USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 961 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 91 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 94 THR OG1 : rot 122:sc= 1.17 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0849 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 25:sc= 1.08 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.149 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.447 F(o=-1.3,f=-0.45) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-3.3) USER MOD Single : A 52 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.78) USER MOD Single : A 53 CYS SG : rot -60:sc= 1.07 USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 56 MET CE :methyl -107:sc= -4.48! (180deg=-5.59!) USER MOD Single : A 57 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.2) USER MOD Single : A 60 MET CE :methyl 177:sc= -0.0102 (180deg=-0.0304) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.686 K(o=-0.69,f=-8!) USER MOD Single : A 71 SER OG : rot 120:sc= -0.754 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 83:sc= 0.169 USER MOD Single : A 86 LYS NZ :NH3+ 171:sc= 2.07 (180deg=1.97) USER MOD Single : A 87 TYR OH : rot -55:sc= 1.06 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -153:sc= -0.137 (180deg=-0.699) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 101 SER OG : rot -27:sc= 0.116 USER MOD Single : A 102 GLN : amide:sc= 0.231 X(o=0.23,f=-0.14) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS :FLIP no HD1:sc= -0.144 F(o=-1.6,f=-0.14) USER MOD Single : A 116 THR OG1 : rot 76:sc= 0.00993 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -114:sc= -0.163 (180deg=-0.746) USER MOD Single : A 120 GLN : amide:sc= -2.13 K(o=-2.1,f=-4.9!) USER MOD Single : A 122 HIS : no HE2:sc= -4.22 K(o=-4.2,f=-5.9!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.002 -52.209 -5.784 1.00 0.00 N ATOM 2 CA GLY A 1 13.927 -51.236 -5.830 1.00 0.00 C ATOM 3 C GLY A 1 14.202 -50.114 -6.811 1.00 0.00 C ATOM 4 O GLY A 1 15.242 -50.097 -7.470 1.00 0.00 O ATOM 0 H1 GLY A 1 14.625 -53.153 -6.003 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.729 -51.956 -6.483 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.423 -52.216 -4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.999 -51.737 -6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.778 -50.816 -4.835 1.00 0.00 H new ATOM 8 N SER A 2 13.266 -49.175 -6.912 1.00 0.00 N ATOM 9 CA SER A 2 13.410 -48.047 -7.824 1.00 0.00 C ATOM 10 C SER A 2 12.280 -47.041 -7.628 1.00 0.00 C ATOM 11 O SER A 2 11.105 -47.408 -7.601 1.00 0.00 O ATOM 12 CB SER A 2 13.426 -48.536 -9.274 1.00 0.00 C ATOM 13 OG SER A 2 13.944 -47.542 -10.142 1.00 0.00 O ATOM 0 H SER A 2 12.400 -49.174 -6.373 1.00 0.00 H new ATOM 0 HA SER A 2 14.356 -47.552 -7.603 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.030 -49.440 -9.350 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.415 -48.802 -9.583 1.00 0.00 H new ATOM 0 HG SER A 2 13.945 -47.880 -11.062 1.00 0.00 H new ATOM 19 N SER A 3 12.645 -45.771 -7.490 1.00 0.00 N ATOM 20 CA SER A 3 11.663 -44.711 -7.292 1.00 0.00 C ATOM 21 C SER A 3 12.268 -43.345 -7.602 1.00 0.00 C ATOM 22 O SER A 3 13.478 -43.216 -7.784 1.00 0.00 O ATOM 23 CB SER A 3 11.138 -44.735 -5.855 1.00 0.00 C ATOM 24 OG SER A 3 10.138 -45.725 -5.694 1.00 0.00 O ATOM 0 H SER A 3 13.613 -45.451 -7.512 1.00 0.00 H new ATOM 0 HA SER A 3 10.833 -44.885 -7.977 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.961 -44.930 -5.167 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.731 -43.757 -5.597 1.00 0.00 H new ATOM 0 HG SER A 3 10.256 -46.422 -6.372 1.00 0.00 H new ATOM 30 N GLY A 4 11.416 -42.326 -7.659 1.00 0.00 N ATOM 31 CA GLY A 4 11.883 -40.983 -7.947 1.00 0.00 C ATOM 32 C GLY A 4 10.815 -40.123 -8.592 1.00 0.00 C ATOM 33 O GLY A 4 9.967 -40.624 -9.331 1.00 0.00 O ATOM 0 H GLY A 4 10.410 -42.407 -7.511 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.215 -40.511 -7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.749 -41.037 -8.607 1.00 0.00 H new ATOM 37 N SER A 5 10.854 -38.824 -8.312 1.00 0.00 N ATOM 38 CA SER A 5 9.878 -37.893 -8.867 1.00 0.00 C ATOM 39 C SER A 5 10.551 -36.591 -9.294 1.00 0.00 C ATOM 40 O SER A 5 11.657 -36.279 -8.855 1.00 0.00 O ATOM 41 CB SER A 5 8.781 -37.600 -7.841 1.00 0.00 C ATOM 42 OG SER A 5 9.315 -36.972 -6.689 1.00 0.00 O ATOM 0 H SER A 5 11.551 -38.393 -7.704 1.00 0.00 H new ATOM 0 HA SER A 5 9.430 -38.356 -9.746 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.021 -36.959 -8.289 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.287 -38.529 -7.557 1.00 0.00 H new ATOM 0 HG SER A 5 8.594 -36.794 -6.050 1.00 0.00 H new ATOM 48 N SER A 6 9.873 -35.837 -10.153 1.00 0.00 N ATOM 49 CA SER A 6 10.405 -34.571 -10.644 1.00 0.00 C ATOM 50 C SER A 6 9.371 -33.458 -10.507 1.00 0.00 C ATOM 51 O SER A 6 8.167 -33.702 -10.572 1.00 0.00 O ATOM 52 CB SER A 6 10.835 -34.707 -12.106 1.00 0.00 C ATOM 53 OG SER A 6 11.897 -35.635 -12.241 1.00 0.00 O ATOM 0 H SER A 6 8.954 -36.081 -10.523 1.00 0.00 H new ATOM 0 HA SER A 6 11.274 -34.312 -10.040 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.987 -35.030 -12.709 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.146 -33.735 -12.489 1.00 0.00 H new ATOM 0 HG SER A 6 12.152 -35.705 -13.185 1.00 0.00 H new ATOM 59 N GLY A 7 9.852 -32.232 -10.317 1.00 0.00 N ATOM 60 CA GLY A 7 8.957 -31.099 -10.174 1.00 0.00 C ATOM 61 C GLY A 7 9.514 -29.837 -10.803 1.00 0.00 C ATOM 62 O GLY A 7 10.121 -29.012 -10.122 1.00 0.00 O ATOM 0 H GLY A 7 10.845 -32.004 -10.260 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.998 -31.337 -10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.768 -30.921 -9.115 1.00 0.00 H new ATOM 66 N MET A 8 9.309 -29.689 -12.108 1.00 0.00 N ATOM 67 CA MET A 8 9.797 -28.519 -12.829 1.00 0.00 C ATOM 68 C MET A 8 8.676 -27.874 -13.639 1.00 0.00 C ATOM 69 O MET A 8 7.931 -28.558 -14.339 1.00 0.00 O ATOM 70 CB MET A 8 10.952 -28.907 -13.754 1.00 0.00 C ATOM 71 CG MET A 8 12.314 -28.850 -13.082 1.00 0.00 C ATOM 72 SD MET A 8 13.552 -29.845 -13.936 1.00 0.00 S ATOM 73 CE MET A 8 15.057 -29.011 -13.440 1.00 0.00 C ATOM 0 H MET A 8 8.809 -30.364 -12.687 1.00 0.00 H new ATOM 0 HA MET A 8 10.156 -27.796 -12.097 1.00 0.00 H new ATOM 0 HB2 MET A 8 10.783 -29.916 -14.129 1.00 0.00 H new ATOM 0 HB3 MET A 8 10.954 -28.242 -14.618 1.00 0.00 H new ATOM 0 HG2 MET A 8 12.651 -27.814 -13.041 1.00 0.00 H new ATOM 0 HG3 MET A 8 12.222 -29.197 -12.053 1.00 0.00 H new ATOM 0 HE1 MET A 8 15.915 -29.511 -13.889 1.00 0.00 H new ATOM 0 HE2 MET A 8 15.025 -27.974 -13.774 1.00 0.00 H new ATOM 0 HE3 MET A 8 15.148 -29.040 -12.354 1.00 0.00 H new ATOM 83 N ALA A 9 8.564 -26.553 -13.538 1.00 0.00 N ATOM 84 CA ALA A 9 7.536 -25.817 -14.262 1.00 0.00 C ATOM 85 C ALA A 9 7.995 -24.397 -14.576 1.00 0.00 C ATOM 86 O ALA A 9 8.309 -23.622 -13.673 1.00 0.00 O ATOM 87 CB ALA A 9 6.242 -25.790 -13.461 1.00 0.00 C ATOM 0 H ALA A 9 9.173 -25.972 -12.962 1.00 0.00 H new ATOM 0 HA ALA A 9 7.355 -26.330 -15.207 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.483 -25.237 -14.014 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.897 -26.810 -13.293 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.418 -25.304 -12.502 1.00 0.00 H new ATOM 93 N ALA A 10 8.033 -24.063 -15.862 1.00 0.00 N ATOM 94 CA ALA A 10 8.454 -22.735 -16.294 1.00 0.00 C ATOM 95 C ALA A 10 7.294 -21.970 -16.922 1.00 0.00 C ATOM 96 O ALA A 10 6.586 -22.492 -17.782 1.00 0.00 O ATOM 97 CB ALA A 10 9.612 -22.842 -17.275 1.00 0.00 C ATOM 0 H ALA A 10 7.778 -24.693 -16.622 1.00 0.00 H new ATOM 0 HA ALA A 10 8.787 -22.182 -15.416 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.916 -21.844 -17.589 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.452 -23.342 -16.793 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.299 -23.417 -18.146 1.00 0.00 H new ATOM 103 N GLY A 11 7.105 -20.728 -16.487 1.00 0.00 N ATOM 104 CA GLY A 11 6.030 -19.911 -17.017 1.00 0.00 C ATOM 105 C GLY A 11 5.144 -19.340 -15.928 1.00 0.00 C ATOM 106 O GLY A 11 4.003 -19.769 -15.758 1.00 0.00 O ATOM 0 H GLY A 11 7.678 -20.273 -15.776 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.453 -19.094 -17.602 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.424 -20.510 -17.697 1.00 0.00 H new ATOM 110 N ALA A 12 5.670 -18.370 -15.187 1.00 0.00 N ATOM 111 CA ALA A 12 4.919 -17.739 -14.109 1.00 0.00 C ATOM 112 C ALA A 12 4.852 -16.228 -14.298 1.00 0.00 C ATOM 113 O ALA A 12 4.968 -15.467 -13.338 1.00 0.00 O ATOM 114 CB ALA A 12 5.544 -18.077 -12.763 1.00 0.00 C ATOM 0 H ALA A 12 6.614 -18.004 -15.314 1.00 0.00 H new ATOM 0 HA ALA A 12 3.901 -18.127 -14.133 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.973 -17.599 -11.967 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.535 -19.157 -12.618 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.572 -17.717 -12.739 1.00 0.00 H new ATOM 120 N ALA A 13 4.663 -15.800 -15.542 1.00 0.00 N ATOM 121 CA ALA A 13 4.579 -14.379 -15.857 1.00 0.00 C ATOM 122 C ALA A 13 3.127 -13.926 -15.963 1.00 0.00 C ATOM 123 O ALA A 13 2.367 -14.435 -16.787 1.00 0.00 O ATOM 124 CB ALA A 13 5.323 -14.080 -17.150 1.00 0.00 C ATOM 0 H ALA A 13 4.565 -16.417 -16.348 1.00 0.00 H new ATOM 0 HA ALA A 13 5.048 -13.823 -15.045 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.252 -13.015 -17.373 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.371 -14.358 -17.039 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.880 -14.652 -17.965 1.00 0.00 H new ATOM 130 N GLU A 14 2.748 -12.967 -15.124 1.00 0.00 N ATOM 131 CA GLU A 14 1.386 -12.447 -15.124 1.00 0.00 C ATOM 132 C GLU A 14 1.384 -10.925 -15.234 1.00 0.00 C ATOM 133 O GLU A 14 1.975 -10.231 -14.407 1.00 0.00 O ATOM 134 CB GLU A 14 0.652 -12.878 -13.852 1.00 0.00 C ATOM 135 CG GLU A 14 1.282 -12.346 -12.576 1.00 0.00 C ATOM 136 CD GLU A 14 0.797 -13.075 -11.338 1.00 0.00 C ATOM 137 OE1 GLU A 14 0.494 -14.282 -11.441 1.00 0.00 O ATOM 138 OE2 GLU A 14 0.720 -12.438 -10.267 1.00 0.00 O ATOM 0 H GLU A 14 3.365 -12.535 -14.436 1.00 0.00 H new ATOM 0 HA GLU A 14 0.868 -12.857 -15.991 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.382 -12.537 -13.906 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.627 -13.967 -13.808 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.366 -12.437 -12.645 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.057 -11.284 -12.479 1.00 0.00 H new ATOM 145 N ALA A 15 0.715 -10.413 -16.262 1.00 0.00 N ATOM 146 CA ALA A 15 0.635 -8.974 -16.481 1.00 0.00 C ATOM 147 C ALA A 15 0.349 -8.236 -15.178 1.00 0.00 C ATOM 148 O ALA A 15 -0.682 -8.456 -14.542 1.00 0.00 O ATOM 149 CB ALA A 15 -0.434 -8.656 -17.516 1.00 0.00 C ATOM 0 H ALA A 15 0.221 -10.973 -16.956 1.00 0.00 H new ATOM 0 HA ALA A 15 1.600 -8.634 -16.856 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.483 -7.578 -17.669 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.186 -9.146 -18.458 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.400 -9.016 -17.163 1.00 0.00 H new ATOM 155 N ALA A 16 1.268 -7.360 -14.785 1.00 0.00 N ATOM 156 CA ALA A 16 1.113 -6.589 -13.558 1.00 0.00 C ATOM 157 C ALA A 16 1.801 -5.232 -13.671 1.00 0.00 C ATOM 158 O ALA A 16 2.918 -5.132 -14.179 1.00 0.00 O ATOM 159 CB ALA A 16 1.667 -7.366 -12.372 1.00 0.00 C ATOM 0 H ALA A 16 2.128 -7.167 -15.299 1.00 0.00 H new ATOM 0 HA ALA A 16 0.049 -6.416 -13.400 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.544 -6.778 -11.462 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.128 -8.308 -12.270 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.726 -7.569 -12.533 1.00 0.00 H new ATOM 165 N VAL A 17 1.126 -4.190 -13.196 1.00 0.00 N ATOM 166 CA VAL A 17 1.673 -2.839 -13.243 1.00 0.00 C ATOM 167 C VAL A 17 1.834 -2.262 -11.842 1.00 0.00 C ATOM 168 O VAL A 17 0.966 -2.431 -10.986 1.00 0.00 O ATOM 169 CB VAL A 17 0.778 -1.901 -14.074 1.00 0.00 C ATOM 170 CG1 VAL A 17 1.474 -0.569 -14.310 1.00 0.00 C ATOM 171 CG2 VAL A 17 0.401 -2.556 -15.394 1.00 0.00 C ATOM 0 H VAL A 17 0.200 -4.255 -12.774 1.00 0.00 H new ATOM 0 HA VAL A 17 2.652 -2.910 -13.717 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.138 -1.711 -13.514 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.826 0.081 -14.899 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.688 -0.096 -13.352 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.407 -0.736 -14.849 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.232 -1.879 -15.968 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.305 -2.777 -15.962 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.141 -3.481 -15.199 1.00 0.00 H new ATOM 181 N ALA A 18 2.950 -1.578 -11.614 1.00 0.00 N ATOM 182 CA ALA A 18 3.224 -0.972 -10.317 1.00 0.00 C ATOM 183 C ALA A 18 2.545 0.387 -10.191 1.00 0.00 C ATOM 184 O ALA A 18 3.098 1.316 -9.603 1.00 0.00 O ATOM 185 CB ALA A 18 4.725 -0.836 -10.104 1.00 0.00 C ATOM 0 H ALA A 18 3.680 -1.430 -12.311 1.00 0.00 H new ATOM 0 HA ALA A 18 2.816 -1.625 -9.546 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.915 -0.382 -9.131 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.189 -1.822 -10.141 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.148 -0.207 -10.887 1.00 0.00 H new ATOM 191 N ALA A 19 1.344 0.497 -10.749 1.00 0.00 N ATOM 192 CA ALA A 19 0.588 1.743 -10.698 1.00 0.00 C ATOM 193 C ALA A 19 -0.752 1.544 -9.999 1.00 0.00 C ATOM 194 O ALA A 19 -1.298 0.441 -9.984 1.00 0.00 O ATOM 195 CB ALA A 19 0.378 2.290 -12.102 1.00 0.00 C ATOM 0 H ALA A 19 0.873 -0.262 -11.242 1.00 0.00 H new ATOM 0 HA ALA A 19 1.164 2.466 -10.121 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.188 3.220 -12.049 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.345 2.479 -12.567 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.174 1.563 -12.697 1.00 0.00 H new ATOM 201 N VAL A 20 -1.278 2.619 -9.420 1.00 0.00 N ATOM 202 CA VAL A 20 -2.555 2.562 -8.719 1.00 0.00 C ATOM 203 C VAL A 20 -3.715 2.851 -9.666 1.00 0.00 C ATOM 204 O VAL A 20 -3.611 3.702 -10.549 1.00 0.00 O ATOM 205 CB VAL A 20 -2.600 3.565 -7.551 1.00 0.00 C ATOM 206 CG1 VAL A 20 -3.949 3.511 -6.852 1.00 0.00 C ATOM 207 CG2 VAL A 20 -1.470 3.290 -6.570 1.00 0.00 C ATOM 0 H VAL A 20 -0.839 3.540 -9.423 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.654 1.551 -8.324 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.466 4.570 -7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.962 4.226 -6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.737 3.761 -7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.117 2.507 -6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.517 4.008 -5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.570 2.280 -6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.512 3.385 -7.082 1.00 0.00 H new ATOM 217 N GLU A 21 -4.819 2.135 -9.476 1.00 0.00 N ATOM 218 CA GLU A 21 -5.998 2.315 -10.314 1.00 0.00 C ATOM 219 C GLU A 21 -6.956 3.330 -9.697 1.00 0.00 C ATOM 220 O GLU A 21 -7.070 3.427 -8.476 1.00 0.00 O ATOM 221 CB GLU A 21 -6.716 0.979 -10.517 1.00 0.00 C ATOM 222 CG GLU A 21 -6.164 0.160 -11.671 1.00 0.00 C ATOM 223 CD GLU A 21 -6.706 0.606 -13.015 1.00 0.00 C ATOM 224 OE1 GLU A 21 -6.211 1.621 -13.548 1.00 0.00 O ATOM 225 OE2 GLU A 21 -7.625 -0.061 -13.534 1.00 0.00 O ATOM 0 H GLU A 21 -4.921 1.426 -8.750 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.669 2.694 -11.282 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.643 0.394 -9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.775 1.168 -10.691 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.077 0.237 -11.678 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.409 -0.891 -11.515 1.00 0.00 H new ATOM 232 N GLU A 22 -7.640 4.086 -10.551 1.00 0.00 N ATOM 233 CA GLU A 22 -8.586 5.095 -10.089 1.00 0.00 C ATOM 234 C GLU A 22 -10.014 4.559 -10.127 1.00 0.00 C ATOM 235 O GLU A 22 -10.609 4.421 -11.196 1.00 0.00 O ATOM 236 CB GLU A 22 -8.479 6.356 -10.948 1.00 0.00 C ATOM 237 CG GLU A 22 -7.168 7.104 -10.771 1.00 0.00 C ATOM 238 CD GLU A 22 -5.961 6.252 -11.109 1.00 0.00 C ATOM 239 OE1 GLU A 22 -5.762 5.950 -12.304 1.00 0.00 O ATOM 240 OE2 GLU A 22 -5.213 5.888 -10.177 1.00 0.00 O ATOM 0 H GLU A 22 -7.557 4.019 -11.565 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.338 5.345 -9.057 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.592 6.082 -11.997 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.305 7.024 -10.702 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.171 7.991 -11.405 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.087 7.449 -9.740 1.00 0.00 H new ATOM 247 N VAL A 23 -10.559 4.258 -8.952 1.00 0.00 N ATOM 248 CA VAL A 23 -11.917 3.739 -8.849 1.00 0.00 C ATOM 249 C VAL A 23 -12.929 4.870 -8.712 1.00 0.00 C ATOM 250 O VAL A 23 -13.125 5.414 -7.627 1.00 0.00 O ATOM 251 CB VAL A 23 -12.064 2.785 -7.649 1.00 0.00 C ATOM 252 CG1 VAL A 23 -13.490 2.265 -7.551 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.074 1.634 -7.759 1.00 0.00 C ATOM 0 H VAL A 23 -10.080 4.365 -8.058 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.115 3.188 -9.768 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.842 3.339 -6.737 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.574 1.593 -6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.175 3.103 -7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.744 1.726 -8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.192 0.970 -6.903 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.262 1.079 -8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.058 2.028 -7.775 1.00 0.00 H new ATOM 263 N GLY A 24 -13.572 5.219 -9.823 1.00 0.00 N ATOM 264 CA GLY A 24 -14.558 6.284 -9.805 1.00 0.00 C ATOM 265 C GLY A 24 -15.976 5.764 -9.935 1.00 0.00 C ATOM 266 O GLY A 24 -16.816 6.388 -10.584 1.00 0.00 O ATOM 0 H GLY A 24 -13.428 4.784 -10.734 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.464 6.846 -8.876 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.353 6.979 -10.620 1.00 0.00 H new ATOM 270 N SER A 25 -16.243 4.618 -9.318 1.00 0.00 N ATOM 271 CA SER A 25 -17.568 4.011 -9.372 1.00 0.00 C ATOM 272 C SER A 25 -17.645 2.792 -8.458 1.00 0.00 C ATOM 273 O SER A 25 -16.671 2.054 -8.306 1.00 0.00 O ATOM 274 CB SER A 25 -17.909 3.608 -10.808 1.00 0.00 C ATOM 275 OG SER A 25 -17.026 2.606 -11.280 1.00 0.00 O ATOM 0 H SER A 25 -15.559 4.091 -8.775 1.00 0.00 H new ATOM 0 HA SER A 25 -18.293 4.748 -9.027 1.00 0.00 H new ATOM 0 HB2 SER A 25 -18.935 3.243 -10.853 1.00 0.00 H new ATOM 0 HB3 SER A 25 -17.853 4.482 -11.457 1.00 0.00 H new ATOM 0 HG SER A 25 -17.266 2.365 -12.199 1.00 0.00 H new ATOM 281 N ALA A 26 -18.809 2.587 -7.852 1.00 0.00 N ATOM 282 CA ALA A 26 -19.015 1.457 -6.954 1.00 0.00 C ATOM 283 C ALA A 26 -18.839 0.133 -7.689 1.00 0.00 C ATOM 284 O ALA A 26 -18.281 -0.820 -7.147 1.00 0.00 O ATOM 285 CB ALA A 26 -20.397 1.531 -6.321 1.00 0.00 C ATOM 0 H ALA A 26 -19.625 3.189 -7.966 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.263 1.509 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.537 0.681 -5.653 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.488 2.457 -5.754 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.157 1.508 -7.102 1.00 0.00 H new ATOM 291 N GLY A 27 -19.319 0.080 -8.928 1.00 0.00 N ATOM 292 CA GLY A 27 -19.205 -1.132 -9.717 1.00 0.00 C ATOM 293 C GLY A 27 -17.769 -1.595 -9.864 1.00 0.00 C ATOM 294 O GLY A 27 -17.479 -2.785 -9.745 1.00 0.00 O ATOM 0 H GLY A 27 -19.785 0.855 -9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.792 -1.923 -9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.631 -0.960 -10.705 1.00 0.00 H new ATOM 298 N GLN A 28 -16.869 -0.653 -10.126 1.00 0.00 N ATOM 299 CA GLN A 28 -15.456 -0.972 -10.292 1.00 0.00 C ATOM 300 C GLN A 28 -14.894 -1.625 -9.033 1.00 0.00 C ATOM 301 O GLN A 28 -14.261 -2.679 -9.099 1.00 0.00 O ATOM 302 CB GLN A 28 -14.661 0.293 -10.622 1.00 0.00 C ATOM 303 CG GLN A 28 -13.317 0.013 -11.276 1.00 0.00 C ATOM 304 CD GLN A 28 -12.619 1.277 -11.737 1.00 0.00 C ATOM 305 OE1 GLN A 28 -11.403 1.494 -11.249 1.00 0.00 O flip ATOM 306 NE2 GLN A 28 -13.166 2.052 -12.523 1.00 0.00 N flip ATOM 0 H GLN A 28 -17.093 0.337 -10.228 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.363 -1.677 -11.118 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.254 0.923 -11.285 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.499 0.860 -9.705 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.676 -0.515 -10.570 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.463 -0.649 -12.130 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.102 1.847 -12.874 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.683 2.899 -12.823 1.00 0.00 H new ATOM 315 N PHE A 29 -15.128 -0.993 -7.889 1.00 0.00 N ATOM 316 CA PHE A 29 -14.644 -1.512 -6.615 1.00 0.00 C ATOM 317 C PHE A 29 -15.335 -2.827 -6.266 1.00 0.00 C ATOM 318 O PHE A 29 -14.692 -3.873 -6.178 1.00 0.00 O ATOM 319 CB PHE A 29 -14.878 -0.489 -5.501 1.00 0.00 C ATOM 320 CG PHE A 29 -14.703 -1.056 -4.121 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.522 -1.684 -3.760 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.720 -0.960 -3.184 1.00 0.00 C ATOM 323 CE1 PHE A 29 -13.358 -2.206 -2.491 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.561 -1.479 -1.914 1.00 0.00 C ATOM 325 CZ PHE A 29 -14.379 -2.104 -1.567 1.00 0.00 C ATOM 0 H PHE A 29 -15.650 -0.120 -7.817 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.574 -1.697 -6.710 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.188 0.344 -5.633 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.886 -0.086 -5.595 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.720 -1.767 -4.479 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.647 -0.474 -3.450 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.432 -2.693 -2.222 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.360 -1.396 -1.193 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.254 -2.512 -0.575 1.00 0.00 H new ATOM 335 N GLU A 30 -16.648 -2.765 -6.068 1.00 0.00 N ATOM 336 CA GLU A 30 -17.425 -3.951 -5.727 1.00 0.00 C ATOM 337 C GLU A 30 -17.053 -5.123 -6.631 1.00 0.00 C ATOM 338 O GLU A 30 -16.959 -6.263 -6.178 1.00 0.00 O ATOM 339 CB GLU A 30 -18.922 -3.658 -5.844 1.00 0.00 C ATOM 340 CG GLU A 30 -19.477 -2.852 -4.682 1.00 0.00 C ATOM 341 CD GLU A 30 -20.991 -2.896 -4.611 1.00 0.00 C ATOM 342 OE1 GLU A 30 -21.641 -2.710 -5.661 1.00 0.00 O ATOM 343 OE2 GLU A 30 -21.526 -3.119 -3.504 1.00 0.00 O ATOM 0 H GLU A 30 -17.195 -1.907 -6.138 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.194 -4.221 -4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.106 -3.116 -6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.464 -4.601 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -19.062 -3.234 -3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.151 -1.816 -4.775 1.00 0.00 H new ATOM 350 N GLU A 31 -16.845 -4.833 -7.911 1.00 0.00 N ATOM 351 CA GLU A 31 -16.485 -5.863 -8.879 1.00 0.00 C ATOM 352 C GLU A 31 -15.062 -6.360 -8.640 1.00 0.00 C ATOM 353 O GLU A 31 -14.832 -7.557 -8.461 1.00 0.00 O ATOM 354 CB GLU A 31 -16.617 -5.324 -10.304 1.00 0.00 C ATOM 355 CG GLU A 31 -16.103 -6.281 -11.367 1.00 0.00 C ATOM 356 CD GLU A 31 -17.105 -7.368 -11.706 1.00 0.00 C ATOM 357 OE1 GLU A 31 -18.316 -7.146 -11.498 1.00 0.00 O ATOM 358 OE2 GLU A 31 -16.676 -8.442 -12.179 1.00 0.00 O ATOM 0 H GLU A 31 -16.919 -3.894 -8.302 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.170 -6.701 -8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.665 -5.102 -10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.072 -4.383 -10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.862 -5.720 -12.270 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.177 -6.740 -11.020 1.00 0.00 H new ATOM 365 N LEU A 32 -14.110 -5.433 -8.641 1.00 0.00 N ATOM 366 CA LEU A 32 -12.709 -5.776 -8.425 1.00 0.00 C ATOM 367 C LEU A 32 -12.543 -6.627 -7.170 1.00 0.00 C ATOM 368 O LEU A 32 -11.698 -7.522 -7.122 1.00 0.00 O ATOM 369 CB LEU A 32 -11.865 -4.505 -8.309 1.00 0.00 C ATOM 370 CG LEU A 32 -10.354 -4.686 -8.458 1.00 0.00 C ATOM 371 CD1 LEU A 32 -9.944 -4.569 -9.918 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.608 -3.667 -7.609 1.00 0.00 C ATOM 0 H LEU A 32 -14.283 -4.439 -8.789 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.366 -6.356 -9.282 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.202 -3.798 -9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.062 -4.049 -7.339 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.091 -5.684 -8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.865 -4.700 -10.005 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.451 -5.338 -10.501 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.221 -3.585 -10.296 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.534 -3.811 -7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.877 -2.660 -7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.878 -3.799 -6.561 1.00 0.00 H new ATOM 384 N LEU A 33 -13.354 -6.343 -6.158 1.00 0.00 N ATOM 385 CA LEU A 33 -13.300 -7.084 -4.902 1.00 0.00 C ATOM 386 C LEU A 33 -13.246 -8.587 -5.159 1.00 0.00 C ATOM 387 O LEU A 33 -12.573 -9.325 -4.440 1.00 0.00 O ATOM 388 CB LEU A 33 -14.513 -6.746 -4.034 1.00 0.00 C ATOM 389 CG LEU A 33 -14.377 -5.513 -3.141 1.00 0.00 C ATOM 390 CD1 LEU A 33 -15.725 -5.130 -2.550 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.361 -5.764 -2.036 1.00 0.00 C ATOM 0 H LEU A 33 -14.057 -5.605 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.392 -6.791 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.374 -6.603 -4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.732 -7.606 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.022 -4.683 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.608 -4.250 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.425 -4.908 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.109 -5.957 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.277 -4.876 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.687 -6.607 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.391 -5.989 -2.478 1.00 0.00 H new ATOM 403 N ARG A 34 -13.958 -9.031 -6.189 1.00 0.00 N ATOM 404 CA ARG A 34 -13.991 -10.446 -6.541 1.00 0.00 C ATOM 405 C ARG A 34 -12.754 -10.835 -7.345 1.00 0.00 C ATOM 406 O ARG A 34 -12.150 -11.882 -7.108 1.00 0.00 O ATOM 407 CB ARG A 34 -15.254 -10.764 -7.343 1.00 0.00 C ATOM 408 CG ARG A 34 -15.073 -10.623 -8.846 1.00 0.00 C ATOM 409 CD ARG A 34 -16.402 -10.720 -9.578 1.00 0.00 C ATOM 410 NE ARG A 34 -17.400 -9.807 -9.025 1.00 0.00 N ATOM 411 CZ ARG A 34 -18.710 -9.986 -9.152 1.00 0.00 C ATOM 412 NH1 ARG A 34 -19.178 -11.037 -9.811 1.00 0.00 N ATOM 413 NH2 ARG A 34 -19.555 -9.111 -8.620 1.00 0.00 N ATOM 0 H ARG A 34 -14.520 -8.432 -6.794 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.000 -11.025 -5.617 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.570 -11.782 -7.118 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.057 -10.102 -7.019 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.603 -9.665 -9.069 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.400 -11.400 -9.207 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.251 -10.496 -10.634 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.774 -11.743 -9.519 1.00 0.00 H new ATOM 0 HE ARG A 34 -17.073 -8.987 -8.514 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.532 -11.711 -10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -20.184 -11.172 -9.907 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -19.198 -8.301 -8.113 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -20.561 -9.249 -8.718 1.00 0.00 H new ATOM 427 N LEU A 35 -12.381 -9.985 -8.296 1.00 0.00 N ATOM 428 CA LEU A 35 -11.216 -10.240 -9.136 1.00 0.00 C ATOM 429 C LEU A 35 -9.950 -10.345 -8.292 1.00 0.00 C ATOM 430 O LEU A 35 -9.247 -11.355 -8.331 1.00 0.00 O ATOM 431 CB LEU A 35 -11.059 -9.129 -10.175 1.00 0.00 C ATOM 432 CG LEU A 35 -12.210 -8.973 -11.170 1.00 0.00 C ATOM 433 CD1 LEU A 35 -12.097 -7.652 -11.915 1.00 0.00 C ATOM 434 CD2 LEU A 35 -12.231 -10.138 -12.148 1.00 0.00 C ATOM 0 H LEU A 35 -12.868 -9.114 -8.504 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.369 -11.189 -9.649 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.929 -8.183 -9.649 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.142 -9.311 -10.736 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.148 -8.974 -10.614 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.925 -7.559 -12.618 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.132 -6.828 -11.202 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.153 -7.621 -12.459 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.056 -10.010 -12.848 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.290 -10.169 -12.698 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.362 -11.071 -11.600 1.00 0.00 H new ATOM 446 N LYS A 36 -9.665 -9.296 -7.528 1.00 0.00 N ATOM 447 CA LYS A 36 -8.485 -9.271 -6.671 1.00 0.00 C ATOM 448 C LYS A 36 -8.816 -9.789 -5.275 1.00 0.00 C ATOM 449 O LYS A 36 -8.336 -9.255 -4.276 1.00 0.00 O ATOM 450 CB LYS A 36 -7.927 -7.849 -6.581 1.00 0.00 C ATOM 451 CG LYS A 36 -7.634 -7.223 -7.933 1.00 0.00 C ATOM 452 CD LYS A 36 -6.431 -7.870 -8.599 1.00 0.00 C ATOM 453 CE LYS A 36 -6.234 -7.354 -10.016 1.00 0.00 C ATOM 454 NZ LYS A 36 -5.473 -8.320 -10.857 1.00 0.00 N ATOM 0 H LYS A 36 -10.235 -8.451 -7.485 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.731 -9.924 -7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.640 -7.221 -6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.011 -7.864 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.506 -7.324 -8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.452 -6.156 -7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.536 -7.669 -8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.563 -8.952 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.206 -7.163 -10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.703 -6.402 -9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.360 -7.932 -11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.536 -8.483 -10.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.992 -9.220 -10.907 1.00 0.00 H new ATOM 468 N ALA A 37 -9.637 -10.832 -5.215 1.00 0.00 N ATOM 469 CA ALA A 37 -10.028 -11.424 -3.942 1.00 0.00 C ATOM 470 C ALA A 37 -8.874 -12.205 -3.322 1.00 0.00 C ATOM 471 O ALA A 37 -8.439 -11.911 -2.208 1.00 0.00 O ATOM 472 CB ALA A 37 -11.238 -12.326 -4.129 1.00 0.00 C ATOM 0 H ALA A 37 -10.044 -11.284 -6.033 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.293 -10.616 -3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.519 -12.761 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.071 -11.741 -4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.993 -13.123 -4.831 1.00 0.00 H new ATOM 478 N LYS A 38 -8.383 -13.202 -4.050 1.00 0.00 N ATOM 479 CA LYS A 38 -7.278 -14.026 -3.573 1.00 0.00 C ATOM 480 C LYS A 38 -6.174 -13.162 -2.973 1.00 0.00 C ATOM 481 O LYS A 38 -5.663 -13.454 -1.892 1.00 0.00 O ATOM 482 CB LYS A 38 -6.715 -14.872 -4.717 1.00 0.00 C ATOM 483 CG LYS A 38 -7.644 -15.986 -5.165 1.00 0.00 C ATOM 484 CD LYS A 38 -7.344 -16.424 -6.589 1.00 0.00 C ATOM 485 CE LYS A 38 -6.265 -17.494 -6.628 1.00 0.00 C ATOM 486 NZ LYS A 38 -6.832 -18.861 -6.459 1.00 0.00 N ATOM 0 H LYS A 38 -8.733 -13.459 -4.973 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.660 -14.687 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.503 -14.223 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.766 -15.306 -4.403 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.543 -16.838 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.678 -15.648 -5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.254 -16.806 -7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.025 -15.563 -7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.731 -17.437 -7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.536 -17.303 -5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.064 -19.562 -6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.320 -18.924 -5.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.509 -19.053 -7.225 1.00 0.00 H new ATOM 500 N SER A 39 -5.812 -12.097 -3.681 1.00 0.00 N ATOM 501 CA SER A 39 -4.766 -11.192 -3.219 1.00 0.00 C ATOM 502 C SER A 39 -5.331 -10.160 -2.248 1.00 0.00 C ATOM 503 O SER A 39 -6.542 -10.090 -2.033 1.00 0.00 O ATOM 504 CB SER A 39 -4.112 -10.485 -4.408 1.00 0.00 C ATOM 505 OG SER A 39 -3.204 -11.344 -5.076 1.00 0.00 O ATOM 0 H SER A 39 -6.227 -11.840 -4.576 1.00 0.00 H new ATOM 0 HA SER A 39 -4.013 -11.783 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.881 -10.151 -5.105 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.587 -9.594 -4.062 1.00 0.00 H new ATOM 0 HG SER A 39 -2.801 -10.869 -5.833 1.00 0.00 H new ATOM 511 N LEU A 40 -4.446 -9.361 -1.663 1.00 0.00 N ATOM 512 CA LEU A 40 -4.854 -8.331 -0.714 1.00 0.00 C ATOM 513 C LEU A 40 -5.227 -7.041 -1.436 1.00 0.00 C ATOM 514 O LEU A 40 -4.503 -6.580 -2.320 1.00 0.00 O ATOM 515 CB LEU A 40 -3.732 -8.061 0.290 1.00 0.00 C ATOM 516 CG LEU A 40 -3.876 -6.793 1.133 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.987 -6.957 2.158 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.560 -6.456 1.819 1.00 0.00 C ATOM 0 H LEU A 40 -3.441 -9.406 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.732 -8.693 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.661 -8.915 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.790 -8.006 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.139 -5.968 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.075 -6.045 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.929 -7.150 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.754 -7.794 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.681 -5.551 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.266 -7.281 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.788 -6.294 1.066 1.00 0.00 H new ATOM 530 N LEU A 41 -6.359 -6.461 -1.054 1.00 0.00 N ATOM 531 CA LEU A 41 -6.828 -5.221 -1.664 1.00 0.00 C ATOM 532 C LEU A 41 -6.704 -4.054 -0.689 1.00 0.00 C ATOM 533 O LEU A 41 -6.953 -4.201 0.507 1.00 0.00 O ATOM 534 CB LEU A 41 -8.282 -5.370 -2.116 1.00 0.00 C ATOM 535 CG LEU A 41 -8.747 -4.408 -3.209 1.00 0.00 C ATOM 536 CD1 LEU A 41 -8.153 -4.800 -4.553 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.266 -4.379 -3.283 1.00 0.00 C ATOM 0 H LEU A 41 -6.970 -6.829 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.203 -5.013 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.428 -6.390 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.927 -5.240 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.397 -3.407 -2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.495 -4.104 -5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.065 -4.768 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.472 -5.810 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.579 -3.689 -4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.638 -5.378 -3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.671 -4.049 -2.326 1.00 0.00 H new ATOM 549 N VAL A 42 -6.318 -2.894 -1.211 1.00 0.00 N ATOM 550 CA VAL A 42 -6.164 -1.700 -0.388 1.00 0.00 C ATOM 551 C VAL A 42 -6.931 -0.523 -0.978 1.00 0.00 C ATOM 552 O VAL A 42 -6.517 0.064 -1.979 1.00 0.00 O ATOM 553 CB VAL A 42 -4.681 -1.309 -0.238 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.545 -0.034 0.580 1.00 0.00 C ATOM 555 CG2 VAL A 42 -3.892 -2.446 0.394 1.00 0.00 C ATOM 0 H VAL A 42 -6.106 -2.756 -2.199 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.571 -1.939 0.595 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.270 -1.120 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.491 0.226 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.075 0.777 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.971 -0.190 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.847 -2.153 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.301 -2.669 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.962 -3.332 -0.237 1.00 0.00 H new ATOM 565 N VAL A 43 -8.053 -0.181 -0.352 1.00 0.00 N ATOM 566 CA VAL A 43 -8.879 0.929 -0.814 1.00 0.00 C ATOM 567 C VAL A 43 -8.553 2.210 -0.055 1.00 0.00 C ATOM 568 O VAL A 43 -8.976 2.393 1.087 1.00 0.00 O ATOM 569 CB VAL A 43 -10.379 0.617 -0.653 1.00 0.00 C ATOM 570 CG1 VAL A 43 -11.221 1.806 -1.088 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.751 -0.629 -1.442 1.00 0.00 C ATOM 0 H VAL A 43 -8.411 -0.657 0.476 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.656 1.071 -1.872 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.582 0.425 0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.278 1.567 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.972 2.672 -0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.018 2.032 -2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.814 -0.835 -1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.534 -0.469 -2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.172 -1.477 -1.077 1.00 0.00 H new ATOM 581 N HIS A 44 -7.798 3.096 -0.698 1.00 0.00 N ATOM 582 CA HIS A 44 -7.415 4.362 -0.084 1.00 0.00 C ATOM 583 C HIS A 44 -8.395 5.468 -0.464 1.00 0.00 C ATOM 584 O HIS A 44 -8.740 5.630 -1.634 1.00 0.00 O ATOM 585 CB HIS A 44 -5.999 4.752 -0.508 1.00 0.00 C ATOM 586 CG HIS A 44 -5.629 6.156 -0.141 1.00 0.00 C ATOM 587 ND1 HIS A 44 -4.829 6.954 -0.932 1.00 0.00 N ATOM 588 CD2 HIS A 44 -5.955 6.905 0.938 1.00 0.00 C ATOM 589 CE1 HIS A 44 -4.678 8.132 -0.353 1.00 0.00 C ATOM 590 NE2 HIS A 44 -5.352 8.128 0.782 1.00 0.00 N ATOM 0 H HIS A 44 -7.440 2.960 -1.643 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.439 4.234 0.998 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.289 4.066 -0.047 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.905 4.631 -1.587 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.418 6.678 -1.824 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -6.574 6.598 1.768 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.101 8.958 -0.742 1.00 0.00 H new ATOM 599 N PHE A 45 -8.840 6.226 0.533 1.00 0.00 N ATOM 600 CA PHE A 45 -9.782 7.315 0.303 1.00 0.00 C ATOM 601 C PHE A 45 -9.045 8.632 0.075 1.00 0.00 C ATOM 602 O PHE A 45 -8.270 9.076 0.921 1.00 0.00 O ATOM 603 CB PHE A 45 -10.737 7.452 1.491 1.00 0.00 C ATOM 604 CG PHE A 45 -11.979 6.618 1.361 1.00 0.00 C ATOM 605 CD1 PHE A 45 -11.915 5.237 1.451 1.00 0.00 C ATOM 606 CD2 PHE A 45 -13.211 7.215 1.147 1.00 0.00 C ATOM 607 CE1 PHE A 45 -13.056 4.466 1.331 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.356 6.450 1.027 1.00 0.00 C ATOM 609 CZ PHE A 45 -14.278 5.074 1.118 1.00 0.00 C ATOM 0 H PHE A 45 -8.563 6.106 1.507 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.358 7.080 -0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.212 7.168 2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.021 8.499 1.599 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.962 4.757 1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.277 8.290 1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.992 3.390 1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.311 6.928 0.862 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.171 4.474 1.023 1.00 0.00 H new ATOM 619 N TRP A 46 -9.293 9.250 -1.074 1.00 0.00 N ATOM 620 CA TRP A 46 -8.653 10.515 -1.415 1.00 0.00 C ATOM 621 C TRP A 46 -9.694 11.583 -1.734 1.00 0.00 C ATOM 622 O TRP A 46 -10.635 11.339 -2.489 1.00 0.00 O ATOM 623 CB TRP A 46 -7.712 10.330 -2.607 1.00 0.00 C ATOM 624 CG TRP A 46 -8.430 10.214 -3.918 1.00 0.00 C ATOM 625 CD1 TRP A 46 -8.751 9.062 -4.577 1.00 0.00 C ATOM 626 CD2 TRP A 46 -8.914 11.290 -4.728 1.00 0.00 C ATOM 627 NE1 TRP A 46 -9.405 9.357 -5.749 1.00 0.00 N ATOM 628 CE2 TRP A 46 -9.518 10.717 -5.864 1.00 0.00 C ATOM 629 CE3 TRP A 46 -8.897 12.682 -4.604 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -10.098 11.489 -6.867 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -9.473 13.447 -5.600 1.00 0.00 C ATOM 632 CH2 TRP A 46 -10.067 12.849 -6.720 1.00 0.00 C ATOM 0 H TRP A 46 -9.933 8.896 -1.785 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.074 10.845 -0.552 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.023 11.174 -2.651 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.110 9.435 -2.450 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.524 8.065 -4.228 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.750 8.674 -6.424 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -8.442 13.152 -3.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -10.556 11.030 -7.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -9.465 14.524 -5.514 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -10.509 13.474 -7.482 1.00 0.00 H new ATOM 643 N ALA A 47 -9.518 12.766 -1.155 1.00 0.00 N ATOM 644 CA ALA A 47 -10.441 13.872 -1.381 1.00 0.00 C ATOM 645 C ALA A 47 -9.770 14.997 -2.161 1.00 0.00 C ATOM 646 O ALA A 47 -8.570 15.242 -2.036 1.00 0.00 O ATOM 647 CB ALA A 47 -10.975 14.392 -0.055 1.00 0.00 C ATOM 0 H ALA A 47 -8.745 12.983 -0.526 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.275 13.501 -1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.663 15.217 -0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.500 13.591 0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.145 14.741 0.560 1.00 0.00 H new ATOM 653 N PRO A 48 -10.560 15.698 -2.987 1.00 0.00 N ATOM 654 CA PRO A 48 -10.064 16.809 -3.804 1.00 0.00 C ATOM 655 C PRO A 48 -9.695 18.027 -2.964 1.00 0.00 C ATOM 656 O PRO A 48 -9.296 19.063 -3.497 1.00 0.00 O ATOM 657 CB PRO A 48 -11.246 17.131 -4.722 1.00 0.00 C ATOM 658 CG PRO A 48 -12.445 16.663 -3.973 1.00 0.00 C ATOM 659 CD PRO A 48 -12.000 15.461 -3.187 1.00 0.00 C ATOM 0 HA PRO A 48 -9.151 16.545 -4.338 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.303 18.199 -4.934 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.154 16.620 -5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.821 17.444 -3.312 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.255 16.405 -4.655 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.530 15.383 -2.238 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.183 14.535 -3.731 1.00 0.00 H new ATOM 667 N TRP A 49 -9.831 17.896 -1.650 1.00 0.00 N ATOM 668 CA TRP A 49 -9.511 18.987 -0.736 1.00 0.00 C ATOM 669 C TRP A 49 -8.409 18.579 0.234 1.00 0.00 C ATOM 670 O TRP A 49 -7.387 19.256 0.347 1.00 0.00 O ATOM 671 CB TRP A 49 -10.759 19.412 0.040 1.00 0.00 C ATOM 672 CG TRP A 49 -11.555 18.256 0.565 1.00 0.00 C ATOM 673 CD1 TRP A 49 -12.557 17.590 -0.081 1.00 0.00 C ATOM 674 CD2 TRP A 49 -11.415 17.630 1.845 1.00 0.00 C ATOM 675 NE1 TRP A 49 -13.049 16.589 0.721 1.00 0.00 N ATOM 676 CE2 TRP A 49 -12.365 16.592 1.907 1.00 0.00 C ATOM 677 CE3 TRP A 49 -10.578 17.845 2.944 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -12.500 15.773 3.025 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -10.714 17.031 4.053 1.00 0.00 C ATOM 680 CH2 TRP A 49 -11.668 16.006 4.087 1.00 0.00 C ATOM 0 H TRP A 49 -10.161 17.046 -1.193 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.154 19.830 -1.327 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.461 20.047 0.874 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.393 20.016 -0.609 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.911 17.817 -1.076 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.802 15.947 0.473 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.839 18.632 2.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.235 14.982 3.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.073 17.188 4.908 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -11.749 15.387 4.968 1.00 0.00 H new ATOM 691 N ALA A 50 -8.622 17.469 0.933 1.00 0.00 N ATOM 692 CA ALA A 50 -7.644 16.970 1.892 1.00 0.00 C ATOM 693 C ALA A 50 -6.254 16.894 1.270 1.00 0.00 C ATOM 694 O ALA A 50 -5.969 16.036 0.434 1.00 0.00 O ATOM 695 CB ALA A 50 -8.067 15.605 2.415 1.00 0.00 C ATOM 0 H ALA A 50 -9.463 16.898 0.853 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.601 17.669 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.328 15.244 3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.037 15.688 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.140 14.904 1.584 1.00 0.00 H new ATOM 701 N PRO A 51 -5.368 17.811 1.685 1.00 0.00 N ATOM 702 CA PRO A 51 -3.993 17.868 1.181 1.00 0.00 C ATOM 703 C PRO A 51 -3.150 16.692 1.663 1.00 0.00 C ATOM 704 O PRO A 51 -1.956 16.615 1.375 1.00 0.00 O ATOM 705 CB PRO A 51 -3.458 19.181 1.757 1.00 0.00 C ATOM 706 CG PRO A 51 -4.276 19.420 2.978 1.00 0.00 C ATOM 707 CD PRO A 51 -5.640 18.863 2.679 1.00 0.00 C ATOM 0 HA PRO A 51 -3.955 17.818 0.093 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.398 19.104 1.999 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.563 19.998 1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.835 18.928 3.845 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.331 20.484 3.209 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.114 18.458 3.573 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.308 19.627 2.283 1.00 0.00 H new ATOM 715 N GLN A 52 -3.779 15.780 2.396 1.00 0.00 N ATOM 716 CA GLN A 52 -3.085 14.609 2.918 1.00 0.00 C ATOM 717 C GLN A 52 -2.850 13.580 1.817 1.00 0.00 C ATOM 718 O GLN A 52 -1.720 13.149 1.586 1.00 0.00 O ATOM 719 CB GLN A 52 -3.888 13.979 4.058 1.00 0.00 C ATOM 720 CG GLN A 52 -3.613 14.608 5.414 1.00 0.00 C ATOM 721 CD GLN A 52 -3.730 16.119 5.392 1.00 0.00 C ATOM 722 OE1 GLN A 52 -4.776 16.668 5.045 1.00 0.00 O ATOM 723 NE2 GLN A 52 -2.653 16.801 5.762 1.00 0.00 N ATOM 0 H GLN A 52 -4.768 15.829 2.642 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.117 14.933 3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.951 14.067 3.835 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.660 12.914 4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.312 14.204 6.146 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.612 14.330 5.743 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.807 16.305 6.042 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.672 17.821 5.766 1.00 0.00 H new ATOM 732 N CYS A 53 -3.925 13.190 1.140 1.00 0.00 N ATOM 733 CA CYS A 53 -3.836 12.210 0.063 1.00 0.00 C ATOM 734 C CYS A 53 -2.627 12.485 -0.825 1.00 0.00 C ATOM 735 O CYS A 53 -2.106 11.582 -1.478 1.00 0.00 O ATOM 736 CB CYS A 53 -5.115 12.227 -0.776 1.00 0.00 C ATOM 737 SG CYS A 53 -5.586 13.868 -1.370 1.00 0.00 S ATOM 0 H CYS A 53 -4.867 13.537 1.318 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.717 11.224 0.511 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.984 11.566 -1.633 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.932 11.819 -0.181 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.782 14.657 -0.356 1.00 0.00 H new ATOM 743 N ALA A 54 -2.187 13.739 -0.844 1.00 0.00 N ATOM 744 CA ALA A 54 -1.039 14.134 -1.651 1.00 0.00 C ATOM 745 C ALA A 54 0.128 13.173 -1.452 1.00 0.00 C ATOM 746 O ALA A 54 0.470 12.404 -2.351 1.00 0.00 O ATOM 747 CB ALA A 54 -0.618 15.556 -1.310 1.00 0.00 C ATOM 0 H ALA A 54 -2.608 14.499 -0.310 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.333 14.096 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.240 15.838 -1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.445 16.238 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.348 15.612 -0.256 1.00 0.00 H new ATOM 753 N GLN A 55 0.735 13.222 -0.271 1.00 0.00 N ATOM 754 CA GLN A 55 1.865 12.356 0.044 1.00 0.00 C ATOM 755 C GLN A 55 1.427 10.898 0.123 1.00 0.00 C ATOM 756 O GLN A 55 2.012 10.028 -0.522 1.00 0.00 O ATOM 757 CB GLN A 55 2.507 12.781 1.366 1.00 0.00 C ATOM 758 CG GLN A 55 1.527 12.843 2.526 1.00 0.00 C ATOM 759 CD GLN A 55 2.132 13.469 3.768 1.00 0.00 C ATOM 760 OE1 GLN A 55 3.452 13.388 3.889 1.00 0.00 O flip ATOM 761 NE2 GLN A 55 1.421 14.018 4.609 1.00 0.00 N flip ATOM 0 H GLN A 55 0.463 13.852 0.484 1.00 0.00 H new ATOM 0 HA GLN A 55 2.599 12.453 -0.756 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.306 12.082 1.613 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.968 13.760 1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.650 13.416 2.225 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.184 11.835 2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.411 14.057 4.475 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.842 14.434 5.440 1.00 0.00 H new ATOM 770 N MET A 56 0.395 10.637 0.919 1.00 0.00 N ATOM 771 CA MET A 56 -0.121 9.283 1.081 1.00 0.00 C ATOM 772 C MET A 56 -0.184 8.560 -0.261 1.00 0.00 C ATOM 773 O MET A 56 0.134 7.375 -0.353 1.00 0.00 O ATOM 774 CB MET A 56 -1.510 9.317 1.721 1.00 0.00 C ATOM 775 CG MET A 56 -1.570 10.133 3.002 1.00 0.00 C ATOM 776 SD MET A 56 -0.073 9.977 3.995 1.00 0.00 S ATOM 777 CE MET A 56 0.100 8.195 4.068 1.00 0.00 C ATOM 0 H MET A 56 -0.100 11.345 1.461 1.00 0.00 H new ATOM 0 HA MET A 56 0.559 8.738 1.735 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.221 9.728 1.004 1.00 0.00 H new ATOM 0 HB3 MET A 56 -1.827 8.296 1.935 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.728 11.182 2.753 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.428 9.813 3.593 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.161 7.845 5.067 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.564 7.735 3.337 1.00 0.00 H new ATOM 0 HE3 MET A 56 1.131 7.920 3.845 1.00 0.00 H new ATOM 787 N ASN A 57 -0.595 9.282 -1.298 1.00 0.00 N ATOM 788 CA ASN A 57 -0.700 8.709 -2.635 1.00 0.00 C ATOM 789 C ASN A 57 0.667 8.259 -3.142 1.00 0.00 C ATOM 790 O ASN A 57 0.813 7.153 -3.661 1.00 0.00 O ATOM 791 CB ASN A 57 -1.306 9.727 -3.603 1.00 0.00 C ATOM 792 CG ASN A 57 -1.319 9.227 -5.035 1.00 0.00 C ATOM 793 OD1 ASN A 57 -1.280 8.022 -5.283 1.00 0.00 O ATOM 794 ND2 ASN A 57 -1.372 10.154 -5.984 1.00 0.00 N ATOM 0 H ASN A 57 -0.861 10.265 -1.238 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.353 7.838 -2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.325 9.958 -3.292 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.739 10.656 -3.551 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.382 9.879 -6.966 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.403 11.142 -5.731 1.00 0.00 H new ATOM 801 N GLU A 58 1.664 9.124 -2.988 1.00 0.00 N ATOM 802 CA GLU A 58 3.018 8.816 -3.431 1.00 0.00 C ATOM 803 C GLU A 58 3.547 7.565 -2.734 1.00 0.00 C ATOM 804 O GLU A 58 4.164 6.705 -3.362 1.00 0.00 O ATOM 805 CB GLU A 58 3.950 9.998 -3.157 1.00 0.00 C ATOM 806 CG GLU A 58 3.850 11.104 -4.194 1.00 0.00 C ATOM 807 CD GLU A 58 5.083 11.987 -4.225 1.00 0.00 C ATOM 808 OE1 GLU A 58 6.191 11.453 -4.435 1.00 0.00 O ATOM 809 OE2 GLU A 58 4.938 13.214 -4.039 1.00 0.00 O ATOM 0 H GLU A 58 1.559 10.044 -2.560 1.00 0.00 H new ATOM 0 HA GLU A 58 2.987 8.628 -4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.721 10.411 -2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.978 9.638 -3.120 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.700 10.661 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.974 11.717 -3.983 1.00 0.00 H new ATOM 816 N VAL A 59 3.300 7.472 -1.431 1.00 0.00 N ATOM 817 CA VAL A 59 3.750 6.327 -0.648 1.00 0.00 C ATOM 818 C VAL A 59 3.270 5.018 -1.263 1.00 0.00 C ATOM 819 O VAL A 59 4.026 4.052 -1.361 1.00 0.00 O ATOM 820 CB VAL A 59 3.252 6.412 0.807 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.688 5.186 1.593 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.755 7.687 1.468 1.00 0.00 C ATOM 0 H VAL A 59 2.791 8.175 -0.896 1.00 0.00 H new ATOM 0 HA VAL A 59 4.840 6.348 -0.653 1.00 0.00 H new ATOM 0 HB VAL A 59 2.162 6.440 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.327 5.264 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.274 4.291 1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.776 5.123 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.394 7.731 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.845 7.692 1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.387 8.552 0.917 1.00 0.00 H new ATOM 832 N MET A 60 2.007 4.993 -1.675 1.00 0.00 N ATOM 833 CA MET A 60 1.425 3.801 -2.283 1.00 0.00 C ATOM 834 C MET A 60 2.211 3.384 -3.522 1.00 0.00 C ATOM 835 O MET A 60 2.676 2.249 -3.620 1.00 0.00 O ATOM 836 CB MET A 60 -0.038 4.053 -2.653 1.00 0.00 C ATOM 837 CG MET A 60 -0.921 4.373 -1.458 1.00 0.00 C ATOM 838 SD MET A 60 -2.491 5.121 -1.934 1.00 0.00 S ATOM 839 CE MET A 60 -3.265 3.759 -2.802 1.00 0.00 C ATOM 0 H MET A 60 1.367 5.784 -1.599 1.00 0.00 H new ATOM 0 HA MET A 60 1.473 2.992 -1.555 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.088 4.879 -3.362 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.433 3.173 -3.161 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.114 3.458 -0.899 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.389 5.049 -0.789 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.269 4.049 -3.113 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.673 3.504 -3.681 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.325 2.894 -2.142 1.00 0.00 H new ATOM 849 N ALA A 61 2.354 4.309 -4.466 1.00 0.00 N ATOM 850 CA ALA A 61 3.084 4.037 -5.697 1.00 0.00 C ATOM 851 C ALA A 61 4.297 3.151 -5.432 1.00 0.00 C ATOM 852 O ALA A 61 4.494 2.137 -6.101 1.00 0.00 O ATOM 853 CB ALA A 61 3.514 5.340 -6.355 1.00 0.00 C ATOM 0 H ALA A 61 1.974 5.253 -4.401 1.00 0.00 H new ATOM 0 HA ALA A 61 2.418 3.503 -6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.058 5.121 -7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.633 5.938 -6.589 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.159 5.896 -5.674 1.00 0.00 H new ATOM 859 N GLU A 62 5.106 3.541 -4.453 1.00 0.00 N ATOM 860 CA GLU A 62 6.301 2.782 -4.101 1.00 0.00 C ATOM 861 C GLU A 62 5.930 1.404 -3.560 1.00 0.00 C ATOM 862 O GLU A 62 6.617 0.416 -3.822 1.00 0.00 O ATOM 863 CB GLU A 62 7.129 3.543 -3.064 1.00 0.00 C ATOM 864 CG GLU A 62 7.867 4.742 -3.635 1.00 0.00 C ATOM 865 CD GLU A 62 8.967 4.345 -4.601 1.00 0.00 C ATOM 866 OE1 GLU A 62 9.592 3.285 -4.383 1.00 0.00 O ATOM 867 OE2 GLU A 62 9.203 5.092 -5.572 1.00 0.00 O ATOM 0 H GLU A 62 4.956 4.378 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 62 6.896 2.651 -5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.471 3.880 -2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.852 2.861 -2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.156 5.391 -4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.298 5.321 -2.818 1.00 0.00 H new ATOM 874 N LEU A 63 4.839 1.346 -2.804 1.00 0.00 N ATOM 875 CA LEU A 63 4.376 0.090 -2.224 1.00 0.00 C ATOM 876 C LEU A 63 3.922 -0.877 -3.313 1.00 0.00 C ATOM 877 O LEU A 63 4.231 -2.067 -3.268 1.00 0.00 O ATOM 878 CB LEU A 63 3.229 0.349 -1.246 1.00 0.00 C ATOM 879 CG LEU A 63 3.628 0.899 0.124 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.404 1.401 0.874 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.353 -0.164 0.935 1.00 0.00 C ATOM 0 H LEU A 63 4.259 2.154 -2.578 1.00 0.00 H new ATOM 0 HA LEU A 63 5.209 -0.362 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.535 1.050 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.687 -0.585 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 63 4.307 1.738 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.707 1.789 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.926 2.195 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.701 0.580 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.629 0.245 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.698 -1.024 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.252 -0.476 0.404 1.00 0.00 H new ATOM 893 N ALA A 64 3.188 -0.356 -4.291 1.00 0.00 N ATOM 894 CA ALA A 64 2.695 -1.172 -5.394 1.00 0.00 C ATOM 895 C ALA A 64 3.816 -2.009 -6.001 1.00 0.00 C ATOM 896 O ALA A 64 3.699 -3.229 -6.121 1.00 0.00 O ATOM 897 CB ALA A 64 2.055 -0.292 -6.457 1.00 0.00 C ATOM 0 H ALA A 64 2.922 0.627 -4.342 1.00 0.00 H new ATOM 0 HA ALA A 64 1.941 -1.853 -5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.691 -0.915 -7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.221 0.257 -6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.794 0.413 -6.839 1.00 0.00 H new ATOM 903 N LYS A 65 4.902 -1.346 -6.385 1.00 0.00 N ATOM 904 CA LYS A 65 6.045 -2.028 -6.980 1.00 0.00 C ATOM 905 C LYS A 65 6.724 -2.941 -5.964 1.00 0.00 C ATOM 906 O LYS A 65 7.053 -4.086 -6.268 1.00 0.00 O ATOM 907 CB LYS A 65 7.051 -1.008 -7.517 1.00 0.00 C ATOM 908 CG LYS A 65 7.497 0.010 -6.481 1.00 0.00 C ATOM 909 CD LYS A 65 8.396 1.070 -7.093 1.00 0.00 C ATOM 910 CE LYS A 65 7.589 2.131 -7.825 1.00 0.00 C ATOM 911 NZ LYS A 65 8.394 2.816 -8.873 1.00 0.00 N ATOM 0 H LYS A 65 5.014 -0.336 -6.295 1.00 0.00 H new ATOM 0 HA LYS A 65 5.681 -2.640 -7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.926 -1.537 -7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.607 -0.483 -8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.623 0.485 -6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.028 -0.498 -5.675 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.991 1.540 -6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.094 0.600 -7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.714 1.670 -8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.223 2.867 -7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.808 3.532 -9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.215 3.278 -8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.722 2.118 -9.571 1.00 0.00 H new ATOM 925 N GLU A 66 6.928 -2.425 -4.755 1.00 0.00 N ATOM 926 CA GLU A 66 7.567 -3.195 -3.695 1.00 0.00 C ATOM 927 C GLU A 66 6.861 -4.532 -3.492 1.00 0.00 C ATOM 928 O GLU A 66 7.504 -5.578 -3.391 1.00 0.00 O ATOM 929 CB GLU A 66 7.565 -2.402 -2.386 1.00 0.00 C ATOM 930 CG GLU A 66 8.459 -2.998 -1.312 1.00 0.00 C ATOM 931 CD GLU A 66 9.861 -3.287 -1.813 1.00 0.00 C ATOM 932 OE1 GLU A 66 10.586 -2.321 -2.134 1.00 0.00 O ATOM 933 OE2 GLU A 66 10.233 -4.476 -1.885 1.00 0.00 O ATOM 0 H GLU A 66 6.660 -1.478 -4.486 1.00 0.00 H new ATOM 0 HA GLU A 66 8.597 -3.389 -3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.887 -1.381 -2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.545 -2.345 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.514 -2.311 -0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.012 -3.921 -0.943 1.00 0.00 H new ATOM 940 N LEU A 67 5.534 -4.491 -3.433 1.00 0.00 N ATOM 941 CA LEU A 67 4.739 -5.699 -3.242 1.00 0.00 C ATOM 942 C LEU A 67 3.918 -6.014 -4.489 1.00 0.00 C ATOM 943 O LEU A 67 2.811 -5.509 -4.677 1.00 0.00 O ATOM 944 CB LEU A 67 3.813 -5.538 -2.035 1.00 0.00 C ATOM 945 CG LEU A 67 4.481 -5.110 -0.728 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.434 -4.786 0.326 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.424 -6.196 -0.231 1.00 0.00 C ATOM 0 H LEU A 67 4.986 -3.634 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 67 5.422 -6.529 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.047 -4.804 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.302 -6.486 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 67 5.065 -4.209 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.928 -4.483 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.800 -3.974 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.822 -5.668 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.891 -5.874 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.862 -7.114 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.195 -6.379 -0.979 1.00 0.00 H new ATOM 959 N PRO A 68 4.472 -6.869 -5.361 1.00 0.00 N ATOM 960 CA PRO A 68 3.807 -7.273 -6.604 1.00 0.00 C ATOM 961 C PRO A 68 2.594 -8.162 -6.350 1.00 0.00 C ATOM 962 O PRO A 68 1.763 -8.359 -7.235 1.00 0.00 O ATOM 963 CB PRO A 68 4.893 -8.050 -7.351 1.00 0.00 C ATOM 964 CG PRO A 68 5.801 -8.554 -6.282 1.00 0.00 C ATOM 965 CD PRO A 68 5.788 -7.509 -5.201 1.00 0.00 C ATOM 0 HA PRO A 68 3.420 -6.417 -7.157 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.467 -8.871 -7.928 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.426 -7.409 -8.054 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.458 -9.515 -5.900 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.810 -8.706 -6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.901 -7.953 -4.212 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.601 -6.793 -5.324 1.00 0.00 H new ATOM 973 N GLN A 69 2.501 -8.696 -5.136 1.00 0.00 N ATOM 974 CA GLN A 69 1.390 -9.565 -4.768 1.00 0.00 C ATOM 975 C GLN A 69 0.323 -8.789 -4.002 1.00 0.00 C ATOM 976 O GLN A 69 -0.412 -9.356 -3.194 1.00 0.00 O ATOM 977 CB GLN A 69 1.890 -10.737 -3.923 1.00 0.00 C ATOM 978 CG GLN A 69 2.438 -10.320 -2.568 1.00 0.00 C ATOM 979 CD GLN A 69 3.915 -9.979 -2.615 1.00 0.00 C ATOM 980 OE1 GLN A 69 4.498 -9.846 -3.692 1.00 0.00 O ATOM 981 NE2 GLN A 69 4.527 -9.834 -1.446 1.00 0.00 N ATOM 0 H GLN A 69 3.181 -8.542 -4.392 1.00 0.00 H new ATOM 0 HA GLN A 69 0.945 -9.951 -5.685 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.072 -11.441 -3.774 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.669 -11.265 -4.474 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.881 -9.456 -2.205 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.278 -11.126 -1.852 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.004 -9.953 -0.578 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.520 -9.603 -1.415 1.00 0.00 H new ATOM 990 N VAL A 70 0.244 -7.487 -4.261 1.00 0.00 N ATOM 991 CA VAL A 70 -0.733 -6.633 -3.597 1.00 0.00 C ATOM 992 C VAL A 70 -1.505 -5.793 -4.607 1.00 0.00 C ATOM 993 O VAL A 70 -0.996 -5.472 -5.681 1.00 0.00 O ATOM 994 CB VAL A 70 -0.058 -5.698 -2.576 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.068 -4.712 -2.006 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.597 -6.505 -1.466 1.00 0.00 C ATOM 0 H VAL A 70 0.845 -7.001 -4.926 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.425 -7.292 -3.073 1.00 0.00 H new ATOM 0 HB VAL A 70 0.719 -5.130 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.573 -4.060 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.485 -4.111 -2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.869 -5.259 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.069 -5.828 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.159 -7.100 -0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.351 -7.166 -1.893 1.00 0.00 H new ATOM 1006 N SER A 71 -2.737 -5.439 -4.256 1.00 0.00 N ATOM 1007 CA SER A 71 -3.582 -4.638 -5.134 1.00 0.00 C ATOM 1008 C SER A 71 -3.935 -3.305 -4.481 1.00 0.00 C ATOM 1009 O SER A 71 -4.716 -3.253 -3.530 1.00 0.00 O ATOM 1010 CB SER A 71 -4.861 -5.402 -5.482 1.00 0.00 C ATOM 1011 OG SER A 71 -4.576 -6.537 -6.281 1.00 0.00 O ATOM 0 H SER A 71 -3.172 -5.694 -3.370 1.00 0.00 H new ATOM 0 HA SER A 71 -3.025 -4.438 -6.050 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.362 -5.715 -4.566 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.549 -4.743 -6.012 1.00 0.00 H new ATOM 0 HG SER A 71 -4.873 -7.347 -5.816 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.353 -2.228 -4.998 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.603 -0.894 -4.465 1.00 0.00 C ATOM 1019 C PHE A 72 -4.612 -0.144 -5.330 1.00 0.00 C ATOM 1020 O PHE A 72 -4.429 -0.006 -6.540 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.297 -0.101 -4.382 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.285 -0.709 -3.454 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -0.484 -1.759 -3.873 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -1.134 -0.231 -2.162 1.00 0.00 C ATOM 1025 CE1 PHE A 72 0.448 -2.321 -3.020 1.00 0.00 C ATOM 1026 CE2 PHE A 72 -0.204 -0.788 -1.305 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.589 -1.834 -1.735 1.00 0.00 C ATOM 0 H PHE A 72 -2.705 -2.253 -5.785 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.018 -1.002 -3.463 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.864 -0.024 -5.379 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.518 0.914 -4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.589 -2.143 -4.877 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.751 0.587 -1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.065 -3.140 -3.358 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.097 -0.406 -0.300 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.318 -2.270 -1.068 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.679 0.339 -4.701 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.717 1.076 -5.411 1.00 0.00 C ATOM 1039 C VAL A 73 -7.163 2.300 -4.618 1.00 0.00 C ATOM 1040 O VAL A 73 -7.495 2.201 -3.437 1.00 0.00 O ATOM 1041 CB VAL A 73 -7.943 0.187 -5.693 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.595 -0.898 -6.701 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.468 -0.422 -4.402 1.00 0.00 C ATOM 0 H VAL A 73 -5.847 0.233 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.285 1.398 -6.358 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.730 0.808 -6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.473 -1.516 -6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.270 -0.437 -7.634 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.792 -1.519 -6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.334 -1.047 -4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.688 -1.030 -3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.758 0.374 -3.716 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.168 3.454 -5.277 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.575 4.699 -4.635 1.00 0.00 C ATOM 1055 C LYS A 74 -8.925 5.168 -5.166 1.00 0.00 C ATOM 1056 O LYS A 74 -9.117 5.299 -6.376 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.519 5.783 -4.865 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.410 6.228 -6.313 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.231 7.163 -6.522 1.00 0.00 C ATOM 1060 CE LYS A 74 -5.445 8.071 -7.724 1.00 0.00 C ATOM 1061 NZ LYS A 74 -4.399 9.127 -7.814 1.00 0.00 N ATOM 0 H LYS A 74 -6.895 3.553 -6.255 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.670 4.514 -3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.757 6.647 -4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.550 5.410 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.301 5.354 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.331 6.730 -6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.084 7.769 -5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.322 6.578 -6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.438 7.474 -8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.428 8.538 -7.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.580 9.725 -8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.422 9.713 -6.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.463 8.682 -7.904 1.00 0.00 H new ATOM 1075 N LEU A 75 -9.858 5.422 -4.255 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.191 5.880 -4.632 1.00 0.00 C ATOM 1077 C LEU A 75 -11.503 7.231 -3.998 1.00 0.00 C ATOM 1078 O LEU A 75 -11.133 7.490 -2.853 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.242 4.851 -4.210 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.689 5.345 -4.180 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.653 4.186 -4.388 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -13.983 6.055 -2.867 1.00 0.00 C ATOM 0 H LEU A 75 -9.716 5.319 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.216 5.994 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.183 4.001 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.984 4.483 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.827 6.057 -4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.678 4.556 -4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.459 3.720 -5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.514 3.450 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.017 6.400 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.828 5.365 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.315 6.910 -2.758 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.186 8.089 -4.750 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.548 9.413 -4.260 1.00 0.00 C ATOM 1096 C GLU A 76 -13.853 9.364 -3.471 1.00 0.00 C ATOM 1097 O GLU A 76 -14.917 9.093 -4.027 1.00 0.00 O ATOM 1098 CB GLU A 76 -12.681 10.394 -5.427 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.513 11.849 -5.021 1.00 0.00 C ATOM 1100 CD GLU A 76 -13.090 12.810 -6.043 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -14.149 12.494 -6.624 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -12.481 13.878 -6.261 1.00 0.00 O ATOM 0 H GLU A 76 -12.499 7.890 -5.700 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.755 9.755 -3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.936 10.148 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.660 10.265 -5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.999 12.012 -4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.453 12.064 -4.883 1.00 0.00 H new ATOM 1109 N ALA A 77 -13.763 9.627 -2.172 1.00 0.00 N ATOM 1110 CA ALA A 77 -14.936 9.614 -1.306 1.00 0.00 C ATOM 1111 C ALA A 77 -16.080 10.413 -1.920 1.00 0.00 C ATOM 1112 O ALA A 77 -17.222 9.956 -1.950 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.584 10.164 0.068 1.00 0.00 C ATOM 0 H ALA A 77 -12.890 9.852 -1.695 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.266 8.581 -1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.469 10.148 0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.804 9.549 0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.227 11.189 -0.031 1.00 0.00 H new ATOM 1119 N GLU A 78 -15.766 11.609 -2.408 1.00 0.00 N ATOM 1120 CA GLU A 78 -16.770 12.472 -3.020 1.00 0.00 C ATOM 1121 C GLU A 78 -17.160 11.957 -4.402 1.00 0.00 C ATOM 1122 O GLU A 78 -18.275 12.184 -4.869 1.00 0.00 O ATOM 1123 CB GLU A 78 -16.245 13.905 -3.127 1.00 0.00 C ATOM 1124 CG GLU A 78 -15.987 14.562 -1.781 1.00 0.00 C ATOM 1125 CD GLU A 78 -16.126 16.071 -1.832 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -16.862 16.569 -2.709 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -15.499 16.753 -0.995 1.00 0.00 O ATOM 0 H GLU A 78 -14.825 12.002 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.656 12.464 -2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.320 13.902 -3.703 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.965 14.506 -3.683 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.685 14.161 -1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.984 14.305 -1.442 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.232 11.261 -5.052 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.497 10.725 -6.374 1.00 0.00 C ATOM 1136 C GLY A 79 -17.477 9.569 -6.345 1.00 0.00 C ATOM 1137 O GLY A 79 -18.430 9.533 -7.124 1.00 0.00 O ATOM 0 H GLY A 79 -15.301 11.059 -4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.892 11.516 -7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.561 10.392 -6.822 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.242 8.618 -5.446 1.00 0.00 N ATOM 1142 CA VAL A 80 -18.111 7.454 -5.319 1.00 0.00 C ATOM 1143 C VAL A 80 -18.788 7.420 -3.954 1.00 0.00 C ATOM 1144 O VAL A 80 -18.313 6.783 -3.014 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.328 6.144 -5.525 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.246 4.942 -5.366 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -16.655 6.134 -6.889 1.00 0.00 C ATOM 0 H VAL A 80 -16.457 8.631 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 80 -18.871 7.540 -6.096 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.552 6.082 -4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.675 4.026 -5.515 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -18.676 4.943 -4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -19.046 4.995 -6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.106 5.201 -7.017 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.412 6.220 -7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.964 6.974 -6.960 1.00 0.00 H new ATOM 1157 N PRO A 81 -19.925 8.122 -3.839 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.693 8.187 -2.593 1.00 0.00 C ATOM 1159 C PRO A 81 -21.363 6.859 -2.254 1.00 0.00 C ATOM 1160 O PRO A 81 -21.606 6.557 -1.087 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.747 9.259 -2.881 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.903 9.248 -4.362 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.549 8.905 -4.919 1.00 0.00 C ATOM 0 HA PRO A 81 -20.059 8.412 -1.735 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.689 9.032 -2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.425 10.237 -2.524 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.649 8.515 -4.670 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -22.240 10.219 -4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.628 8.328 -5.840 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -19.972 9.800 -5.152 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.658 6.072 -3.283 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.301 4.776 -3.093 1.00 0.00 C ATOM 1173 C GLU A 82 -21.522 3.924 -2.096 1.00 0.00 C ATOM 1174 O GLU A 82 -22.075 3.448 -1.104 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.417 4.039 -4.429 1.00 0.00 C ATOM 1176 CG GLU A 82 -23.127 2.699 -4.325 1.00 0.00 C ATOM 1177 CD GLU A 82 -23.820 2.304 -5.614 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -24.573 3.136 -6.163 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -23.610 1.163 -6.075 1.00 0.00 O ATOM 0 H GLU A 82 -21.463 6.308 -4.256 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.300 4.950 -2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -22.953 4.671 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.418 3.881 -4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -22.404 1.929 -4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -23.861 2.743 -3.521 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.234 3.735 -2.366 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.378 2.941 -1.493 1.00 0.00 C ATOM 1188 C VAL A 83 -19.168 3.634 -0.151 1.00 0.00 C ATOM 1189 O VAL A 83 -19.282 3.011 0.905 1.00 0.00 O ATOM 1190 CB VAL A 83 -18.006 2.677 -2.142 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.100 1.918 -1.184 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.173 1.915 -3.448 1.00 0.00 C ATOM 0 H VAL A 83 -19.761 4.121 -3.183 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.885 1.990 -1.332 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.537 3.636 -2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.135 1.740 -1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -16.955 2.506 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.560 0.963 -0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.194 1.737 -3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.662 0.961 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.783 2.501 -4.136 1.00 0.00 H new ATOM 1202 N SER A 84 -18.861 4.926 -0.200 1.00 0.00 N ATOM 1203 CA SER A 84 -18.632 5.704 1.012 1.00 0.00 C ATOM 1204 C SER A 84 -19.808 5.569 1.975 1.00 0.00 C ATOM 1205 O SER A 84 -19.626 5.526 3.191 1.00 0.00 O ATOM 1206 CB SER A 84 -18.410 7.177 0.664 1.00 0.00 C ATOM 1207 OG SER A 84 -17.283 7.337 -0.179 1.00 0.00 O ATOM 0 H SER A 84 -18.765 5.456 -1.066 1.00 0.00 H new ATOM 0 HA SER A 84 -17.739 5.315 1.500 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.297 7.575 0.171 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.269 7.753 1.579 1.00 0.00 H new ATOM 0 HG SER A 84 -17.544 7.171 -1.109 1.00 0.00 H new ATOM 1213 N GLU A 85 -21.015 5.502 1.420 1.00 0.00 N ATOM 1214 CA GLU A 85 -22.221 5.373 2.229 1.00 0.00 C ATOM 1215 C GLU A 85 -22.244 4.034 2.961 1.00 0.00 C ATOM 1216 O GLU A 85 -22.352 3.984 4.186 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.467 5.509 1.352 1.00 0.00 C ATOM 1218 CG GLU A 85 -24.719 5.885 2.127 1.00 0.00 C ATOM 1219 CD GLU A 85 -24.769 7.361 2.473 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -23.706 7.931 2.795 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -25.872 7.944 2.421 1.00 0.00 O ATOM 0 H GLU A 85 -21.183 5.535 0.414 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.218 6.173 2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.282 6.264 0.588 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -23.640 4.566 0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -25.598 5.623 1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -24.764 5.299 3.045 1.00 0.00 H new ATOM 1228 N LYS A 86 -22.142 2.949 2.200 1.00 0.00 N ATOM 1229 CA LYS A 86 -22.151 1.608 2.774 1.00 0.00 C ATOM 1230 C LYS A 86 -21.235 1.532 3.991 1.00 0.00 C ATOM 1231 O LYS A 86 -21.682 1.231 5.098 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.713 0.581 1.727 1.00 0.00 C ATOM 1233 CG LYS A 86 -21.773 -0.854 2.222 1.00 0.00 C ATOM 1234 CD LYS A 86 -20.778 -1.738 1.489 1.00 0.00 C ATOM 1235 CE LYS A 86 -20.566 -3.059 2.213 1.00 0.00 C ATOM 1236 NZ LYS A 86 -19.611 -2.922 3.348 1.00 0.00 N ATOM 0 H LYS A 86 -22.052 2.972 1.184 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.169 1.382 3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.347 0.680 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.694 0.806 1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -21.565 -0.880 3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -22.781 -1.246 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -21.136 -1.930 0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.826 -1.216 1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -21.522 -3.427 2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.190 -3.802 1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -19.608 -3.799 3.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -18.655 -2.745 2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -19.902 -2.127 3.952 1.00 0.00 H new ATOM 1250 N TYR A 87 -19.953 1.806 3.780 1.00 0.00 N ATOM 1251 CA TYR A 87 -18.974 1.767 4.860 1.00 0.00 C ATOM 1252 C TYR A 87 -19.070 3.019 5.727 1.00 0.00 C ATOM 1253 O TYR A 87 -18.496 3.080 6.813 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.561 1.634 4.292 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.344 0.365 3.499 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -16.916 -0.802 4.121 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -17.567 0.332 2.128 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -16.716 -1.964 3.401 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -17.371 -0.826 1.400 1.00 0.00 C ATOM 1260 CZ TYR A 87 -16.945 -1.971 2.041 1.00 0.00 C ATOM 1261 OH TYR A 87 -16.748 -3.126 1.319 1.00 0.00 O ATOM 0 H TYR A 87 -19.567 2.058 2.870 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.191 0.898 5.482 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.353 2.492 3.653 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -16.844 1.667 5.112 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -16.737 -0.800 5.186 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -17.899 1.227 1.623 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -16.382 -2.862 3.900 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -17.550 -0.835 0.335 1.00 0.00 H new ATOM 0 HH TYR A 87 -15.836 -3.452 1.466 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.801 4.016 5.237 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.972 5.267 5.967 1.00 0.00 C ATOM 1273 C GLU A 88 -18.633 5.972 6.159 1.00 0.00 C ATOM 1274 O GLU A 88 -18.323 6.451 7.250 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.623 5.005 7.326 1.00 0.00 C ATOM 1276 CG GLU A 88 -22.078 4.577 7.233 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.631 4.096 8.560 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -21.863 3.493 9.338 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -23.831 4.322 8.820 1.00 0.00 O ATOM 0 H GLU A 88 -20.283 3.982 4.339 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.623 5.915 5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -20.058 4.231 7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.557 5.909 7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.677 5.415 6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -22.172 3.781 6.495 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.843 6.031 5.092 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.538 6.678 5.143 1.00 0.00 C ATOM 1288 C ILE A 89 -16.671 8.194 5.050 1.00 0.00 C ATOM 1289 O ILE A 89 -16.609 8.767 3.962 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.620 6.184 4.009 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.337 4.689 4.167 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.322 6.976 3.995 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.440 4.365 5.342 1.00 0.00 C ATOM 0 H ILE A 89 -18.084 5.639 4.182 1.00 0.00 H new ATOM 0 HA ILE A 89 -16.092 6.413 6.102 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.128 6.340 3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.282 4.159 4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.874 4.316 3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.684 6.615 3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.542 8.032 3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.808 6.849 4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.282 3.288 5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.481 4.867 5.217 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.910 4.707 6.264 1.00 0.00 H new ATOM 1305 N SER A 90 -16.854 8.838 6.198 1.00 0.00 N ATOM 1306 CA SER A 90 -16.999 10.288 6.246 1.00 0.00 C ATOM 1307 C SER A 90 -15.723 10.944 6.767 1.00 0.00 C ATOM 1308 O SER A 90 -15.775 11.907 7.532 1.00 0.00 O ATOM 1309 CB SER A 90 -18.183 10.674 7.134 1.00 0.00 C ATOM 1310 OG SER A 90 -17.987 10.234 8.466 1.00 0.00 O ATOM 0 H SER A 90 -16.905 8.379 7.107 1.00 0.00 H new ATOM 0 HA SER A 90 -17.183 10.644 5.232 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.314 11.756 7.121 1.00 0.00 H new ATOM 0 HB3 SER A 90 -19.098 10.237 6.735 1.00 0.00 H new ATOM 0 HG SER A 90 -18.757 10.495 9.013 1.00 0.00 H new ATOM 1316 N SER A 91 -14.579 10.414 6.346 1.00 0.00 N ATOM 1317 CA SER A 91 -13.289 10.945 6.773 1.00 0.00 C ATOM 1318 C SER A 91 -12.177 10.489 5.833 1.00 0.00 C ATOM 1319 O SER A 91 -12.178 9.354 5.356 1.00 0.00 O ATOM 1320 CB SER A 91 -12.978 10.499 8.203 1.00 0.00 C ATOM 1321 OG SER A 91 -12.665 9.118 8.250 1.00 0.00 O ATOM 0 H SER A 91 -14.519 9.618 5.711 1.00 0.00 H new ATOM 0 HA SER A 91 -13.344 12.033 6.743 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.141 11.078 8.594 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.835 10.703 8.845 1.00 0.00 H new ATOM 0 HG SER A 91 -12.469 8.858 9.174 1.00 0.00 H new ATOM 1327 N VAL A 92 -11.229 11.383 5.571 1.00 0.00 N ATOM 1328 CA VAL A 92 -10.110 11.074 4.689 1.00 0.00 C ATOM 1329 C VAL A 92 -8.834 11.764 5.158 1.00 0.00 C ATOM 1330 O VAL A 92 -8.865 12.826 5.780 1.00 0.00 O ATOM 1331 CB VAL A 92 -10.405 11.498 3.238 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -11.550 10.676 2.664 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.718 12.985 3.170 1.00 0.00 C ATOM 0 H VAL A 92 -11.214 12.327 5.957 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.970 9.994 4.723 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.517 11.310 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.744 10.989 1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.281 9.620 2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.446 10.829 3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.924 13.267 2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.591 13.202 3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.864 13.554 3.538 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.682 11.148 4.854 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.632 9.883 4.115 1.00 0.00 C ATOM 1345 C PRO A 93 -8.156 8.710 4.936 1.00 0.00 C ATOM 1346 O PRO A 93 -8.304 8.809 6.155 1.00 0.00 O ATOM 1347 CB PRO A 93 -6.141 9.704 3.818 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.447 10.471 4.890 1.00 0.00 C ATOM 1349 CD PRO A 93 -6.339 11.638 5.209 1.00 0.00 C ATOM 0 HA PRO A 93 -8.258 9.908 3.223 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.857 8.652 3.837 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.886 10.086 2.829 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.286 9.851 5.772 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.467 10.810 4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.277 11.915 6.261 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.068 12.521 4.631 1.00 0.00 H new ATOM 1357 N THR A 94 -8.435 7.599 4.262 1.00 0.00 N ATOM 1358 CA THR A 94 -8.943 6.407 4.929 1.00 0.00 C ATOM 1359 C THR A 94 -8.714 5.162 4.080 1.00 0.00 C ATOM 1360 O THR A 94 -9.221 5.058 2.963 1.00 0.00 O ATOM 1361 CB THR A 94 -10.447 6.535 5.238 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.649 7.458 6.314 1.00 0.00 O ATOM 1363 CG2 THR A 94 -11.040 5.183 5.605 1.00 0.00 C ATOM 0 H THR A 94 -8.318 7.500 3.254 1.00 0.00 H new ATOM 0 HA THR A 94 -8.394 6.310 5.866 1.00 0.00 H new ATOM 0 HB THR A 94 -10.950 6.904 4.344 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.231 8.188 6.014 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.103 5.298 5.819 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.910 4.491 4.773 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.533 4.790 6.486 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.948 4.218 4.617 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.652 2.979 3.908 1.00 0.00 C ATOM 1373 C PHE A 95 -8.539 1.842 4.407 1.00 0.00 C ATOM 1374 O PHE A 95 -8.874 1.773 5.590 1.00 0.00 O ATOM 1375 CB PHE A 95 -6.178 2.606 4.084 1.00 0.00 C ATOM 1376 CG PHE A 95 -5.236 3.743 3.812 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.980 4.696 4.785 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.606 3.860 2.584 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -4.113 5.743 4.539 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.737 4.905 2.332 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.491 5.849 3.310 1.00 0.00 C ATOM 0 H PHE A 95 -7.521 4.288 5.541 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.856 3.137 2.849 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.021 2.250 5.102 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.939 1.778 3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.464 4.619 5.747 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.796 3.126 1.815 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.922 6.478 5.307 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.251 4.983 1.371 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.814 6.668 3.114 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.916 0.951 3.496 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.765 -0.184 3.842 1.00 0.00 C ATOM 1393 C LEU A 96 -9.197 -1.481 3.275 1.00 0.00 C ATOM 1394 O LEU A 96 -9.289 -1.740 2.075 1.00 0.00 O ATOM 1395 CB LEU A 96 -11.185 0.037 3.316 1.00 0.00 C ATOM 1396 CG LEU A 96 -12.069 0.970 4.143 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.370 1.260 3.411 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -12.349 0.367 5.511 1.00 0.00 C ATOM 0 H LEU A 96 -8.647 0.993 2.513 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.795 -0.266 4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.118 0.435 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.680 -0.932 3.245 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.537 1.911 4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.987 1.926 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.151 1.736 2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.906 0.327 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.980 1.045 6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.860 -0.588 5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.408 0.211 6.039 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.611 -2.294 4.148 1.00 0.00 N ATOM 1411 CA PHE A 97 -8.028 -3.566 3.735 1.00 0.00 C ATOM 1412 C PHE A 97 -9.110 -4.627 3.554 1.00 0.00 C ATOM 1413 O PHE A 97 -9.910 -4.874 4.457 1.00 0.00 O ATOM 1414 CB PHE A 97 -7.002 -4.040 4.766 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.825 -3.117 4.908 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -4.712 -3.262 4.096 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -5.833 -2.104 5.853 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -3.628 -2.415 4.225 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -4.752 -1.253 5.986 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.648 -1.408 5.171 1.00 0.00 C ATOM 0 H PHE A 97 -8.527 -2.095 5.145 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.528 -3.414 2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.492 -4.142 5.734 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.645 -5.030 4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.691 -4.046 3.354 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.694 -1.978 6.493 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.766 -2.540 3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.771 -0.467 6.727 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.802 -0.744 5.273 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.130 -5.249 2.380 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.114 -6.282 2.079 1.00 0.00 C ATOM 1432 C PHE A 98 -9.430 -7.601 1.733 1.00 0.00 C ATOM 1433 O PHE A 98 -8.519 -7.643 0.905 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.010 -5.840 0.920 1.00 0.00 C ATOM 1435 CG PHE A 98 -11.841 -4.629 1.233 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -13.008 -4.744 1.971 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.455 -3.374 0.789 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -13.775 -3.632 2.261 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.218 -2.258 1.077 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.379 -2.387 1.813 1.00 0.00 C ATOM 0 H PHE A 98 -8.476 -5.056 1.622 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.728 -6.434 2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.388 -5.629 0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.670 -6.663 0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.322 -5.715 2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -10.548 -3.267 0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.683 -3.736 2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -11.906 -1.285 0.726 1.00 0.00 H new ATOM 0 HZ PHE A 98 -13.976 -1.516 2.038 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.875 -8.677 2.372 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.308 -9.999 2.134 1.00 0.00 C ATOM 1452 C LYS A 99 -10.389 -10.986 1.704 1.00 0.00 C ATOM 1453 O LYS A 99 -11.174 -11.456 2.525 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.607 -10.512 3.394 1.00 0.00 C ATOM 1455 CG LYS A 99 -7.450 -11.453 3.107 1.00 0.00 C ATOM 1456 CD LYS A 99 -6.229 -10.700 2.608 1.00 0.00 C ATOM 1457 CE LYS A 99 -4.946 -11.466 2.895 1.00 0.00 C ATOM 1458 NZ LYS A 99 -4.705 -11.616 4.357 1.00 0.00 N ATOM 0 H LYS A 99 -10.628 -8.660 3.060 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.578 -9.913 1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.238 -9.661 3.966 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.335 -11.026 4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.194 -12.003 4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.754 -12.189 2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.319 -10.528 1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.184 -9.721 3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.000 -12.452 2.433 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.103 -10.946 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.684 -11.707 4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.069 -10.780 4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.193 -12.466 4.704 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.421 -11.295 0.411 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.405 -12.227 -0.127 1.00 0.00 C ATOM 1474 C ASN A 100 -12.803 -11.615 -0.104 1.00 0.00 C ATOM 1475 O ASN A 100 -13.779 -12.284 0.236 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.394 -13.531 0.672 1.00 0.00 C ATOM 1477 CG ASN A 100 -11.782 -14.730 -0.172 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -12.963 -14.968 -0.426 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -10.787 -15.492 -0.611 1.00 0.00 N ATOM 0 H ASN A 100 -9.777 -10.914 -0.282 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.138 -12.441 -1.162 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.399 -13.690 1.089 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.082 -13.444 1.513 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -10.987 -16.312 -1.183 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -9.823 -15.257 -0.376 1.00 0.00 H new ATOM 1486 N SER A 101 -12.891 -10.340 -0.468 1.00 0.00 N ATOM 1487 CA SER A 101 -14.168 -9.636 -0.486 1.00 0.00 C ATOM 1488 C SER A 101 -14.715 -9.468 0.928 1.00 0.00 C ATOM 1489 O SER A 101 -15.928 -9.454 1.137 1.00 0.00 O ATOM 1490 CB SER A 101 -15.179 -10.393 -1.350 1.00 0.00 C ATOM 1491 OG SER A 101 -14.654 -10.653 -2.640 1.00 0.00 O ATOM 0 H SER A 101 -12.093 -9.773 -0.755 1.00 0.00 H new ATOM 0 HA SER A 101 -14.004 -8.647 -0.913 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.444 -11.333 -0.866 1.00 0.00 H new ATOM 0 HB3 SER A 101 -16.096 -9.810 -1.438 1.00 0.00 H new ATOM 0 HG SER A 101 -13.986 -9.972 -2.865 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.812 -9.341 1.894 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.204 -9.174 3.289 1.00 0.00 C ATOM 1499 C GLN A 102 -13.188 -8.320 4.041 1.00 0.00 C ATOM 1500 O GLN A 102 -12.017 -8.683 4.152 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.344 -10.538 3.967 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.530 -11.347 3.467 1.00 0.00 C ATOM 1503 CD GLN A 102 -16.851 -10.853 4.025 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -17.406 -11.443 4.952 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -17.361 -9.764 3.462 1.00 0.00 N ATOM 0 H GLN A 102 -12.804 -9.350 1.737 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.167 -8.664 3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.430 -11.110 3.805 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.442 -10.391 5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -15.561 -11.304 2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.393 -12.393 3.741 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -16.867 -9.307 2.696 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -18.247 -9.385 3.796 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.645 -7.184 4.557 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.777 -6.278 5.300 1.00 0.00 C ATOM 1516 C LYS A 103 -12.167 -6.979 6.510 1.00 0.00 C ATOM 1517 O LYS A 103 -12.882 -7.409 7.415 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.562 -5.045 5.754 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.693 -3.965 6.374 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.526 -2.794 6.868 1.00 0.00 C ATOM 1521 CE LYS A 103 -14.306 -3.156 8.123 1.00 0.00 C ATOM 1522 NZ LYS A 103 -15.302 -2.107 8.478 1.00 0.00 N ATOM 0 H LYS A 103 -14.612 -6.869 4.474 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.969 -5.964 4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.092 -4.627 4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.317 -5.352 6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.126 -4.385 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.969 -3.613 5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.875 -1.945 7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.218 -2.482 6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.818 -4.106 7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.614 -3.296 8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.813 -2.390 9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.811 -1.206 8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.978 -1.991 7.696 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.843 -7.089 6.518 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.138 -7.735 7.618 1.00 0.00 C ATOM 1538 C ILE A 104 -9.460 -6.706 8.517 1.00 0.00 C ATOM 1539 O ILE A 104 -9.347 -6.902 9.727 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.078 -8.727 7.103 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.070 -8.008 6.203 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -9.744 -9.871 6.353 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -6.795 -8.790 5.980 1.00 0.00 C ATOM 0 H ILE A 104 -10.237 -6.739 5.776 1.00 0.00 H new ATOM 0 HA ILE A 104 -10.886 -8.281 8.194 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.543 -9.141 7.958 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.536 -7.805 5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.822 -7.043 6.646 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -8.982 -10.564 5.995 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.426 -10.396 7.021 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.301 -9.474 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.127 -8.221 5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.306 -8.970 6.938 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.031 -9.744 5.508 1.00 0.00 H new ATOM 1555 N ASP A 105 -9.012 -5.609 7.917 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.348 -4.546 8.663 1.00 0.00 C ATOM 1557 C ASP A 105 -8.749 -3.175 8.129 1.00 0.00 C ATOM 1558 O ASP A 105 -9.428 -3.070 7.108 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.829 -4.713 8.587 1.00 0.00 C ATOM 1560 CG ASP A 105 -6.110 -3.982 9.703 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -6.073 -4.514 10.833 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -5.585 -2.878 9.448 1.00 0.00 O ATOM 0 H ASP A 105 -9.096 -5.432 6.916 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.662 -4.616 9.705 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.580 -5.773 8.632 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.473 -4.342 7.626 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.324 -2.126 8.827 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.641 -0.761 8.424 1.00 0.00 C ATOM 1569 C ARG A 106 -7.706 0.236 9.102 1.00 0.00 C ATOM 1570 O ARG A 106 -7.330 0.061 10.262 1.00 0.00 O ATOM 1571 CB ARG A 106 -10.094 -0.430 8.768 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.440 1.040 8.597 1.00 0.00 C ATOM 1573 CD ARG A 106 -11.591 1.450 9.502 1.00 0.00 C ATOM 1574 NE ARG A 106 -12.249 2.667 9.033 1.00 0.00 N ATOM 1575 CZ ARG A 106 -13.088 3.382 9.776 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -13.368 3.004 11.015 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -13.647 4.477 9.278 1.00 0.00 N ATOM 0 H ARG A 106 -7.760 -2.196 9.674 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.504 -0.685 7.345 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.753 -1.026 8.136 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.290 -0.723 9.799 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.565 1.649 8.821 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.706 1.234 7.558 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.319 0.640 9.552 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.218 1.606 10.514 1.00 0.00 H new ATOM 0 HE ARG A 106 -12.054 2.985 8.084 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.939 2.163 11.401 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -14.012 3.554 11.583 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.433 4.770 8.325 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.291 5.025 9.848 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.334 1.281 8.371 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.443 2.307 8.902 1.00 0.00 C ATOM 1593 C LEU A 107 -7.045 3.697 8.723 1.00 0.00 C ATOM 1594 O LEU A 107 -7.280 4.143 7.599 1.00 0.00 O ATOM 1595 CB LEU A 107 -5.082 2.236 8.208 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.894 2.778 9.004 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.586 2.451 8.300 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -4.030 4.280 9.208 1.00 0.00 C ATOM 0 H LEU A 107 -7.635 1.440 7.410 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.311 2.123 9.968 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.880 1.195 7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.146 2.786 7.269 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.887 2.297 9.982 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.752 2.844 8.881 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.484 1.370 8.205 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.583 2.904 7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.176 4.649 9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.063 4.777 8.239 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.949 4.491 9.755 1.00 0.00 H new ATOM 1610 N ASP A 108 -7.291 4.378 9.837 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.863 5.719 9.803 1.00 0.00 C ATOM 1612 C ASP A 108 -6.782 6.776 10.005 1.00 0.00 C ATOM 1613 O ASP A 108 -5.897 6.621 10.846 1.00 0.00 O ATOM 1614 CB ASP A 108 -8.942 5.863 10.878 1.00 0.00 C ATOM 1615 CG ASP A 108 -9.444 7.288 11.006 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -9.838 7.873 9.976 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -9.443 7.817 12.137 1.00 0.00 O ATOM 0 H ASP A 108 -7.103 4.023 10.775 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.315 5.870 8.823 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.778 5.206 10.640 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -8.542 5.534 11.837 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.859 7.850 9.226 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.880 8.917 9.334 1.00 0.00 C ATOM 1624 C GLY A 109 -4.692 8.708 8.416 1.00 0.00 C ATOM 1625 O GLY A 109 -4.255 7.577 8.203 1.00 0.00 O ATOM 0 H GLY A 109 -7.581 8.001 8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.356 9.868 9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.532 8.984 10.365 1.00 0.00 H new ATOM 1629 N ALA A 110 -4.170 9.801 7.869 1.00 0.00 N ATOM 1630 CA ALA A 110 -3.025 9.732 6.969 1.00 0.00 C ATOM 1631 C ALA A 110 -1.765 9.304 7.715 1.00 0.00 C ATOM 1632 O ALA A 110 -1.142 10.106 8.412 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.807 11.076 6.289 1.00 0.00 C ATOM 0 H ALA A 110 -4.522 10.744 8.033 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.237 8.982 6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.949 11.010 5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.695 11.342 5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.621 11.840 7.044 1.00 0.00 H new ATOM 1639 N HIS A 111 -1.396 8.036 7.564 1.00 0.00 N ATOM 1640 CA HIS A 111 -0.210 7.502 8.224 1.00 0.00 C ATOM 1641 C HIS A 111 0.733 6.860 7.211 1.00 0.00 C ATOM 1642 O HIS A 111 0.402 5.844 6.599 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.609 6.479 9.287 1.00 0.00 C ATOM 1644 CG HIS A 111 -1.406 7.064 10.413 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -2.738 7.056 10.652 1.00 0.00 N flip ATOM 1646 CD2 HIS A 111 -0.834 7.758 11.458 1.00 0.00 C flip ATOM 1647 CE1 HIS A 111 -2.945 7.738 11.826 1.00 0.00 C flip ATOM 1648 NE2 HIS A 111 -1.780 8.151 12.292 1.00 0.00 N flip ATOM 0 H HIS A 111 -1.901 7.360 6.991 1.00 0.00 H new ATOM 0 HA HIS A 111 0.311 8.330 8.705 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.189 5.686 8.816 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.292 6.018 9.692 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.222 7.950 11.576 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.904 7.909 12.292 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.635 8.683 13.150 1.00 0.00 H new ATOM 1657 N ALA A 112 1.906 7.459 7.038 1.00 0.00 N ATOM 1658 CA ALA A 112 2.896 6.944 6.100 1.00 0.00 C ATOM 1659 C ALA A 112 3.469 5.615 6.581 1.00 0.00 C ATOM 1660 O ALA A 112 3.379 4.591 5.904 1.00 0.00 O ATOM 1661 CB ALA A 112 4.011 7.960 5.899 1.00 0.00 C ATOM 0 H ALA A 112 2.194 8.302 7.535 1.00 0.00 H new ATOM 0 HA ALA A 112 2.400 6.771 5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.743 7.562 5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.593 8.885 5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.497 8.161 6.854 1.00 0.00 H new ATOM 1667 N PRO A 113 4.074 5.630 7.778 1.00 0.00 N ATOM 1668 CA PRO A 113 4.674 4.433 8.376 1.00 0.00 C ATOM 1669 C PRO A 113 3.626 3.413 8.809 1.00 0.00 C ATOM 1670 O PRO A 113 3.754 2.222 8.527 1.00 0.00 O ATOM 1671 CB PRO A 113 5.421 4.982 9.595 1.00 0.00 C ATOM 1672 CG PRO A 113 4.704 6.241 9.943 1.00 0.00 C ATOM 1673 CD PRO A 113 4.219 6.815 8.641 1.00 0.00 C ATOM 0 HA PRO A 113 5.313 3.902 7.670 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.402 4.274 10.423 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.469 5.174 9.364 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.870 6.042 10.616 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.367 6.939 10.454 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.273 7.342 8.762 1.00 0.00 H new ATOM 0 HD3 PRO A 113 4.931 7.529 8.227 1.00 0.00 H new ATOM 1681 N GLU A 114 2.591 3.889 9.494 1.00 0.00 N ATOM 1682 CA GLU A 114 1.522 3.017 9.965 1.00 0.00 C ATOM 1683 C GLU A 114 0.924 2.218 8.811 1.00 0.00 C ATOM 1684 O GLU A 114 0.656 1.023 8.942 1.00 0.00 O ATOM 1685 CB GLU A 114 0.429 3.839 10.651 1.00 0.00 C ATOM 1686 CG GLU A 114 -0.300 3.084 11.750 1.00 0.00 C ATOM 1687 CD GLU A 114 0.468 3.070 13.057 1.00 0.00 C ATOM 1688 OE1 GLU A 114 1.273 2.138 13.263 1.00 0.00 O ATOM 1689 OE2 GLU A 114 0.264 3.993 13.875 1.00 0.00 O ATOM 0 H GLU A 114 2.470 4.873 9.735 1.00 0.00 H new ATOM 0 HA GLU A 114 1.948 2.319 10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.875 4.739 11.074 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.294 4.163 9.903 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.277 3.539 11.912 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.476 2.058 11.426 1.00 0.00 H new ATOM 1696 N LEU A 115 0.716 2.886 7.682 1.00 0.00 N ATOM 1697 CA LEU A 115 0.149 2.239 6.503 1.00 0.00 C ATOM 1698 C LEU A 115 1.009 1.060 6.062 1.00 0.00 C ATOM 1699 O LEU A 115 0.543 -0.079 6.012 1.00 0.00 O ATOM 1700 CB LEU A 115 0.017 3.245 5.359 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.626 2.721 4.074 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -2.132 2.594 4.245 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.295 3.632 2.901 1.00 0.00 C ATOM 0 H LEU A 115 0.931 3.875 7.557 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.840 1.865 6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.568 4.094 5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.011 3.622 5.117 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.220 1.732 3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.573 2.220 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.349 1.900 5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.555 3.571 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.761 3.243 1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.672 4.635 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.786 3.671 2.765 1.00 0.00 H new ATOM 1715 N THR A 116 2.270 1.339 5.745 1.00 0.00 N ATOM 1716 CA THR A 116 3.196 0.302 5.309 1.00 0.00 C ATOM 1717 C THR A 116 3.081 -0.941 6.184 1.00 0.00 C ATOM 1718 O THR A 116 3.071 -2.066 5.684 1.00 0.00 O ATOM 1719 CB THR A 116 4.653 0.802 5.338 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.796 1.942 4.483 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.610 -0.294 4.894 1.00 0.00 C ATOM 0 H THR A 116 2.673 2.275 5.782 1.00 0.00 H new ATOM 0 HA THR A 116 2.926 0.048 4.284 1.00 0.00 H new ATOM 0 HB THR A 116 4.898 1.083 6.362 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.418 2.731 4.924 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.633 0.082 4.923 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.519 -1.149 5.563 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.365 -0.601 3.877 1.00 0.00 H new ATOM 1729 N LYS A 117 2.992 -0.732 7.493 1.00 0.00 N ATOM 1730 CA LYS A 117 2.875 -1.835 8.439 1.00 0.00 C ATOM 1731 C LYS A 117 1.727 -2.763 8.053 1.00 0.00 C ATOM 1732 O LYS A 117 1.932 -3.951 7.803 1.00 0.00 O ATOM 1733 CB LYS A 117 2.658 -1.299 9.856 1.00 0.00 C ATOM 1734 CG LYS A 117 3.788 -0.413 10.350 1.00 0.00 C ATOM 1735 CD LYS A 117 3.866 -0.405 11.868 1.00 0.00 C ATOM 1736 CE LYS A 117 4.689 0.769 12.377 1.00 0.00 C ATOM 1737 NZ LYS A 117 6.151 0.520 12.242 1.00 0.00 N ATOM 0 H LYS A 117 2.999 0.193 7.923 1.00 0.00 H new ATOM 0 HA LYS A 117 3.804 -2.404 8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 117 1.726 -0.734 9.883 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.541 -2.140 10.540 1.00 0.00 H new ATOM 0 HG2 LYS A 117 4.734 -0.764 9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 117 3.640 0.604 9.987 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.860 -0.354 12.285 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.308 -1.339 12.216 1.00 0.00 H new ATOM 0 HE2 LYS A 117 4.421 1.668 11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 117 4.447 0.956 13.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.678 1.342 12.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 6.412 -0.324 12.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.386 0.367 11.241 1.00 0.00 H new ATOM 1751 N LYS A 118 0.518 -2.212 8.006 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.663 -2.989 7.648 1.00 0.00 C ATOM 1753 C LYS A 118 -0.523 -3.578 6.248 1.00 0.00 C ATOM 1754 O LYS A 118 -0.840 -4.745 6.020 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.916 -2.113 7.722 1.00 0.00 C ATOM 1756 CG LYS A 118 -2.424 -1.897 9.136 1.00 0.00 C ATOM 1757 CD LYS A 118 -3.384 -0.721 9.210 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.617 -0.281 10.647 1.00 0.00 C ATOM 1759 NZ LYS A 118 -2.376 0.256 11.271 1.00 0.00 N ATOM 0 H LYS A 118 0.331 -1.231 8.211 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.758 -3.809 8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.699 -1.145 7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.706 -2.572 7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.925 -2.800 9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -1.581 -1.722 9.804 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.984 0.113 8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.335 -0.997 8.754 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.395 0.482 10.672 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.981 -1.126 11.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -2.074 -0.374 12.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -1.624 0.313 10.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -2.562 1.205 11.653 1.00 0.00 H new ATOM 1773 N VAL A 119 -0.045 -2.763 5.313 1.00 0.00 N ATOM 1774 CA VAL A 119 0.139 -3.204 3.936 1.00 0.00 C ATOM 1775 C VAL A 119 1.014 -4.452 3.871 1.00 0.00 C ATOM 1776 O VAL A 119 0.570 -5.509 3.423 1.00 0.00 O ATOM 1777 CB VAL A 119 0.776 -2.099 3.072 1.00 0.00 C ATOM 1778 CG1 VAL A 119 1.042 -2.608 1.664 1.00 0.00 C ATOM 1779 CG2 VAL A 119 -0.115 -0.866 3.044 1.00 0.00 C ATOM 0 H VAL A 119 0.222 -1.794 5.484 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.851 -3.436 3.543 1.00 0.00 H new ATOM 0 HB VAL A 119 1.731 -1.819 3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.492 -1.813 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.722 -3.459 1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.103 -2.917 1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.350 -0.095 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.086 -1.128 2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.248 -0.490 4.058 1.00 0.00 H new ATOM 1789 N GLN A 120 2.257 -4.320 4.321 1.00 0.00 N ATOM 1790 CA GLN A 120 3.194 -5.437 4.313 1.00 0.00 C ATOM 1791 C GLN A 120 2.670 -6.592 5.161 1.00 0.00 C ATOM 1792 O GLN A 120 2.714 -7.750 4.744 1.00 0.00 O ATOM 1793 CB GLN A 120 4.561 -4.988 4.832 1.00 0.00 C ATOM 1794 CG GLN A 120 5.165 -3.840 4.039 1.00 0.00 C ATOM 1795 CD GLN A 120 5.984 -4.315 2.855 1.00 0.00 C ATOM 1796 OE1 GLN A 120 6.467 -5.448 2.835 1.00 0.00 O ATOM 1797 NE2 GLN A 120 6.145 -3.451 1.861 1.00 0.00 N ATOM 0 H GLN A 120 2.639 -3.451 4.696 1.00 0.00 H new ATOM 0 HA GLN A 120 3.300 -5.783 3.285 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.463 -4.687 5.875 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.246 -5.836 4.808 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.366 -3.188 3.685 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.797 -3.242 4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 120 5.727 -2.522 1.920 1.00 0.00 H new ATOM 0 HE22 GLN A 120 6.687 -3.715 1.038 1.00 0.00 H new ATOM 1806 N ARG A 121 2.175 -6.270 6.351 1.00 0.00 N ATOM 1807 CA ARG A 121 1.645 -7.281 7.257 1.00 0.00 C ATOM 1808 C ARG A 121 0.588 -8.133 6.562 1.00 0.00 C ATOM 1809 O ARG A 121 0.758 -9.342 6.401 1.00 0.00 O ATOM 1810 CB ARG A 121 1.045 -6.618 8.499 1.00 0.00 C ATOM 1811 CG ARG A 121 0.578 -7.610 9.552 1.00 0.00 C ATOM 1812 CD ARG A 121 -0.334 -6.948 10.574 1.00 0.00 C ATOM 1813 NE ARG A 121 -1.084 -7.929 11.354 1.00 0.00 N ATOM 1814 CZ ARG A 121 -0.593 -8.553 12.419 1.00 0.00 C ATOM 1815 NH1 ARG A 121 0.642 -8.299 12.829 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -1.338 -9.432 13.077 1.00 0.00 N ATOM 0 H ARG A 121 2.130 -5.316 6.710 1.00 0.00 H new ATOM 0 HA ARG A 121 2.467 -7.929 7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.788 -5.954 8.941 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.202 -5.997 8.198 1.00 0.00 H new ATOM 0 HG2 ARG A 121 0.050 -8.433 9.070 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.443 -8.039 10.058 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.262 -6.330 11.245 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.030 -6.283 10.062 1.00 0.00 H new ATOM 0 HE ARG A 121 -2.038 -8.147 11.065 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.217 -7.623 12.326 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.017 -8.779 13.647 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.289 -9.629 12.765 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.960 -9.910 13.895 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.504 -7.496 6.152 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.589 -8.196 5.474 1.00 0.00 C ATOM 1832 C HIS A 122 -1.099 -8.830 4.176 1.00 0.00 C ATOM 1833 O HIS A 122 -1.400 -9.987 3.887 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.741 -7.234 5.182 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.281 -6.557 6.405 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.700 -7.247 7.523 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.468 -5.246 6.681 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -4.122 -6.388 8.434 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -3.992 -5.167 7.948 1.00 0.00 N ATOM 0 H HIS A 122 -0.661 -6.496 6.277 1.00 0.00 H new ATOM 0 HA HIS A 122 -1.945 -8.988 6.133 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.400 -6.475 4.477 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.547 -7.783 4.695 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -3.686 -8.261 7.630 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -3.246 -4.416 6.027 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.508 -6.641 9.410 1.00 0.00 H new ATOM 1848 N ALA A 123 -0.343 -8.063 3.397 1.00 0.00 N ATOM 1849 CA ALA A 123 0.190 -8.550 2.131 1.00 0.00 C ATOM 1850 C ALA A 123 0.516 -10.038 2.208 1.00 0.00 C ATOM 1851 O ALA A 123 0.260 -10.789 1.267 1.00 0.00 O ATOM 1852 CB ALA A 123 1.428 -7.756 1.739 1.00 0.00 C ATOM 0 H ALA A 123 -0.086 -7.102 3.621 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.574 -8.412 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.816 -8.131 0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.167 -6.703 1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.190 -7.865 2.511 1.00 0.00 H new ATOM 1858 N SER A 124 1.083 -10.457 3.335 1.00 0.00 N ATOM 1859 CA SER A 124 1.448 -11.855 3.533 1.00 0.00 C ATOM 1860 C SER A 124 0.279 -12.775 3.193 1.00 0.00 C ATOM 1861 O SER A 124 -0.746 -12.772 3.874 1.00 0.00 O ATOM 1862 CB SER A 124 1.892 -12.088 4.979 1.00 0.00 C ATOM 1863 OG SER A 124 2.127 -13.464 5.224 1.00 0.00 O ATOM 0 H SER A 124 1.299 -9.849 4.125 1.00 0.00 H new ATOM 0 HA SER A 124 2.277 -12.087 2.864 1.00 0.00 H new ATOM 0 HB2 SER A 124 2.800 -11.519 5.180 1.00 0.00 H new ATOM 0 HB3 SER A 124 1.127 -11.719 5.662 1.00 0.00 H new ATOM 0 HG SER A 124 2.411 -13.587 6.154 1.00 0.00 H new ATOM 1869 N SER A 125 0.442 -13.562 2.134 1.00 0.00 N ATOM 1870 CA SER A 125 -0.600 -14.485 1.700 1.00 0.00 C ATOM 1871 C SER A 125 -0.077 -15.918 1.667 1.00 0.00 C ATOM 1872 O SER A 125 0.243 -16.449 0.605 1.00 0.00 O ATOM 1873 CB SER A 125 -1.119 -14.087 0.317 1.00 0.00 C ATOM 1874 OG SER A 125 -2.418 -14.606 0.092 1.00 0.00 O ATOM 0 H SER A 125 1.286 -13.579 1.561 1.00 0.00 H new ATOM 0 HA SER A 125 -1.420 -14.433 2.417 1.00 0.00 H new ATOM 0 HB2 SER A 125 -1.138 -13.001 0.231 1.00 0.00 H new ATOM 0 HB3 SER A 125 -0.438 -14.456 -0.450 1.00 0.00 H new ATOM 0 HG SER A 125 -2.728 -14.337 -0.798 1.00 0.00 H new ATOM 1880 N GLY A 126 0.008 -16.537 2.841 1.00 0.00 N ATOM 1881 CA GLY A 126 0.493 -17.903 2.925 1.00 0.00 C ATOM 1882 C GLY A 126 1.908 -18.049 2.401 1.00 0.00 C ATOM 1883 O GLY A 126 2.285 -17.447 1.395 1.00 0.00 O ATOM 0 H GLY A 126 -0.250 -16.118 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 126 0.457 -18.235 3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -0.170 -18.556 2.358 1.00 0.00 H new ATOM 1887 N PRO A 127 2.718 -18.865 3.091 1.00 0.00 N ATOM 1888 CA PRO A 127 4.112 -19.106 2.708 1.00 0.00 C ATOM 1889 C PRO A 127 4.228 -19.919 1.424 1.00 0.00 C ATOM 1890 O PRO A 127 3.961 -21.121 1.412 1.00 0.00 O ATOM 1891 CB PRO A 127 4.673 -19.896 3.893 1.00 0.00 C ATOM 1892 CG PRO A 127 3.487 -20.559 4.503 1.00 0.00 C ATOM 1893 CD PRO A 127 2.335 -19.615 4.300 1.00 0.00 C ATOM 0 HA PRO A 127 4.646 -18.177 2.505 1.00 0.00 H new ATOM 0 HB2 PRO A 127 5.411 -20.628 3.566 1.00 0.00 H new ATOM 0 HB3 PRO A 127 5.170 -19.239 4.607 1.00 0.00 H new ATOM 0 HG2 PRO A 127 3.291 -21.521 4.029 1.00 0.00 H new ATOM 0 HG3 PRO A 127 3.651 -20.753 5.563 1.00 0.00 H new ATOM 0 HD2 PRO A 127 1.396 -20.151 4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 127 2.201 -18.955 5.157 1.00 0.00 H new ATOM 1901 N SER A 128 4.627 -19.256 0.343 1.00 0.00 N ATOM 1902 CA SER A 128 4.775 -19.917 -0.948 1.00 0.00 C ATOM 1903 C SER A 128 6.225 -20.329 -1.185 1.00 0.00 C ATOM 1904 O SER A 128 6.998 -19.595 -1.801 1.00 0.00 O ATOM 1905 CB SER A 128 4.305 -18.994 -2.074 1.00 0.00 C ATOM 1906 OG SER A 128 2.893 -18.877 -2.081 1.00 0.00 O ATOM 0 H SER A 128 4.854 -18.261 0.336 1.00 0.00 H new ATOM 0 HA SER A 128 4.157 -20.815 -0.941 1.00 0.00 H new ATOM 0 HB2 SER A 128 4.754 -18.008 -1.952 1.00 0.00 H new ATOM 0 HB3 SER A 128 4.646 -19.383 -3.034 1.00 0.00 H new ATOM 0 HG SER A 128 2.618 -18.281 -2.808 1.00 0.00 H new ATOM 1912 N SER A 129 6.587 -21.509 -0.690 1.00 0.00 N ATOM 1913 CA SER A 129 7.944 -22.018 -0.844 1.00 0.00 C ATOM 1914 C SER A 129 7.930 -23.471 -1.309 1.00 0.00 C ATOM 1915 O SER A 129 6.886 -24.122 -1.316 1.00 0.00 O ATOM 1916 CB SER A 129 8.708 -21.902 0.477 1.00 0.00 C ATOM 1917 OG SER A 129 8.250 -22.858 1.417 1.00 0.00 O ATOM 0 H SER A 129 5.959 -22.130 -0.179 1.00 0.00 H new ATOM 0 HA SER A 129 8.447 -21.417 -1.601 1.00 0.00 H new ATOM 0 HB2 SER A 129 9.774 -22.045 0.298 1.00 0.00 H new ATOM 0 HB3 SER A 129 8.585 -20.899 0.885 1.00 0.00 H new ATOM 0 HG SER A 129 8.755 -22.764 2.252 1.00 0.00 H new ATOM 1923 N GLY A 130 9.098 -23.973 -1.698 1.00 0.00 N ATOM 1924 CA GLY A 130 9.199 -25.345 -2.160 1.00 0.00 C ATOM 1925 C GLY A 130 10.357 -25.551 -3.117 1.00 0.00 C ATOM 1926 O GLY A 130 11.482 -25.133 -2.840 1.00 0.00 O ATOM 0 H GLY A 130 9.976 -23.454 -1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 130 9.319 -26.006 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.269 -25.628 -2.653 1.00 0.00 H new TER 1930 GLY A 130