -12.659 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.372 -11.627 -11.395 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.773 -10.060 -10.885 1.00 0.00 H new ATOM 1642 N THR A 109 11.212 -12.805 -9.558 1.00 0.00 N ATOM 1643 CA THR A 109 10.549 -13.536 -8.486 1.00 0.00 C ATOM 1644 C THR A 109 11.564 -14.192 -7.557 1.00 0.00 C ATOM 1645 O THR A 109 12.519 -14.822 -8.012 1.00 0.00 O ATOM 1646 CB THR A 109 9.606 -14.619 -9.045 1.00 0.00 C ATOM 1647 OG1 THR A 109 8.730 -14.049 -10.024 1.00 0.00 O ATOM 1648 CG2 THR A 109 8.786 -15.250 -7.929 1.00 0.00 C ATOM 0 H THR A 109 12.108 -13.198 -9.845 1.00 0.00 H new ATOM 0 HA THR A 109 9.963 -12.809 -7.923 1.00 0.00 H new ATOM 0 HB THR A 109 10.214 -15.394 -9.511 1.00 0.00 H new ATOM 0 HG1 THR A 109 8.135 -14.744 -10.375 1.00 0.00 H new ATOM 0 HG21 THR A 109 8.128 -16.011 -8.347 1.00 0.00 H new ATOM 0 HG22 THR A 109 9.455 -15.709 -7.201 1.00 0.00 H new ATOM 0 HG23 THR A 109 8.187 -14.482 -7.439 1.00 0.00 H new ATOM 1656 N ASP A 110 11.351 -14.040 -6.255 1.00 0.00 N ATOM 1657 CA ASP A 110 12.247 -14.620 -5.261 1.00 0.00 C ATOM 1658 C ASP A 110 11.485 -15.541 -4.314 1.00 0.00 C ATOM 1659 O ASP A 110 10.255 -15.526 -4.273 1.00 0.00 O ATOM 1660 CB ASP A 110 12.945 -13.515 -4.467 1.00 0.00 C ATOM 1661 CG ASP A 110 14.100 -14.041 -3.637 1.00 0.00 C ATOM 1662 OD1 ASP A 110 13.853 -14.513 -2.508 1.00 0.00 O ATOM 1663 OD2 ASP A 110 15.252 -13.978 -4.116 1.00 0.00 O ATOM 0 H ASP A 110 10.566 -13.520 -5.863 1.00 0.00 H new ATOM 0 HA ASP A 110 12.999 -15.210 -5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.313 -12.754 -5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.222 -13.030 -3.812 1.00 0.00 H new ATOM 1668 N SER A 111 12.224 -16.343 -3.554 1.00 0.00 N ATOM 1669 CA SER A 111 11.618 -17.275 -2.610 1.00 0.00 C ATOM 1670 C SER A 111 12.171 -17.061 -1.204 1.00 0.00 C ATOM 1671 O SER A 111 13.352 -16.764 -1.028 1.00 0.00 O ATOM 1672 CB SER A 111 11.866 -18.718 -3.054 1.00 0.00 C ATOM 1673 OG SER A 111 13.185 -19.129 -2.737 1.00 0.00 O ATOM 0 H SER A 111 13.244 -16.366 -3.574 1.00 0.00 H new ATOM 0 HA SER A 111 10.544 -17.088 -2.592 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.149 -19.380 -2.568 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.703 -18.805 -4.128 1.00 0.00 H new ATOM 0 HG SER A 111 13.318 -20.055 -3.029 1.00 0.00 H new ATOM 1679 N GLY A 112 11.308 -17.215 -0.205 1.00 0.00 N ATOM 1680 CA GLY A 112 11.727 -17.035 1.172 1.00 0.00 C ATOM 1681 C GLY A 112 11.129 -18.074 2.101 1.00 0.00 C ATOM 1682 O GLY A 112 10.120 -17.836 2.765 1.00 0.00 O ATOM 0 H GLY A 112 10.326 -17.461 -0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.814 -17.086 1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 112 11.437 -16.040 1.510 1.00 0.00 H new ATOM 1686 N PRO A 113 11.758 -19.257 2.155 1.00 0.00 N ATOM 1687 CA PRO A 113 11.298 -20.360 3.004 1.00 0.00 C ATOM 1688 C PRO A 113 11.503 -20.073 4.488 1.00 0.00 C ATOM 1689 O PRO A 113 12.549 -20.393 5.053 1.00 0.00 O ATOM 1690 CB PRO A 113 12.171 -21.537 2.562 1.00 0.00 C ATOM 1691 CG PRO A 113 13.404 -20.907 2.012 1.00 0.00 C ATOM 1692 CD PRO A 113 12.966 -19.610 1.390 1.00 0.00 C ATOM 0 HA PRO A 113 10.229 -20.540 2.894 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.402 -22.195 3.400 1.00 0.00 H new ATOM 0 HB3 PRO A 113 11.667 -22.144 1.810 1.00 0.00 H new ATOM 0 HG2 PRO A 113 14.138 -20.734 2.799 1.00 0.00 H new ATOM 0 HG3 PRO A 113 13.876 -21.554 1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 113 13.735 -18.843 1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 113 12.750 -19.726 0.328 1.00 0.00 H new ATOM 1700 N SER A 114 10.499 -19.467 5.113 1.00 0.00 N ATOM 1701 CA SER A 114 10.571 -19.134 6.531 1.00 0.00 C ATOM 1702 C SER A 114 11.979 -18.688 6.913 1.00 0.00 C ATOM 1703 O SER A 114 12.500 -19.071 7.961 1.00 0.00 O ATOM 1704 CB SER A 114 10.156 -20.336 7.381 1.00 0.00 C ATOM 1705 OG SER A 114 11.083 -21.399 7.248 1.00 0.00 O ATOM 0 H SER A 114 9.626 -19.197 4.660 1.00 0.00 H new ATOM 0 HA SER A 114 9.883 -18.310 6.721 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.087 -20.039 8.427 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.165 -20.674 7.079 1.00 0.00 H new ATOM 0 HG SER A 114 10.796 -22.155 7.802 1.00 0.00 H new ATOM 1711 N SER A 115 12.590 -17.877 6.056 1.00 0.00 N ATOM 1712 CA SER A 115 13.940 -17.382 6.300 1.00 0.00 C ATOM 1713 C SER A 115 13.956 -16.408 7.475 1.00 0.00 C ATOM 1714 O SER A 115 12.918 -15.886 7.877 1.00 0.00 O ATOM 1715 CB SER A 115 14.489 -16.697 5.047 1.00 0.00 C ATOM 1716 OG SER A 115 13.705 -15.570 4.697 1.00 0.00 O ATOM 0 H SER A 115 12.172 -17.548 5.186 1.00 0.00 H new ATOM 0 HA SER A 115 14.574 -18.233 6.547 1.00 0.00 H new ATOM 0 HB2 SER A 115 15.520 -16.387 5.220 1.00 0.00 H new ATOM 0 HB3 SER A 115 14.504 -17.405 4.218 1.00 0.00 H new ATOM 0 HG SER A 115 14.078 -15.149 3.894 1.00 0.00 H new ATOM 1722 N GLY A 116 15.145 -16.170 8.021 1.00 0.00 N ATOM 1723 CA GLY A 116 15.276 -15.260 9.144 1.00 0.00 C ATOM 1724 C GLY A 116 14.448 -15.690 10.338 1.00 0.00 C ATOM 1725 O GLY A 116 13.439 -15.063 10.660 1.00 0.00 O ATOM 0 H GLY A 116 16.019 -16.591 7.706 1.00 0.00 H new ATOM 0 HA2 GLY A 116 16.324 -15.197 9.436 1.00 0.00 H new ATOM 0 HA3 GLY A 116 14.971 -14.260 8.835 1.00 0.00 H new TER 1729 GLY A 116