USER MOD reduce.3.24.130724 H: found=0, std=0, add=998, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 998 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 GLN : amide:sc= 0.378 K(o=0.31,f=-0.59) USER MOD Set 1.2: A 56 THR OG1 : rot 157:sc= -0.0649 USER MOD Set 2.1: A 49 GLN : amide:sc= -0.658 X(o=-4.5,f=-4.3) USER MOD Set 2.2: A 97 GLN : amide:sc= -3.83! C(o=-4.5!,f=-6.6!) USER MOD Set 3.1: A 45 HIS : no HD1:sc= -5.66! C(o=-13!,f=-14!) USER MOD Set 3.2: A 124 HIS : no HE2:sc= -7.06! C(o=-13!,f=-17!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= -0.287 (180deg=-1.1!) USER MOD Single : A 4 SER OG : rot 13:sc= 1.14 USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.407 F(o=-1.3,f=-0.41) USER MOD Single : A 6 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.39) USER MOD Single : A 7 HIS : no HD1:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 8 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.5) USER MOD Single : A 9 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.076) USER MOD Single : A 10 HIS : no HD1:sc= -0.93 X(o=-0.93,f=-1.2) USER MOD Single : A 11 THR OG1 : rot 180:sc=0.000758 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -62:sc= 1.12 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 45:sc= 0.271 USER MOD Single : A 43 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 52 ASN : amide:sc= -0.0258 X(o=-0.026,f=-0.083) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 68:sc= 0.318 USER MOD Single : A 59 THR OG1 : rot 47:sc= 1.07 USER MOD Single : A 61 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.4) USER MOD Single : A 67 TYR OH : rot -128:sc= 1.33 USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= -0.0934 (180deg=-0.684) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 135:sc= 0.68 (180deg=-2.75!) USER MOD Single : A 82 CYS SG : rot -154:sc= -1.41 USER MOD Single : A 83 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.029) USER MOD Single : A 85 THR OG1 : rot -44:sc= 0.0797 USER MOD Single : A 89 HIS : no HD1:sc= -2.82 K(o=-2.8,f=-5.1!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0286 X(o=-0.029,f=0) USER MOD Single : A 102 GLN :FLIP amide:sc= -2.82 F(o=-7!,f=-2.8) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 107 CYS SG : rot -170:sc= -4.98! USER MOD Single : A 108 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -2.35 F(o=-5.4,f=-2.3) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.003 -44.564 -21.127 1.00 0.00 N ATOM 2 CA MET A 1 4.019 -44.825 -22.211 1.00 0.00 C ATOM 3 C MET A 1 3.323 -43.538 -22.644 1.00 0.00 C ATOM 4 O MET A 1 2.164 -43.302 -22.304 1.00 0.00 O ATOM 5 CB MET A 1 2.989 -45.838 -21.706 1.00 0.00 C ATOM 6 CG MET A 1 2.264 -45.393 -20.446 1.00 0.00 C ATOM 7 SD MET A 1 1.941 -46.756 -19.311 1.00 0.00 S ATOM 8 CE MET A 1 3.545 -46.941 -18.538 1.00 0.00 C ATOM 0 H1 MET A 1 5.056 -45.392 -20.500 1.00 0.00 H new ATOM 0 H2 MET A 1 5.939 -44.384 -21.544 1.00 0.00 H new ATOM 0 H3 MET A 1 4.703 -43.733 -20.578 1.00 0.00 H new ATOM 0 HA MET A 1 4.543 -45.225 -23.079 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.256 -46.020 -22.492 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.490 -46.786 -21.511 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.860 -44.635 -19.937 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.320 -44.924 -20.722 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.506 -47.749 -17.808 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.290 -47.175 -19.298 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.817 -46.012 -18.037 1.00 0.00 H new ATOM 20 N ARG A 2 4.039 -42.710 -23.398 1.00 0.00 N ATOM 21 CA ARG A 2 3.491 -41.447 -23.879 1.00 0.00 C ATOM 22 C ARG A 2 3.104 -41.546 -25.351 1.00 0.00 C ATOM 23 O ARG A 2 3.889 -42.006 -26.180 1.00 0.00 O ATOM 24 CB ARG A 2 4.507 -40.318 -23.676 1.00 0.00 C ATOM 25 CG ARG A 2 4.040 -39.251 -22.698 1.00 0.00 C ATOM 26 CD ARG A 2 3.687 -37.956 -23.410 1.00 0.00 C ATOM 27 NE ARG A 2 3.156 -36.953 -22.490 1.00 0.00 N ATOM 28 CZ ARG A 2 1.900 -36.942 -22.048 1.00 0.00 C ATOM 29 NH1 ARG A 2 1.044 -37.880 -22.438 1.00 0.00 N ATOM 30 NH2 ARG A 2 1.499 -35.993 -21.213 1.00 0.00 N ATOM 0 H ARG A 2 5.000 -42.891 -23.689 1.00 0.00 H new ATOM 0 HA ARG A 2 2.592 -41.225 -23.303 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.444 -40.743 -23.317 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.717 -39.851 -24.638 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.171 -39.614 -22.150 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.823 -39.062 -21.964 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.574 -37.561 -23.905 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.952 -38.159 -24.189 1.00 0.00 H new ATOM 0 HE ARG A 2 3.785 -36.218 -22.167 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.348 -38.613 -23.079 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.083 -37.867 -22.097 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.153 -35.271 -20.909 1.00 0.00 H new ATOM 0 HH22 ARG A 2 0.537 -35.985 -20.875 1.00 0.00 H new ATOM 44 N GLY A 3 1.889 -41.113 -25.669 1.00 0.00 N ATOM 45 CA GLY A 3 1.418 -41.162 -27.041 1.00 0.00 C ATOM 46 C GLY A 3 1.472 -39.807 -27.720 1.00 0.00 C ATOM 47 O GLY A 3 1.809 -39.709 -28.900 1.00 0.00 O ATOM 0 H GLY A 3 1.221 -40.729 -25.001 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.023 -41.872 -27.605 1.00 0.00 H new ATOM 0 HA3 GLY A 3 0.393 -41.533 -27.057 1.00 0.00 H new ATOM 51 N SER A 4 1.137 -38.760 -26.973 1.00 0.00 N ATOM 52 CA SER A 4 1.148 -37.404 -27.508 1.00 0.00 C ATOM 53 C SER A 4 2.317 -36.605 -26.940 1.00 0.00 C ATOM 54 O SER A 4 2.326 -36.253 -25.760 1.00 0.00 O ATOM 55 CB SER A 4 -0.170 -36.697 -27.188 1.00 0.00 C ATOM 56 OG SER A 4 -0.272 -36.408 -25.805 1.00 0.00 O ATOM 0 H SER A 4 0.855 -38.825 -25.995 1.00 0.00 H new ATOM 0 HA SER A 4 1.266 -37.468 -28.590 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.239 -35.773 -27.762 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.007 -37.325 -27.494 1.00 0.00 H new ATOM 0 HG SER A 4 0.602 -36.531 -25.380 1.00 0.00 H new ATOM 62 N HIS A 5 3.303 -36.324 -27.786 1.00 0.00 N ATOM 63 CA HIS A 5 4.478 -35.568 -27.366 1.00 0.00 C ATOM 64 C HIS A 5 5.004 -34.700 -28.505 1.00 0.00 C ATOM 65 O HIS A 5 6.214 -34.528 -28.657 1.00 0.00 O ATOM 66 CB HIS A 5 5.575 -36.518 -26.883 1.00 0.00 C ATOM 67 CG HIS A 5 5.801 -37.682 -27.795 1.00 0.00 C ATOM 68 ND1 HIS A 5 4.945 -38.621 -28.264 1.00 0.00 N flip ATOM 69 CD2 HIS A 5 7.034 -37.987 -28.337 1.00 0.00 C flip ATOM 70 CE1 HIS A 5 5.669 -39.466 -29.070 1.00 0.00 C flip ATOM 71 NE2 HIS A 5 6.925 -39.061 -29.098 1.00 0.00 N flip ATOM 0 H HIS A 5 3.312 -36.608 -28.766 1.00 0.00 H new ATOM 0 HA HIS A 5 4.184 -34.915 -26.544 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.507 -35.962 -26.779 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.313 -36.889 -25.892 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.945 -37.434 -28.165 1.00 0.00 H new ATOM 0 HE1 HIS A 5 5.274 -40.323 -29.596 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.683 -39.502 -29.619 1.00 0.00 H new ATOM 80 N HIS A 6 4.091 -34.155 -29.301 1.00 0.00 N ATOM 81 CA HIS A 6 4.467 -33.304 -30.423 1.00 0.00 C ATOM 82 C HIS A 6 4.622 -31.853 -29.978 1.00 0.00 C ATOM 83 O HIS A 6 5.529 -31.150 -30.423 1.00 0.00 O ATOM 84 CB HIS A 6 3.422 -33.399 -31.537 1.00 0.00 C ATOM 85 CG HIS A 6 3.926 -32.938 -32.869 1.00 0.00 C ATOM 86 ND1 HIS A 6 5.247 -33.047 -33.253 1.00 0.00 N ATOM 87 CD2 HIS A 6 3.279 -32.365 -33.912 1.00 0.00 C ATOM 88 CE1 HIS A 6 5.390 -32.560 -34.473 1.00 0.00 C ATOM 89 NE2 HIS A 6 4.212 -32.140 -34.895 1.00 0.00 N ATOM 0 H HIS A 6 3.086 -34.287 -29.190 1.00 0.00 H new ATOM 0 HA HIS A 6 5.427 -33.653 -30.804 1.00 0.00 H new ATOM 0 HB2 HIS A 6 3.086 -34.432 -31.622 1.00 0.00 H new ATOM 0 HB3 HIS A 6 2.552 -32.803 -31.260 1.00 0.00 H new ATOM 0 HD2 HIS A 6 2.226 -32.129 -33.962 1.00 0.00 H new ATOM 0 HE1 HIS A 6 6.314 -32.514 -35.030 1.00 0.00 H new ATOM 0 HE2 HIS A 6 4.025 -31.717 -35.804 1.00 0.00 H new ATOM 98 N HIS A 7 3.732 -31.412 -29.094 1.00 0.00 N ATOM 99 CA HIS A 7 3.771 -30.046 -28.587 1.00 0.00 C ATOM 100 C HIS A 7 3.838 -30.036 -27.063 1.00 0.00 C ATOM 101 O HIS A 7 2.885 -30.423 -26.387 1.00 0.00 O ATOM 102 CB HIS A 7 2.543 -29.268 -29.061 1.00 0.00 C ATOM 103 CG HIS A 7 2.592 -28.898 -30.510 1.00 0.00 C ATOM 104 ND1 HIS A 7 2.550 -29.829 -31.527 1.00 0.00 N ATOM 105 CD2 HIS A 7 2.681 -27.689 -31.114 1.00 0.00 C ATOM 106 CE1 HIS A 7 2.612 -29.209 -32.693 1.00 0.00 C ATOM 107 NE2 HIS A 7 2.691 -27.911 -32.470 1.00 0.00 N ATOM 0 H HIS A 7 2.975 -31.981 -28.715 1.00 0.00 H new ATOM 0 HA HIS A 7 4.668 -29.565 -28.976 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.651 -29.866 -28.877 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.446 -28.360 -28.466 1.00 0.00 H new ATOM 0 HD2 HIS A 7 2.734 -26.729 -30.622 1.00 0.00 H new ATOM 0 HE1 HIS A 7 2.600 -29.684 -33.663 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.750 -27.189 -33.188 1.00 0.00 H new ATOM 116 N HIS A 8 4.973 -29.593 -26.529 1.00 0.00 N ATOM 117 CA HIS A 8 5.165 -29.534 -25.084 1.00 0.00 C ATOM 118 C HIS A 8 4.495 -28.298 -24.493 1.00 0.00 C ATOM 119 O HIS A 8 3.957 -28.342 -23.386 1.00 0.00 O ATOM 120 CB HIS A 8 6.658 -29.530 -24.749 1.00 0.00 C ATOM 121 CG HIS A 8 7.016 -30.421 -23.601 1.00 0.00 C ATOM 122 ND1 HIS A 8 6.092 -30.874 -22.681 1.00 0.00 N ATOM 123 CD2 HIS A 8 8.206 -30.946 -23.224 1.00 0.00 C ATOM 124 CE1 HIS A 8 6.699 -31.636 -21.790 1.00 0.00 C ATOM 125 NE2 HIS A 8 7.982 -31.697 -22.096 1.00 0.00 N ATOM 0 H HIS A 8 5.772 -29.270 -27.075 1.00 0.00 H new ATOM 0 HA HIS A 8 4.702 -30.418 -24.645 1.00 0.00 H new ATOM 0 HB2 HIS A 8 7.220 -29.842 -25.629 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.967 -28.511 -24.517 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.155 -30.801 -23.719 1.00 0.00 H new ATOM 0 HE1 HIS A 8 6.226 -32.127 -20.952 1.00 0.00 H new ATOM 0 HE2 HIS A 8 8.691 -32.217 -21.579 1.00 0.00 H new ATOM 134 N HIS A 9 4.531 -27.197 -25.236 1.00 0.00 N ATOM 135 CA HIS A 9 3.928 -25.950 -24.782 1.00 0.00 C ATOM 136 C HIS A 9 2.444 -25.900 -25.136 1.00 0.00 C ATOM 137 O HIS A 9 2.073 -25.521 -26.247 1.00 0.00 O ATOM 138 CB HIS A 9 4.654 -24.752 -25.401 1.00 0.00 C ATOM 139 CG HIS A 9 5.049 -23.710 -24.399 1.00 0.00 C ATOM 140 ND1 HIS A 9 6.074 -22.814 -24.611 1.00 0.00 N ATOM 141 CD2 HIS A 9 4.548 -23.424 -23.174 1.00 0.00 C ATOM 142 CE1 HIS A 9 6.188 -22.022 -23.559 1.00 0.00 C ATOM 143 NE2 HIS A 9 5.273 -22.372 -22.674 1.00 0.00 N ATOM 0 H HIS A 9 4.971 -27.143 -26.155 1.00 0.00 H new ATOM 0 HA HIS A 9 4.025 -25.904 -23.697 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.547 -25.105 -25.917 1.00 0.00 H new ATOM 0 HB3 HIS A 9 4.010 -24.296 -26.153 1.00 0.00 H new ATOM 0 HD2 HIS A 9 3.730 -23.930 -22.682 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.907 -21.225 -23.443 1.00 0.00 H new ATOM 0 HE2 HIS A 9 5.128 -21.932 -21.765 1.00 0.00 H new ATOM 152 N HIS A 10 1.601 -26.285 -24.183 1.00 0.00 N ATOM 153 CA HIS A 10 0.157 -26.285 -24.392 1.00 0.00 C ATOM 154 C HIS A 10 -0.235 -27.261 -25.498 1.00 0.00 C ATOM 155 O HIS A 10 0.275 -27.186 -26.615 1.00 0.00 O ATOM 156 CB HIS A 10 -0.330 -24.877 -24.741 1.00 0.00 C ATOM 157 CG HIS A 10 -1.638 -24.522 -24.104 1.00 0.00 C ATOM 158 ND1 HIS A 10 -2.470 -23.536 -24.592 1.00 0.00 N ATOM 159 CD2 HIS A 10 -2.260 -25.028 -23.012 1.00 0.00 C ATOM 160 CE1 HIS A 10 -3.544 -23.450 -23.828 1.00 0.00 C ATOM 161 NE2 HIS A 10 -3.441 -24.345 -22.863 1.00 0.00 N ATOM 0 H HIS A 10 1.893 -26.601 -23.258 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.318 -26.606 -23.465 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.424 -24.153 -24.431 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.427 -24.793 -25.823 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.894 -25.821 -22.377 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.366 -22.764 -23.969 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.128 -24.503 -22.126 1.00 0.00 H new ATOM 170 N THR A 11 -1.145 -28.175 -25.178 1.00 0.00 N ATOM 171 CA THR A 11 -1.606 -29.166 -26.145 1.00 0.00 C ATOM 172 C THR A 11 -3.071 -28.935 -26.502 1.00 0.00 C ATOM 173 O THR A 11 -3.971 -29.456 -25.843 1.00 0.00 O ATOM 174 CB THR A 11 -1.417 -30.580 -25.590 1.00 0.00 C ATOM 175 OG1 THR A 11 -1.172 -30.544 -24.195 1.00 0.00 O ATOM 176 CG2 THR A 11 -0.271 -31.328 -26.236 1.00 0.00 C ATOM 0 H THR A 11 -1.578 -28.251 -24.257 1.00 0.00 H new ATOM 0 HA THR A 11 -1.009 -29.059 -27.051 1.00 0.00 H new ATOM 0 HB THR A 11 -2.346 -31.104 -25.815 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.056 -31.457 -23.860 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.192 -32.323 -25.797 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.453 -31.417 -27.307 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.659 -30.783 -26.070 1.00 0.00 H new ATOM 184 N ASP A 12 -3.304 -28.150 -27.549 1.00 0.00 N ATOM 185 CA ASP A 12 -4.660 -27.850 -27.993 1.00 0.00 C ATOM 186 C ASP A 12 -4.699 -27.597 -29.500 1.00 0.00 C ATOM 187 O ASP A 12 -5.015 -26.493 -29.945 1.00 0.00 O ATOM 188 CB ASP A 12 -5.208 -26.634 -27.242 1.00 0.00 C ATOM 189 CG ASP A 12 -4.251 -25.459 -27.270 1.00 0.00 C ATOM 190 OD1 ASP A 12 -3.410 -25.399 -28.192 1.00 0.00 O ATOM 191 OD2 ASP A 12 -4.342 -24.598 -26.369 1.00 0.00 O ATOM 0 H ASP A 12 -2.571 -27.710 -28.106 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.287 -28.715 -27.774 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.159 -26.336 -27.684 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.410 -26.910 -26.207 1.00 0.00 H new ATOM 196 N PRO A 13 -4.378 -28.622 -30.307 1.00 0.00 N ATOM 197 CA PRO A 13 -4.377 -28.507 -31.771 1.00 0.00 C ATOM 198 C PRO A 13 -5.723 -28.037 -32.318 1.00 0.00 C ATOM 199 O PRO A 13 -5.804 -27.526 -33.434 1.00 0.00 O ATOM 200 CB PRO A 13 -4.078 -29.932 -32.247 1.00 0.00 C ATOM 201 CG PRO A 13 -3.395 -30.586 -31.096 1.00 0.00 C ATOM 202 CD PRO A 13 -3.990 -29.972 -29.860 1.00 0.00 C ATOM 0 HA PRO A 13 -3.653 -27.769 -32.117 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.994 -30.459 -32.514 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.443 -29.927 -33.133 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.552 -31.665 -31.110 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.318 -30.420 -31.135 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.849 -30.540 -29.502 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.270 -29.934 -29.043 1.00 0.00 H new ATOM 210 N MET A 14 -6.777 -28.213 -31.525 1.00 0.00 N ATOM 211 CA MET A 14 -8.115 -27.805 -31.935 1.00 0.00 C ATOM 212 C MET A 14 -8.461 -26.428 -31.377 1.00 0.00 C ATOM 213 O MET A 14 -9.623 -26.134 -31.096 1.00 0.00 O ATOM 214 CB MET A 14 -9.149 -28.833 -31.472 1.00 0.00 C ATOM 215 CG MET A 14 -9.055 -30.161 -32.204 1.00 0.00 C ATOM 216 SD MET A 14 -10.659 -30.964 -32.394 1.00 0.00 S ATOM 217 CE MET A 14 -10.168 -32.538 -33.095 1.00 0.00 C ATOM 0 H MET A 14 -6.729 -28.634 -30.597 1.00 0.00 H new ATOM 0 HA MET A 14 -8.132 -27.749 -33.023 1.00 0.00 H new ATOM 0 HB2 MET A 14 -9.023 -29.007 -30.403 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.148 -28.420 -31.612 1.00 0.00 H new ATOM 0 HG2 MET A 14 -8.615 -29.999 -33.188 1.00 0.00 H new ATOM 0 HG3 MET A 14 -8.383 -30.825 -31.660 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.053 -33.150 -33.270 1.00 0.00 H new ATOM 0 HE2 MET A 14 -9.650 -32.370 -34.039 1.00 0.00 H new ATOM 0 HE3 MET A 14 -9.502 -33.053 -32.402 1.00 0.00 H new ATOM 227 N SER A 15 -7.445 -25.586 -31.222 1.00 0.00 N ATOM 228 CA SER A 15 -7.639 -24.238 -30.701 1.00 0.00 C ATOM 229 C SER A 15 -7.425 -23.203 -31.801 1.00 0.00 C ATOM 230 O SER A 15 -6.954 -22.096 -31.544 1.00 0.00 O ATOM 231 CB SER A 15 -6.677 -23.972 -29.541 1.00 0.00 C ATOM 232 OG SER A 15 -6.797 -22.638 -29.075 1.00 0.00 O ATOM 0 H SER A 15 -6.477 -25.814 -31.450 1.00 0.00 H new ATOM 0 HA SER A 15 -8.663 -24.156 -30.337 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.884 -24.665 -28.726 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.653 -24.157 -29.864 1.00 0.00 H new ATOM 0 HG SER A 15 -6.557 -22.017 -29.794 1.00 0.00 H new ATOM 238 N ALA A 16 -7.771 -23.576 -33.028 1.00 0.00 N ATOM 239 CA ALA A 16 -7.615 -22.688 -34.171 1.00 0.00 C ATOM 240 C ALA A 16 -8.474 -23.148 -35.344 1.00 0.00 C ATOM 241 O ALA A 16 -8.114 -22.955 -36.505 1.00 0.00 O ATOM 242 CB ALA A 16 -6.151 -22.616 -34.580 1.00 0.00 C ATOM 0 H ALA A 16 -8.162 -24.490 -33.256 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.951 -21.693 -33.880 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.045 -21.949 -35.436 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.559 -22.235 -33.748 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.799 -23.612 -34.850 1.00 0.00 H new ATOM 248 N ILE A 17 -9.611 -23.762 -35.032 1.00 0.00 N ATOM 249 CA ILE A 17 -10.523 -24.257 -36.057 1.00 0.00 C ATOM 250 C ILE A 17 -11.690 -23.299 -36.269 1.00 0.00 C ATOM 251 O ILE A 17 -11.997 -22.477 -35.405 1.00 0.00 O ATOM 252 CB ILE A 17 -11.079 -25.647 -35.691 1.00 0.00 C ATOM 253 CG1 ILE A 17 -9.950 -26.567 -35.223 1.00 0.00 C ATOM 254 CG2 ILE A 17 -11.809 -26.256 -36.879 1.00 0.00 C ATOM 255 CD1 ILE A 17 -10.430 -27.927 -34.768 1.00 0.00 C ATOM 0 H ILE A 17 -9.923 -23.929 -34.075 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.947 -24.333 -36.979 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.790 -25.532 -34.873 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.236 -26.696 -36.037 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -9.416 -26.086 -34.404 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.196 -27.237 -36.604 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.636 -25.608 -37.169 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.119 -26.359 -37.716 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.577 -28.526 -34.450 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.121 -27.808 -33.934 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.938 -28.428 -35.592 1.00 0.00 H new ATOM 267 N GLN A 18 -12.339 -23.413 -37.425 1.00 0.00 N ATOM 268 CA GLN A 18 -13.475 -22.560 -37.753 1.00 0.00 C ATOM 269 C GLN A 18 -14.687 -22.919 -36.898 1.00 0.00 C ATOM 270 O GLN A 18 -15.402 -23.878 -37.188 1.00 0.00 O ATOM 271 CB GLN A 18 -13.826 -22.692 -39.236 1.00 0.00 C ATOM 272 CG GLN A 18 -14.676 -21.548 -39.765 1.00 0.00 C ATOM 273 CD GLN A 18 -15.428 -21.917 -41.029 1.00 0.00 C ATOM 274 OE1 GLN A 18 -15.095 -22.893 -41.701 1.00 0.00 O ATOM 275 NE2 GLN A 18 -16.449 -21.135 -41.360 1.00 0.00 N ATOM 0 H GLN A 18 -12.096 -24.089 -38.150 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.196 -21.527 -37.543 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.904 -22.747 -39.815 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.357 -23.631 -39.393 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.389 -21.245 -38.998 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.037 -20.688 -39.965 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.690 -20.336 -40.774 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.992 -21.333 -42.200 1.00 0.00 H new ATOM 284 N ASN A 19 -14.910 -22.144 -35.842 1.00 0.00 N ATOM 285 CA ASN A 19 -16.033 -22.380 -34.943 1.00 0.00 C ATOM 286 C ASN A 19 -17.092 -21.292 -35.098 1.00 0.00 C ATOM 287 O ASN A 19 -17.002 -20.232 -34.479 1.00 0.00 O ATOM 288 CB ASN A 19 -15.550 -22.434 -33.493 1.00 0.00 C ATOM 289 CG ASN A 19 -14.894 -23.758 -33.151 1.00 0.00 C ATOM 290 OD1 ASN A 19 -15.564 -24.784 -33.037 1.00 0.00 O ATOM 291 ND2 ASN A 19 -13.577 -23.740 -32.985 1.00 0.00 N ATOM 0 H ASN A 19 -14.327 -21.346 -35.588 1.00 0.00 H new ATOM 0 HA ASN A 19 -16.481 -23.338 -35.205 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.841 -21.625 -33.319 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -16.395 -22.267 -32.825 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -13.080 -24.600 -32.753 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.062 -22.866 -33.089 1.00 0.00 H new ATOM 298 N LEU A 20 -18.096 -21.566 -35.927 1.00 0.00 N ATOM 299 CA LEU A 20 -19.177 -20.613 -36.167 1.00 0.00 C ATOM 300 C LEU A 20 -18.671 -19.394 -36.931 1.00 0.00 C ATOM 301 O LEU A 20 -19.009 -19.197 -38.098 1.00 0.00 O ATOM 302 CB LEU A 20 -19.812 -20.178 -34.843 1.00 0.00 C ATOM 303 CG LEU A 20 -21.331 -20.001 -34.880 1.00 0.00 C ATOM 304 CD1 LEU A 20 -22.029 -21.341 -34.705 1.00 0.00 C ATOM 305 CD2 LEU A 20 -21.779 -19.021 -33.807 1.00 0.00 C ATOM 0 H LEU A 20 -18.184 -22.441 -36.444 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.934 -21.109 -36.775 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -19.566 -20.916 -34.080 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -19.359 -19.236 -34.533 1.00 0.00 H new ATOM 0 HG LEU A 20 -21.607 -19.595 -35.853 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -23.109 -21.195 -34.734 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -21.732 -22.014 -35.509 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -21.747 -21.776 -33.746 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -22.862 -18.907 -33.848 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -21.490 -19.399 -32.826 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -21.306 -18.054 -33.977 1.00 0.00 H new ATOM 317 N HIS A 21 -17.859 -18.578 -36.267 1.00 0.00 N ATOM 318 CA HIS A 21 -17.307 -17.379 -36.886 1.00 0.00 C ATOM 319 C HIS A 21 -15.992 -17.690 -37.594 1.00 0.00 C ATOM 320 O HIS A 21 -15.139 -18.397 -37.057 1.00 0.00 O ATOM 321 CB HIS A 21 -17.092 -16.288 -35.835 1.00 0.00 C ATOM 322 CG HIS A 21 -17.623 -14.949 -36.245 1.00 0.00 C ATOM 323 ND1 HIS A 21 -16.848 -13.987 -36.859 1.00 0.00 N ATOM 324 CD2 HIS A 21 -18.861 -14.412 -36.128 1.00 0.00 C ATOM 325 CE1 HIS A 21 -17.585 -12.917 -37.099 1.00 0.00 C ATOM 326 NE2 HIS A 21 -18.810 -13.150 -36.665 1.00 0.00 N ATOM 0 H HIS A 21 -17.569 -18.725 -35.300 1.00 0.00 H new ATOM 0 HA HIS A 21 -18.021 -17.020 -37.627 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -17.573 -16.591 -34.905 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -16.025 -16.199 -35.628 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -19.727 -14.888 -35.693 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -17.244 -12.007 -37.570 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -19.592 -12.498 -36.720 1.00 0.00 H new ATOM 335 N SER A 22 -15.837 -17.161 -38.803 1.00 0.00 N ATOM 336 CA SER A 22 -14.626 -17.385 -39.585 1.00 0.00 C ATOM 337 C SER A 22 -13.569 -16.330 -39.273 1.00 0.00 C ATOM 338 O SER A 22 -12.372 -16.577 -39.421 1.00 0.00 O ATOM 339 CB SER A 22 -14.950 -17.373 -41.080 1.00 0.00 C ATOM 340 OG SER A 22 -14.176 -18.332 -41.778 1.00 0.00 O ATOM 0 H SER A 22 -16.534 -16.575 -39.263 1.00 0.00 H new ATOM 0 HA SER A 22 -14.226 -18.362 -39.314 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.010 -17.580 -41.227 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.759 -16.381 -41.488 1.00 0.00 H new ATOM 0 HG SER A 22 -14.403 -18.305 -42.731 1.00 0.00 H new ATOM 346 N PHE A 23 -14.017 -15.155 -38.842 1.00 0.00 N ATOM 347 CA PHE A 23 -13.106 -14.064 -38.511 1.00 0.00 C ATOM 348 C PHE A 23 -12.351 -13.592 -39.750 1.00 0.00 C ATOM 349 O PHE A 23 -11.683 -14.381 -40.419 1.00 0.00 O ATOM 350 CB PHE A 23 -12.118 -14.503 -37.429 1.00 0.00 C ATOM 351 CG PHE A 23 -12.036 -13.552 -36.269 1.00 0.00 C ATOM 352 CD1 PHE A 23 -11.936 -12.187 -36.483 1.00 0.00 C ATOM 353 CD2 PHE A 23 -12.058 -14.024 -34.966 1.00 0.00 C ATOM 354 CE1 PHE A 23 -11.859 -11.308 -35.417 1.00 0.00 C ATOM 355 CE2 PHE A 23 -11.982 -13.151 -33.897 1.00 0.00 C ATOM 356 CZ PHE A 23 -11.883 -11.791 -34.123 1.00 0.00 C ATOM 0 H PHE A 23 -15.004 -14.934 -38.714 1.00 0.00 H new ATOM 0 HA PHE A 23 -13.699 -13.232 -38.131 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -12.408 -15.487 -37.061 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.128 -14.608 -37.873 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.918 -11.805 -37.493 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -12.135 -15.086 -34.784 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -11.780 -10.246 -35.596 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.000 -13.531 -32.886 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.825 -11.107 -33.289 1.00 0.00 H new ATOM 366 N ASP A 24 -12.460 -12.302 -40.050 1.00 0.00 N ATOM 367 CA ASP A 24 -11.787 -11.727 -41.209 1.00 0.00 C ATOM 368 C ASP A 24 -12.264 -12.390 -42.500 1.00 0.00 C ATOM 369 O ASP A 24 -11.741 -13.430 -42.901 1.00 0.00 O ATOM 370 CB ASP A 24 -10.272 -11.883 -41.073 1.00 0.00 C ATOM 371 CG ASP A 24 -9.664 -10.851 -40.144 1.00 0.00 C ATOM 372 OD1 ASP A 24 -10.275 -9.776 -39.970 1.00 0.00 O ATOM 373 OD2 ASP A 24 -8.577 -11.119 -39.589 1.00 0.00 O ATOM 0 H ASP A 24 -13.008 -11.635 -39.507 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.034 -10.666 -41.253 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.045 -12.882 -40.700 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.811 -11.798 -42.057 1.00 0.00 H new ATOM 378 N PRO A 25 -13.266 -11.797 -43.171 1.00 0.00 N ATOM 379 CA PRO A 25 -13.807 -12.340 -44.421 1.00 0.00 C ATOM 380 C PRO A 25 -12.717 -12.592 -45.458 1.00 0.00 C ATOM 381 O PRO A 25 -12.827 -13.500 -46.282 1.00 0.00 O ATOM 382 CB PRO A 25 -14.764 -11.249 -44.907 1.00 0.00 C ATOM 383 CG PRO A 25 -15.144 -10.498 -43.678 1.00 0.00 C ATOM 384 CD PRO A 25 -13.949 -10.553 -42.768 1.00 0.00 C ATOM 0 HA PRO A 25 -14.289 -13.306 -44.269 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.282 -10.597 -45.636 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.639 -11.679 -45.394 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -15.405 -9.467 -43.917 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.017 -10.945 -43.202 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.306 -9.682 -42.897 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.244 -10.579 -41.719 1.00 0.00 H new ATOM 392 N PHE A 26 -11.663 -11.782 -45.409 1.00 0.00 N ATOM 393 CA PHE A 26 -10.550 -11.917 -46.343 1.00 0.00 C ATOM 394 C PHE A 26 -9.227 -12.035 -45.594 1.00 0.00 C ATOM 395 O PHE A 26 -8.410 -12.906 -45.892 1.00 0.00 O ATOM 396 CB PHE A 26 -10.507 -10.720 -47.294 1.00 0.00 C ATOM 397 CG PHE A 26 -10.629 -9.393 -46.600 1.00 0.00 C ATOM 398 CD1 PHE A 26 -11.856 -8.951 -46.134 1.00 0.00 C ATOM 399 CD2 PHE A 26 -9.515 -8.590 -46.412 1.00 0.00 C ATOM 400 CE1 PHE A 26 -11.971 -7.732 -45.493 1.00 0.00 C ATOM 401 CE2 PHE A 26 -9.624 -7.370 -45.773 1.00 0.00 C ATOM 402 CZ PHE A 26 -10.854 -6.940 -45.313 1.00 0.00 C ATOM 0 H PHE A 26 -11.557 -11.026 -44.733 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.702 -12.827 -46.924 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.571 -10.744 -47.852 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -11.314 -10.815 -48.021 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -12.733 -9.566 -46.273 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.551 -8.922 -46.769 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.933 -7.399 -45.133 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.749 -6.753 -45.633 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.942 -5.986 -44.814 1.00 0.00 H new ATOM 412 N ALA A 27 -9.024 -11.153 -44.620 1.00 0.00 N ATOM 413 CA ALA A 27 -7.800 -11.158 -43.826 1.00 0.00 C ATOM 414 C ALA A 27 -6.576 -10.912 -44.700 1.00 0.00 C ATOM 415 O ALA A 27 -6.248 -11.719 -45.570 1.00 0.00 O ATOM 416 CB ALA A 27 -7.663 -12.476 -43.078 1.00 0.00 C ATOM 0 H ALA A 27 -9.691 -10.426 -44.362 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.863 -10.346 -43.101 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.746 -12.467 -42.489 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.518 -12.609 -42.415 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.627 -13.298 -43.793 1.00 0.00 H new ATOM 422 N ASP A 28 -5.902 -9.791 -44.463 1.00 0.00 N ATOM 423 CA ASP A 28 -4.712 -9.439 -45.228 1.00 0.00 C ATOM 424 C ASP A 28 -3.445 -9.768 -44.445 1.00 0.00 C ATOM 425 O ASP A 28 -3.509 -10.295 -43.335 1.00 0.00 O ATOM 426 CB ASP A 28 -4.732 -7.951 -45.584 1.00 0.00 C ATOM 427 CG ASP A 28 -4.862 -7.066 -44.360 1.00 0.00 C ATOM 428 OD1 ASP A 28 -4.559 -7.543 -43.247 1.00 0.00 O ATOM 429 OD2 ASP A 28 -5.265 -5.894 -44.516 1.00 0.00 O ATOM 0 H ASP A 28 -6.160 -9.111 -43.747 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.713 -10.026 -46.146 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.817 -7.696 -46.118 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.562 -7.753 -46.262 1.00 0.00 H new ATOM 434 N ALA A 29 -2.294 -9.454 -45.032 1.00 0.00 N ATOM 435 CA ALA A 29 -1.013 -9.717 -44.388 1.00 0.00 C ATOM 436 C ALA A 29 0.122 -9.005 -45.117 1.00 0.00 C ATOM 437 O ALA A 29 0.620 -9.490 -46.133 1.00 0.00 O ATOM 438 CB ALA A 29 -0.749 -11.215 -44.330 1.00 0.00 C ATOM 0 H ALA A 29 -2.223 -9.018 -45.951 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.058 -9.328 -43.371 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.211 -11.397 -43.847 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.540 -11.702 -43.760 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.728 -11.620 -45.342 1.00 0.00 H new ATOM 444 N SER A 30 0.526 -7.854 -44.589 1.00 0.00 N ATOM 445 CA SER A 30 1.604 -7.076 -45.189 1.00 0.00 C ATOM 446 C SER A 30 2.505 -6.475 -44.116 1.00 0.00 C ATOM 447 O SER A 30 3.721 -6.667 -44.132 1.00 0.00 O ATOM 448 CB SER A 30 1.030 -5.964 -46.070 1.00 0.00 C ATOM 449 OG SER A 30 -0.034 -5.293 -45.416 1.00 0.00 O ATOM 0 H SER A 30 0.124 -7.440 -43.748 1.00 0.00 H new ATOM 0 HA SER A 30 2.202 -7.747 -45.806 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.816 -5.251 -46.319 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.674 -6.387 -47.010 1.00 0.00 H new ATOM 0 HG SER A 30 -0.382 -4.586 -45.999 1.00 0.00 H new ATOM 455 N LYS A 31 1.900 -5.747 -43.183 1.00 0.00 N ATOM 456 CA LYS A 31 2.646 -5.118 -42.100 1.00 0.00 C ATOM 457 C LYS A 31 3.327 -6.168 -41.226 1.00 0.00 C ATOM 458 O LYS A 31 4.544 -6.146 -41.046 1.00 0.00 O ATOM 459 CB LYS A 31 1.716 -4.249 -41.250 1.00 0.00 C ATOM 460 CG LYS A 31 2.197 -2.817 -41.092 1.00 0.00 C ATOM 461 CD LYS A 31 1.627 -1.916 -42.176 1.00 0.00 C ATOM 462 CE LYS A 31 1.274 -0.542 -41.630 1.00 0.00 C ATOM 463 NZ LYS A 31 1.253 0.493 -42.699 1.00 0.00 N ATOM 0 H LYS A 31 0.894 -5.578 -43.156 1.00 0.00 H new ATOM 0 HA LYS A 31 3.417 -4.486 -42.541 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.724 -4.242 -41.703 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.613 -4.700 -40.263 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.904 -2.440 -40.112 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.286 -2.791 -41.131 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.352 -1.813 -42.983 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.737 -2.378 -42.604 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.298 -0.584 -41.146 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.997 -0.259 -40.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.008 1.415 -42.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.191 0.551 -43.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.545 0.237 -43.416 1.00 0.00 H new ATOM 477 N GLY A 32 2.532 -7.085 -40.687 1.00 0.00 N ATOM 478 CA GLY A 32 3.074 -8.130 -39.838 1.00 0.00 C ATOM 479 C GLY A 32 3.503 -7.613 -38.478 1.00 0.00 C ATOM 480 O GLY A 32 4.316 -8.239 -37.798 1.00 0.00 O ATOM 0 H GLY A 32 1.522 -7.124 -40.823 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.325 -8.911 -39.706 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.929 -8.589 -40.334 1.00 0.00 H new ATOM 484 N ASP A 33 2.954 -6.470 -38.079 1.00 0.00 N ATOM 485 CA ASP A 33 3.285 -5.872 -36.790 1.00 0.00 C ATOM 486 C ASP A 33 2.028 -5.658 -35.953 1.00 0.00 C ATOM 487 O ASP A 33 1.912 -4.670 -35.229 1.00 0.00 O ATOM 488 CB ASP A 33 4.010 -4.539 -36.994 1.00 0.00 C ATOM 489 CG ASP A 33 5.048 -4.277 -35.921 1.00 0.00 C ATOM 490 OD1 ASP A 33 4.831 -4.703 -34.767 1.00 0.00 O ATOM 491 OD2 ASP A 33 6.079 -3.645 -36.234 1.00 0.00 O ATOM 0 H ASP A 33 2.278 -5.940 -38.629 1.00 0.00 H new ATOM 0 HA ASP A 33 3.943 -6.557 -36.256 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.493 -4.537 -37.971 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.281 -3.729 -36.997 1.00 0.00 H new ATOM 496 N ASP A 34 1.088 -6.593 -36.059 1.00 0.00 N ATOM 497 CA ASP A 34 -0.161 -6.509 -35.312 1.00 0.00 C ATOM 498 C ASP A 34 0.003 -7.082 -33.908 1.00 0.00 C ATOM 499 O ASP A 34 -0.715 -8.001 -33.511 1.00 0.00 O ATOM 500 CB ASP A 34 -1.274 -7.252 -36.055 1.00 0.00 C ATOM 501 CG ASP A 34 -2.651 -6.912 -35.524 1.00 0.00 C ATOM 502 OD1 ASP A 34 -2.751 -6.508 -34.346 1.00 0.00 O ATOM 503 OD2 ASP A 34 -3.633 -7.048 -36.285 1.00 0.00 O ATOM 0 H ASP A 34 1.168 -7.417 -36.655 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.433 -5.457 -35.223 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.226 -7.006 -37.116 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.110 -8.326 -35.969 1.00 0.00 H new ATOM 508 N LEU A 35 0.954 -6.533 -33.159 1.00 0.00 N ATOM 509 CA LEU A 35 1.214 -6.989 -31.798 1.00 0.00 C ATOM 510 C LEU A 35 0.993 -5.859 -30.797 1.00 0.00 C ATOM 511 O LEU A 35 1.588 -4.787 -30.916 1.00 0.00 O ATOM 512 CB LEU A 35 2.643 -7.519 -31.679 1.00 0.00 C ATOM 513 CG LEU A 35 2.837 -8.966 -32.133 1.00 0.00 C ATOM 514 CD1 LEU A 35 2.102 -9.921 -31.204 1.00 0.00 C ATOM 515 CD2 LEU A 35 2.360 -9.143 -33.567 1.00 0.00 C ATOM 0 H LEU A 35 1.557 -5.772 -33.471 1.00 0.00 H new ATOM 0 HA LEU A 35 0.516 -7.795 -31.571 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.302 -6.879 -32.266 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.960 -7.435 -30.640 1.00 0.00 H new ATOM 0 HG LEU A 35 3.901 -9.199 -32.093 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.252 -10.946 -31.543 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.490 -9.814 -30.191 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.037 -9.688 -31.211 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.506 -10.179 -33.874 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.302 -8.891 -33.632 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.931 -8.487 -34.224 1.00 0.00 H new ATOM 527 N LEU A 36 0.133 -6.104 -29.814 1.00 0.00 N ATOM 528 CA LEU A 36 -0.166 -5.106 -28.795 1.00 0.00 C ATOM 529 C LEU A 36 0.402 -5.525 -27.438 1.00 0.00 C ATOM 530 O LEU A 36 0.152 -6.636 -26.972 1.00 0.00 O ATOM 531 CB LEU A 36 -1.677 -4.898 -28.685 1.00 0.00 C ATOM 532 CG LEU A 36 -2.306 -4.103 -29.831 1.00 0.00 C ATOM 533 CD1 LEU A 36 -3.799 -4.381 -29.916 1.00 0.00 C ATOM 534 CD2 LEU A 36 -2.048 -2.614 -29.649 1.00 0.00 C ATOM 0 H LEU A 36 -0.369 -6.985 -29.702 1.00 0.00 H new ATOM 0 HA LEU A 36 0.303 -4.168 -29.091 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.160 -5.874 -28.632 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.891 -4.385 -27.747 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.845 -4.420 -30.766 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.230 -3.807 -30.737 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.962 -5.444 -30.092 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.277 -4.091 -28.980 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.502 -2.063 -30.473 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.483 -2.282 -28.706 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.974 -2.430 -29.638 1.00 0.00 H new ATOM 546 N PRO A 37 1.175 -4.638 -26.784 1.00 0.00 N ATOM 547 CA PRO A 37 1.773 -4.930 -25.477 1.00 0.00 C ATOM 548 C PRO A 37 0.736 -4.942 -24.356 1.00 0.00 C ATOM 549 O PRO A 37 -0.467 -4.978 -24.613 1.00 0.00 O ATOM 550 CB PRO A 37 2.763 -3.781 -25.277 1.00 0.00 C ATOM 551 CG PRO A 37 2.204 -2.657 -26.076 1.00 0.00 C ATOM 552 CD PRO A 37 1.527 -3.287 -27.263 1.00 0.00 C ATOM 0 HA PRO A 37 2.234 -5.917 -25.449 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.851 -3.513 -24.224 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.761 -4.054 -25.621 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.496 -2.074 -25.487 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.992 -1.974 -26.393 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.643 -2.726 -27.565 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.189 -3.328 -28.128 1.00 0.00 H new ATOM 560 N ALA A 38 1.212 -4.914 -23.115 1.00 0.00 N ATOM 561 CA ALA A 38 0.327 -4.923 -21.955 1.00 0.00 C ATOM 562 C ALA A 38 -0.413 -6.251 -21.839 1.00 0.00 C ATOM 563 O ALA A 38 -1.331 -6.530 -22.611 1.00 0.00 O ATOM 564 CB ALA A 38 -0.662 -3.769 -22.032 1.00 0.00 C ATOM 0 H ALA A 38 2.206 -4.885 -22.887 1.00 0.00 H new ATOM 0 HA ALA A 38 0.940 -4.799 -21.062 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.315 -3.790 -21.159 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.118 -2.825 -22.055 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.263 -3.864 -22.937 1.00 0.00 H new ATOM 570 N GLY A 39 -0.008 -7.065 -20.871 1.00 0.00 N ATOM 571 CA GLY A 39 -0.643 -8.354 -20.670 1.00 0.00 C ATOM 572 C GLY A 39 -1.011 -8.601 -19.222 1.00 0.00 C ATOM 573 O GLY A 39 -1.471 -7.695 -18.527 1.00 0.00 O ATOM 0 H GLY A 39 0.750 -6.855 -20.221 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.541 -8.412 -21.285 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.028 -9.143 -21.010 1.00 0.00 H new ATOM 577 N THR A 40 -0.809 -9.833 -18.768 1.00 0.00 N ATOM 578 CA THR A 40 -1.121 -10.203 -17.393 1.00 0.00 C ATOM 579 C THR A 40 -0.279 -11.393 -16.950 1.00 0.00 C ATOM 580 O THR A 40 -0.539 -12.531 -17.340 1.00 0.00 O ATOM 581 CB THR A 40 -2.608 -10.534 -17.256 1.00 0.00 C ATOM 582 OG1 THR A 40 -3.016 -11.435 -18.270 1.00 0.00 O ATOM 583 CG2 THR A 40 -3.502 -9.315 -17.337 1.00 0.00 C ATOM 0 H THR A 40 -0.430 -10.593 -19.333 1.00 0.00 H new ATOM 0 HA THR A 40 -0.886 -9.354 -16.751 1.00 0.00 H new ATOM 0 HB THR A 40 -2.716 -10.978 -16.266 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.352 -12.150 -18.359 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.543 -9.620 -17.233 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.245 -8.621 -16.536 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.362 -8.825 -18.300 1.00 0.00 H new ATOM 591 N GLU A 41 0.731 -11.122 -16.131 1.00 0.00 N ATOM 592 CA GLU A 41 1.613 -12.170 -15.632 1.00 0.00 C ATOM 593 C GLU A 41 1.783 -12.061 -14.123 1.00 0.00 C ATOM 594 O GLU A 41 2.898 -11.922 -13.618 1.00 0.00 O ATOM 595 CB GLU A 41 2.975 -12.103 -16.326 1.00 0.00 C ATOM 596 CG GLU A 41 2.882 -12.024 -17.842 1.00 0.00 C ATOM 597 CD GLU A 41 3.889 -12.920 -18.535 1.00 0.00 C ATOM 598 OE1 GLU A 41 4.939 -13.215 -17.926 1.00 0.00 O ATOM 599 OE2 GLU A 41 3.629 -13.325 -19.688 1.00 0.00 O ATOM 0 H GLU A 41 0.959 -10.185 -15.799 1.00 0.00 H new ATOM 0 HA GLU A 41 1.155 -13.133 -15.857 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.519 -11.233 -15.958 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.557 -12.983 -16.051 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.876 -12.303 -18.156 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.040 -10.993 -18.159 1.00 0.00 H new ATOM 606 N ASP A 42 0.665 -12.121 -13.409 1.00 0.00 N ATOM 607 CA ASP A 42 0.680 -12.027 -11.955 1.00 0.00 C ATOM 608 C ASP A 42 1.268 -10.693 -11.518 1.00 0.00 C ATOM 609 O ASP A 42 2.254 -10.644 -10.784 1.00 0.00 O ATOM 610 CB ASP A 42 1.481 -13.182 -11.352 1.00 0.00 C ATOM 611 CG ASP A 42 0.637 -14.422 -11.137 1.00 0.00 C ATOM 612 OD1 ASP A 42 -0.437 -14.307 -10.511 1.00 0.00 O ATOM 613 OD2 ASP A 42 1.050 -15.508 -11.593 1.00 0.00 O ATOM 0 H ASP A 42 -0.264 -12.234 -13.814 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.346 -12.092 -11.594 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.316 -13.424 -12.010 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.907 -12.866 -10.400 1.00 0.00 H new ATOM 618 N TYR A 43 0.650 -9.615 -11.981 1.00 0.00 N ATOM 619 CA TYR A 43 1.100 -8.271 -11.649 1.00 0.00 C ATOM 620 C TYR A 43 0.436 -7.772 -10.369 1.00 0.00 C ATOM 621 O TYR A 43 -0.484 -8.403 -9.850 1.00 0.00 O ATOM 622 CB TYR A 43 0.786 -7.311 -12.800 1.00 0.00 C ATOM 623 CG TYR A 43 1.381 -7.719 -14.135 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.538 -8.486 -14.207 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.785 -7.321 -15.325 1.00 0.00 C ATOM 626 CE1 TYR A 43 3.082 -8.844 -15.426 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.321 -7.678 -16.547 1.00 0.00 C ATOM 628 CZ TYR A 43 2.469 -8.439 -16.593 1.00 0.00 C ATOM 629 OH TYR A 43 3.007 -8.794 -17.807 1.00 0.00 O ATOM 0 H TYR A 43 -0.168 -9.646 -12.590 1.00 0.00 H new ATOM 0 HA TYR A 43 2.178 -8.306 -11.489 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.296 -7.232 -12.907 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.154 -6.318 -12.540 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.020 -8.807 -13.295 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.113 -6.722 -15.294 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.983 -9.438 -15.464 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.843 -7.362 -17.462 1.00 0.00 H new ATOM 0 HH TYR A 43 2.454 -8.430 -18.529 1.00 0.00 H new ATOM 639 N ILE A 44 0.903 -6.629 -9.873 1.00 0.00 N ATOM 640 CA ILE A 44 0.347 -6.038 -8.663 1.00 0.00 C ATOM 641 C ILE A 44 -0.469 -4.795 -9.006 1.00 0.00 C ATOM 642 O ILE A 44 0.079 -3.708 -9.186 1.00 0.00 O ATOM 643 CB ILE A 44 1.451 -5.667 -7.650 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.229 -6.914 -7.218 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.853 -4.972 -6.436 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.347 -8.074 -6.807 1.00 0.00 C ATOM 0 H ILE A 44 1.665 -6.095 -10.292 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.300 -6.785 -8.204 1.00 0.00 H new ATOM 0 HB ILE A 44 2.142 -4.979 -8.138 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.872 -7.232 -8.039 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.881 -6.653 -6.385 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.647 -4.719 -5.734 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.344 -4.061 -6.752 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.139 -5.637 -5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.970 -8.919 -6.515 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.722 -7.776 -5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.713 -8.363 -7.645 1.00 0.00 H new ATOM 658 N HIS A 45 -1.780 -4.973 -9.112 1.00 0.00 N ATOM 659 CA HIS A 45 -2.684 -3.879 -9.451 1.00 0.00 C ATOM 660 C HIS A 45 -2.823 -2.880 -8.308 1.00 0.00 C ATOM 661 O HIS A 45 -3.335 -3.210 -7.239 1.00 0.00 O ATOM 662 CB HIS A 45 -4.057 -4.439 -9.819 1.00 0.00 C ATOM 663 CG HIS A 45 -4.493 -4.098 -11.208 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.205 -4.884 -12.303 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.208 -3.050 -11.678 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.725 -4.336 -13.385 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.340 -3.222 -13.034 1.00 0.00 N ATOM 0 H HIS A 45 -2.244 -5.870 -8.967 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.258 -3.349 -10.303 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.038 -5.523 -9.709 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.795 -4.060 -9.113 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.602 -2.230 -11.095 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.659 -4.732 -14.388 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.833 -2.592 -13.667 1.00 0.00 H new ATOM 676 N ILE A 46 -2.378 -1.652 -8.550 1.00 0.00 N ATOM 677 CA ILE A 46 -2.470 -0.592 -7.547 1.00 0.00 C ATOM 678 C ILE A 46 -3.919 -0.099 -7.421 1.00 0.00 C ATOM 679 O ILE A 46 -4.716 -0.702 -6.703 1.00 0.00 O ATOM 680 CB ILE A 46 -1.528 0.587 -7.881 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.080 0.098 -7.984 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.650 1.686 -6.835 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.504 -0.360 -6.664 1.00 0.00 C ATOM 0 H ILE A 46 -1.950 -1.364 -9.430 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.154 -1.010 -6.591 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.823 1.002 -8.845 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.034 -0.725 -8.697 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.538 0.902 -8.385 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.979 2.506 -7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.676 2.052 -6.810 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.382 1.288 -5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.531 -0.692 -6.816 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.491 0.467 -5.954 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.089 -1.185 -6.270 1.00 0.00 H new ATOM 695 N ARG A 47 -4.265 0.988 -8.131 1.00 0.00 N ATOM 696 CA ARG A 47 -5.622 1.538 -8.108 1.00 0.00 C ATOM 697 C ARG A 47 -5.830 2.501 -6.943 1.00 0.00 C ATOM 698 O ARG A 47 -5.691 2.131 -5.778 1.00 0.00 O ATOM 699 CB ARG A 47 -6.670 0.421 -8.051 1.00 0.00 C ATOM 700 CG ARG A 47 -7.970 0.770 -8.755 1.00 0.00 C ATOM 701 CD ARG A 47 -7.802 0.777 -10.266 1.00 0.00 C ATOM 702 NE ARG A 47 -9.041 1.134 -10.953 1.00 0.00 N ATOM 703 CZ ARG A 47 -9.173 1.157 -12.278 1.00 0.00 C ATOM 704 NH1 ARG A 47 -8.147 0.845 -13.059 1.00 0.00 N ATOM 705 NH2 ARG A 47 -10.334 1.494 -12.822 1.00 0.00 N ATOM 0 H ARG A 47 -3.617 1.502 -8.729 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.748 2.097 -9.035 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.253 -0.480 -8.501 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.883 0.187 -7.008 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.740 0.050 -8.477 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.314 1.749 -8.422 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.019 1.484 -10.540 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.474 -0.208 -10.599 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.852 1.380 -10.385 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.251 0.586 -12.645 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.254 0.864 -14.073 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.126 1.736 -12.226 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.436 1.512 -13.837 1.00 0.00 H new ATOM 719 N ILE A 48 -6.182 3.738 -7.280 1.00 0.00 N ATOM 720 CA ILE A 48 -6.436 4.775 -6.286 1.00 0.00 C ATOM 721 C ILE A 48 -7.931 5.085 -6.214 1.00 0.00 C ATOM 722 O ILE A 48 -8.669 4.852 -7.173 1.00 0.00 O ATOM 723 CB ILE A 48 -5.655 6.076 -6.610 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.196 5.951 -6.167 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.303 7.289 -5.952 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.388 7.210 -6.398 1.00 0.00 C ATOM 0 H ILE A 48 -6.299 4.049 -8.245 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.093 4.398 -5.323 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.684 6.221 -7.690 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.166 5.698 -5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.730 5.125 -6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.732 8.185 -6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.325 7.398 -6.316 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.316 7.153 -4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.363 7.052 -6.062 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.388 7.452 -7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.830 8.034 -5.838 1.00 0.00 H new ATOM 738 N GLN A 49 -8.369 5.619 -5.078 1.00 0.00 N ATOM 739 CA GLN A 49 -9.772 5.971 -4.891 1.00 0.00 C ATOM 740 C GLN A 49 -9.899 7.353 -4.257 1.00 0.00 C ATOM 741 O GLN A 49 -9.737 7.511 -3.047 1.00 0.00 O ATOM 742 CB GLN A 49 -10.475 4.927 -4.023 1.00 0.00 C ATOM 743 CG GLN A 49 -9.914 4.823 -2.615 1.00 0.00 C ATOM 744 CD GLN A 49 -9.964 3.409 -2.071 1.00 0.00 C ATOM 745 OE1 GLN A 49 -8.932 2.757 -1.905 1.00 0.00 O ATOM 746 NE2 GLN A 49 -11.169 2.926 -1.791 1.00 0.00 N ATOM 0 H GLN A 49 -7.773 5.817 -4.274 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.251 5.992 -5.870 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.536 5.171 -3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.398 3.954 -4.508 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.882 5.173 -2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.476 5.483 -1.954 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.997 3.501 -1.944 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.266 1.980 -1.423 1.00 0.00 H new ATOM 755 N GLN A 50 -10.181 8.354 -5.086 1.00 0.00 N ATOM 756 CA GLN A 50 -10.320 9.725 -4.608 1.00 0.00 C ATOM 757 C GLN A 50 -11.787 10.115 -4.465 1.00 0.00 C ATOM 758 O GLN A 50 -12.522 10.185 -5.451 1.00 0.00 O ATOM 759 CB GLN A 50 -9.612 10.691 -5.563 1.00 0.00 C ATOM 760 CG GLN A 50 -8.753 11.723 -4.854 1.00 0.00 C ATOM 761 CD GLN A 50 -7.858 12.493 -5.805 1.00 0.00 C ATOM 762 OE1 GLN A 50 -8.133 12.578 -7.002 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.780 13.057 -5.275 1.00 0.00 N ATOM 0 H GLN A 50 -10.317 8.241 -6.091 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.855 9.786 -3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.987 10.119 -6.248 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.359 11.205 -6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.398 12.422 -4.322 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.137 11.225 -4.105 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.592 12.960 -4.277 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.139 13.587 -5.865 1.00 0.00 H new ATOM 772 N ARG A 51 -12.206 10.375 -3.231 1.00 0.00 N ATOM 773 CA ARG A 51 -13.583 10.767 -2.955 1.00 0.00 C ATOM 774 C ARG A 51 -13.682 12.277 -2.766 1.00 0.00 C ATOM 775 O ARG A 51 -12.834 12.886 -2.114 1.00 0.00 O ATOM 776 CB ARG A 51 -14.104 10.047 -1.710 1.00 0.00 C ATOM 777 CG ARG A 51 -14.499 8.601 -1.964 1.00 0.00 C ATOM 778 CD ARG A 51 -13.868 7.662 -0.947 1.00 0.00 C ATOM 779 NE ARG A 51 -14.288 7.971 0.417 1.00 0.00 N ATOM 780 CZ ARG A 51 -15.493 7.685 0.905 1.00 0.00 C ATOM 781 NH1 ARG A 51 -16.398 7.080 0.145 1.00 0.00 N ATOM 782 NH2 ARG A 51 -15.794 8.001 2.157 1.00 0.00 N ATOM 0 H ARG A 51 -11.610 10.321 -2.405 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.198 10.481 -3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.336 10.075 -0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.967 10.588 -1.322 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.584 8.507 -1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -14.192 8.310 -2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.139 6.634 -1.186 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.782 7.729 -1.016 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.618 8.433 1.032 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.172 6.832 -0.818 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.320 6.863 0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.102 8.463 2.747 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.717 7.782 2.530 1.00 0.00 H new ATOM 796 N ASN A 52 -14.714 12.877 -3.347 1.00 0.00 N ATOM 797 CA ASN A 52 -14.913 14.318 -3.247 1.00 0.00 C ATOM 798 C ASN A 52 -13.720 15.074 -3.827 1.00 0.00 C ATOM 799 O ASN A 52 -13.495 16.241 -3.505 1.00 0.00 O ATOM 800 CB ASN A 52 -15.130 14.730 -1.789 1.00 0.00 C ATOM 801 CG ASN A 52 -16.077 13.799 -1.056 1.00 0.00 C ATOM 802 OD1 ASN A 52 -17.098 13.380 -1.600 1.00 0.00 O ATOM 803 ND2 ASN A 52 -15.742 13.472 0.186 1.00 0.00 N ATOM 0 H ASN A 52 -15.425 12.389 -3.892 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.801 14.574 -3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.170 14.746 -1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.526 15.745 -1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.341 12.850 0.729 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.886 13.843 0.598 1.00 0.00 H new ATOM 810 N GLY A 53 -12.959 14.399 -4.684 1.00 0.00 N ATOM 811 CA GLY A 53 -11.800 15.019 -5.296 1.00 0.00 C ATOM 812 C GLY A 53 -10.742 15.406 -4.282 1.00 0.00 C ATOM 813 O GLY A 53 -10.217 16.519 -4.320 1.00 0.00 O ATOM 0 H GLY A 53 -13.126 13.433 -4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.367 14.332 -6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.115 15.907 -5.844 1.00 0.00 H new ATOM 817 N ARG A 54 -10.424 14.487 -3.375 1.00 0.00 N ATOM 818 CA ARG A 54 -9.419 14.749 -2.352 1.00 0.00 C ATOM 819 C ARG A 54 -9.147 13.506 -1.509 1.00 0.00 C ATOM 820 O ARG A 54 -7.997 13.196 -1.200 1.00 0.00 O ATOM 821 CB ARG A 54 -9.862 15.911 -1.458 1.00 0.00 C ATOM 822 CG ARG A 54 -10.998 15.560 -0.510 1.00 0.00 C ATOM 823 CD ARG A 54 -11.321 16.717 0.422 1.00 0.00 C ATOM 824 NE ARG A 54 -10.404 16.777 1.558 1.00 0.00 N ATOM 825 CZ ARG A 54 -10.415 17.745 2.470 1.00 0.00 C ATOM 826 NH1 ARG A 54 -11.294 18.737 2.384 1.00 0.00 N ATOM 827 NH2 ARG A 54 -9.547 17.723 3.471 1.00 0.00 N ATOM 0 H ARG A 54 -10.846 13.559 -3.328 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.491 15.022 -2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.008 16.254 -0.874 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.172 16.744 -2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.885 15.296 -1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.726 14.683 0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.273 17.654 -0.133 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.343 16.615 0.786 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.714 16.032 1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.965 18.759 1.616 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.298 19.477 3.086 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.870 16.963 3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.556 18.466 4.170 1.00 0.00 H new ATOM 841 N LYS A 55 -10.209 12.799 -1.137 1.00 0.00 N ATOM 842 CA LYS A 55 -10.075 11.593 -0.328 1.00 0.00 C ATOM 843 C LYS A 55 -9.440 10.466 -1.138 1.00 0.00 C ATOM 844 O LYS A 55 -10.089 9.468 -1.453 1.00 0.00 O ATOM 845 CB LYS A 55 -11.443 11.158 0.209 1.00 0.00 C ATOM 846 CG LYS A 55 -11.622 11.421 1.696 1.00 0.00 C ATOM 847 CD LYS A 55 -10.658 10.591 2.530 1.00 0.00 C ATOM 848 CE LYS A 55 -9.575 11.455 3.157 1.00 0.00 C ATOM 849 NZ LYS A 55 -9.868 11.765 4.584 1.00 0.00 N ATOM 0 H LYS A 55 -11.169 13.039 -1.382 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.422 11.817 0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.224 11.682 -0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.578 10.093 0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.463 12.480 1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.647 11.191 1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.209 10.071 3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.198 9.827 1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.616 10.942 3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.482 12.385 2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.106 12.356 4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.771 12.277 4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.932 10.879 5.126 1.00 0.00 H new ATOM 863 N THR A 56 -8.166 10.637 -1.475 1.00 0.00 N ATOM 864 CA THR A 56 -7.437 9.642 -2.251 1.00 0.00 C ATOM 865 C THR A 56 -6.969 8.493 -1.364 1.00 0.00 C ATOM 866 O THR A 56 -6.511 8.708 -0.242 1.00 0.00 O ATOM 867 CB THR A 56 -6.236 10.290 -2.945 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.351 11.703 -2.938 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.068 9.851 -4.383 1.00 0.00 C ATOM 0 H THR A 56 -7.616 11.458 -1.222 1.00 0.00 H new ATOM 0 HA THR A 56 -8.112 9.239 -3.006 1.00 0.00 H new ATOM 0 HB THR A 56 -5.365 9.963 -2.377 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.462 12.104 -3.034 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.199 10.347 -4.816 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.925 8.771 -4.419 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.959 10.118 -4.951 1.00 0.00 H new ATOM 877 N LEU A 57 -7.086 7.273 -1.878 1.00 0.00 N ATOM 878 CA LEU A 57 -6.672 6.088 -1.136 1.00 0.00 C ATOM 879 C LEU A 57 -6.100 5.034 -2.082 1.00 0.00 C ATOM 880 O LEU A 57 -6.844 4.281 -2.709 1.00 0.00 O ATOM 881 CB LEU A 57 -7.852 5.507 -0.355 1.00 0.00 C ATOM 882 CG LEU A 57 -7.761 5.674 1.163 1.00 0.00 C ATOM 883 CD1 LEU A 57 -8.050 7.114 1.558 1.00 0.00 C ATOM 884 CD2 LEU A 57 -8.718 4.721 1.863 1.00 0.00 C ATOM 0 H LEU A 57 -7.464 7.079 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.895 6.382 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.769 5.981 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.934 4.445 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.746 5.430 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.981 7.215 2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.323 7.774 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.054 7.386 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.639 4.854 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.739 4.932 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.462 3.693 1.604 1.00 0.00 H new ATOM 896 N THR A 58 -4.776 4.991 -2.184 1.00 0.00 N ATOM 897 CA THR A 58 -4.108 4.034 -3.060 1.00 0.00 C ATOM 898 C THR A 58 -4.214 2.617 -2.511 1.00 0.00 C ATOM 899 O THR A 58 -3.849 2.356 -1.366 1.00 0.00 O ATOM 900 CB THR A 58 -2.636 4.414 -3.227 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.463 5.820 -3.158 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.043 3.941 -4.536 1.00 0.00 C ATOM 0 H THR A 58 -4.144 5.607 -1.672 1.00 0.00 H new ATOM 0 HA THR A 58 -4.604 4.064 -4.030 1.00 0.00 H new ATOM 0 HB THR A 58 -2.117 3.916 -2.408 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.660 6.130 -2.249 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.997 4.243 -4.592 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.111 2.855 -4.595 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.593 4.384 -5.366 1.00 0.00 H new ATOM 910 N THR A 59 -4.705 1.698 -3.337 1.00 0.00 N ATOM 911 CA THR A 59 -4.846 0.306 -2.928 1.00 0.00 C ATOM 912 C THR A 59 -3.825 -0.574 -3.636 1.00 0.00 C ATOM 913 O THR A 59 -3.345 -0.238 -4.718 1.00 0.00 O ATOM 914 CB THR A 59 -6.260 -0.203 -3.219 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.877 0.578 -4.227 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.164 -0.187 -2.007 1.00 0.00 C ATOM 0 H THR A 59 -5.011 1.892 -4.291 1.00 0.00 H new ATOM 0 HA THR A 59 -4.666 0.255 -1.854 1.00 0.00 H new ATOM 0 HB THR A 59 -6.133 -1.236 -3.543 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.254 0.699 -4.974 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.150 -0.560 -2.284 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.741 -0.822 -1.229 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.254 0.833 -1.633 1.00 0.00 H new ATOM 924 N VAL A 60 -3.498 -1.705 -3.021 1.00 0.00 N ATOM 925 CA VAL A 60 -2.536 -2.636 -3.601 1.00 0.00 C ATOM 926 C VAL A 60 -3.139 -4.025 -3.763 1.00 0.00 C ATOM 927 O VAL A 60 -3.513 -4.672 -2.784 1.00 0.00 O ATOM 928 CB VAL A 60 -1.256 -2.736 -2.750 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.246 -3.674 -3.400 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.654 -1.357 -2.546 1.00 0.00 C ATOM 0 H VAL A 60 -3.883 -1.999 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.275 -2.242 -4.583 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.519 -3.148 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.650 -3.729 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.682 -4.668 -3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.018 -3.296 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.250 -1.440 -1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.406 -0.921 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.374 -0.718 -2.034 1.00 0.00 H new ATOM 940 N GLN A 61 -3.221 -4.478 -5.011 1.00 0.00 N ATOM 941 CA GLN A 61 -3.769 -5.793 -5.319 1.00 0.00 C ATOM 942 C GLN A 61 -2.690 -6.691 -5.912 1.00 0.00 C ATOM 943 O GLN A 61 -1.868 -6.244 -6.710 1.00 0.00 O ATOM 944 CB GLN A 61 -4.939 -5.671 -6.295 1.00 0.00 C ATOM 945 CG GLN A 61 -6.096 -6.606 -5.975 1.00 0.00 C ATOM 946 CD GLN A 61 -6.479 -7.492 -7.145 1.00 0.00 C ATOM 947 OE1 GLN A 61 -6.802 -8.667 -6.970 1.00 0.00 O ATOM 948 NE2 GLN A 61 -6.446 -6.933 -8.348 1.00 0.00 N ATOM 0 H GLN A 61 -2.913 -3.950 -5.828 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.131 -6.239 -4.392 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.301 -4.643 -6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.583 -5.878 -7.304 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.826 -7.232 -5.125 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.961 -6.015 -5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.173 -5.956 -8.449 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.694 -7.481 -9.172 1.00 0.00 H new ATOM 957 N GLY A 62 -2.698 -7.958 -5.518 1.00 0.00 N ATOM 958 CA GLY A 62 -1.712 -8.895 -6.019 1.00 0.00 C ATOM 959 C GLY A 62 -0.805 -9.424 -4.925 1.00 0.00 C ATOM 960 O GLY A 62 -0.485 -10.612 -4.898 1.00 0.00 O ATOM 0 H GLY A 62 -3.370 -8.353 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.221 -9.730 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.107 -8.407 -6.783 1.00 0.00 H new ATOM 964 N ILE A 63 -0.393 -8.541 -4.014 1.00 0.00 N ATOM 965 CA ILE A 63 0.477 -8.931 -2.908 1.00 0.00 C ATOM 966 C ILE A 63 -0.065 -10.185 -2.223 1.00 0.00 C ATOM 967 O ILE A 63 -1.274 -10.412 -2.190 1.00 0.00 O ATOM 968 CB ILE A 63 0.641 -7.768 -1.891 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.663 -6.748 -2.408 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.065 -8.267 -0.515 1.00 0.00 C ATOM 971 CD1 ILE A 63 1.565 -6.477 -3.892 1.00 0.00 C ATOM 0 H ILE A 63 -0.648 -7.553 -4.022 1.00 0.00 H new ATOM 0 HA ILE A 63 1.464 -9.159 -3.311 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.334 -7.291 -1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.530 -5.810 -1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.667 -7.107 -2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.168 -7.420 0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.311 -8.953 -0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.020 -8.786 -0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.321 -5.746 -4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.729 -7.403 -4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.575 -6.086 -4.126 1.00 0.00 H new ATOM 983 N ALA A 64 0.838 -11.003 -1.707 1.00 0.00 N ATOM 984 CA ALA A 64 0.456 -12.250 -1.053 1.00 0.00 C ATOM 985 C ALA A 64 0.225 -12.065 0.441 1.00 0.00 C ATOM 986 O ALA A 64 0.621 -11.056 1.024 1.00 0.00 O ATOM 987 CB ALA A 64 1.518 -13.312 -1.291 1.00 0.00 C ATOM 0 H ALA A 64 1.843 -10.828 -1.727 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.488 -12.574 -1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.223 -14.239 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.623 -13.488 -2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.470 -12.972 -0.884 1.00 0.00 H new ATOM 993 N ASP A 65 -0.410 -13.058 1.055 1.00 0.00 N ATOM 994 CA ASP A 65 -0.688 -13.022 2.484 1.00 0.00 C ATOM 995 C ASP A 65 0.600 -13.207 3.277 1.00 0.00 C ATOM 996 O ASP A 65 0.729 -12.715 4.398 1.00 0.00 O ATOM 997 CB ASP A 65 -1.695 -14.111 2.858 1.00 0.00 C ATOM 998 CG ASP A 65 -2.665 -13.659 3.932 1.00 0.00 C ATOM 999 OD1 ASP A 65 -2.240 -13.520 5.098 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -3.852 -13.442 3.607 1.00 0.00 O ATOM 0 H ASP A 65 -0.742 -13.899 0.583 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.116 -12.050 2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.253 -14.406 1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.159 -14.994 3.205 1.00 0.00 H new ATOM 1005 N ASP A 66 1.558 -13.913 2.679 1.00 0.00 N ATOM 1006 CA ASP A 66 2.843 -14.155 3.321 1.00 0.00 C ATOM 1007 C ASP A 66 3.593 -12.842 3.507 1.00 0.00 C ATOM 1008 O ASP A 66 4.370 -12.684 4.448 1.00 0.00 O ATOM 1009 CB ASP A 66 3.682 -15.125 2.487 1.00 0.00 C ATOM 1010 CG ASP A 66 3.504 -16.566 2.922 1.00 0.00 C ATOM 1011 OD1 ASP A 66 2.400 -16.912 3.393 1.00 0.00 O ATOM 1012 OD2 ASP A 66 4.468 -17.349 2.793 1.00 0.00 O ATOM 0 H ASP A 66 1.466 -14.326 1.751 1.00 0.00 H new ATOM 0 HA ASP A 66 2.663 -14.601 4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.406 -15.029 1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.734 -14.852 2.567 1.00 0.00 H new ATOM 1017 N TYR A 67 3.345 -11.898 2.603 1.00 0.00 N ATOM 1018 CA TYR A 67 3.984 -10.590 2.660 1.00 0.00 C ATOM 1019 C TYR A 67 3.789 -9.959 4.038 1.00 0.00 C ATOM 1020 O TYR A 67 2.660 -9.699 4.455 1.00 0.00 O ATOM 1021 CB TYR A 67 3.400 -9.669 1.585 1.00 0.00 C ATOM 1022 CG TYR A 67 3.931 -9.915 0.190 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.385 -11.168 -0.206 1.00 0.00 C ATOM 1024 CD2 TYR A 67 3.974 -8.883 -0.735 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.866 -11.378 -1.485 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.451 -9.083 -2.011 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.897 -10.333 -2.385 1.00 0.00 C ATOM 1028 OH TYR A 67 5.374 -10.538 -3.658 1.00 0.00 O ATOM 0 H TYR A 67 2.703 -12.017 1.820 1.00 0.00 H new ATOM 0 HA TYR A 67 5.051 -10.721 2.479 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.316 -9.787 1.573 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.605 -8.635 1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.362 -11.989 0.495 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.626 -7.902 -0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.216 -12.357 -1.778 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.476 -8.265 -2.716 1.00 0.00 H new ATOM 0 HH TYR A 67 6.060 -9.869 -3.862 1.00 0.00 H new ATOM 1038 N ASP A 68 4.892 -9.716 4.742 1.00 0.00 N ATOM 1039 CA ASP A 68 4.832 -9.117 6.073 1.00 0.00 C ATOM 1040 C ASP A 68 3.947 -7.874 6.075 1.00 0.00 C ATOM 1041 O ASP A 68 4.388 -6.785 5.711 1.00 0.00 O ATOM 1042 CB ASP A 68 6.238 -8.758 6.557 1.00 0.00 C ATOM 1043 CG ASP A 68 6.878 -9.878 7.356 1.00 0.00 C ATOM 1044 OD1 ASP A 68 6.536 -11.053 7.109 1.00 0.00 O ATOM 1045 OD2 ASP A 68 7.721 -9.579 8.228 1.00 0.00 O ATOM 0 H ASP A 68 5.835 -9.924 4.414 1.00 0.00 H new ATOM 0 HA ASP A 68 4.396 -9.849 6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.866 -8.523 5.698 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.189 -7.859 7.171 1.00 0.00 H new ATOM 1050 N LYS A 69 2.690 -8.051 6.486 1.00 0.00 N ATOM 1051 CA LYS A 69 1.723 -6.954 6.536 1.00 0.00 C ATOM 1052 C LYS A 69 2.353 -5.673 7.077 1.00 0.00 C ATOM 1053 O LYS A 69 2.327 -4.633 6.419 1.00 0.00 O ATOM 1054 CB LYS A 69 0.525 -7.348 7.401 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.653 -6.396 7.277 1.00 0.00 C ATOM 1056 CD LYS A 69 -1.944 -7.043 7.751 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.020 -7.089 9.269 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.851 -5.983 9.817 1.00 0.00 N ATOM 0 H LYS A 69 2.317 -8.950 6.791 1.00 0.00 H new ATOM 0 HA LYS A 69 1.389 -6.760 5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.202 -8.351 7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.839 -7.391 8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.459 -5.497 7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.762 -6.083 6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.796 -6.487 7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.013 -8.055 7.351 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.437 -8.046 9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.014 -7.028 9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.627 -5.847 10.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.649 -5.106 9.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.858 -6.222 9.715 1.00 0.00 H new ATOM 1072 N LYS A 70 2.916 -5.754 8.277 1.00 0.00 N ATOM 1073 CA LYS A 70 3.550 -4.599 8.899 1.00 0.00 C ATOM 1074 C LYS A 70 4.684 -4.067 8.030 1.00 0.00 C ATOM 1075 O LYS A 70 4.765 -2.870 7.759 1.00 0.00 O ATOM 1076 CB LYS A 70 4.083 -4.966 10.286 1.00 0.00 C ATOM 1077 CG LYS A 70 3.004 -5.433 11.249 1.00 0.00 C ATOM 1078 CD LYS A 70 3.564 -5.656 12.644 1.00 0.00 C ATOM 1079 CE LYS A 70 2.855 -6.797 13.354 1.00 0.00 C ATOM 1080 NZ LYS A 70 3.452 -8.118 13.015 1.00 0.00 N ATOM 0 H LYS A 70 2.946 -6.606 8.837 1.00 0.00 H new ATOM 0 HA LYS A 70 2.798 -3.817 9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.831 -5.752 10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.589 -4.100 10.713 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.206 -4.692 11.290 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.561 -6.359 10.881 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.630 -5.874 12.579 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.461 -4.742 13.229 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.906 -6.641 14.432 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.800 -6.795 13.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.940 -8.870 13.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.381 -8.278 11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.452 -8.130 13.299 1.00 0.00 H new ATOM 1094 N LYS A 71 5.558 -4.967 7.593 1.00 0.00 N ATOM 1095 CA LYS A 71 6.689 -4.589 6.752 1.00 0.00 C ATOM 1096 C LYS A 71 6.231 -3.858 5.489 1.00 0.00 C ATOM 1097 O LYS A 71 7.033 -3.209 4.818 1.00 0.00 O ATOM 1098 CB LYS A 71 7.499 -5.829 6.368 1.00 0.00 C ATOM 1099 CG LYS A 71 8.752 -5.512 5.567 1.00 0.00 C ATOM 1100 CD LYS A 71 9.752 -4.713 6.386 1.00 0.00 C ATOM 1101 CE LYS A 71 10.892 -4.196 5.523 1.00 0.00 C ATOM 1102 NZ LYS A 71 12.197 -4.249 6.237 1.00 0.00 N ATOM 0 H LYS A 71 5.506 -5.963 7.807 1.00 0.00 H new ATOM 0 HA LYS A 71 7.316 -3.908 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.783 -6.363 7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.867 -6.501 5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.215 -6.440 5.231 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.481 -4.950 4.673 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.246 -3.874 6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.153 -5.338 7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.953 -4.788 4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.684 -3.169 5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.948 -3.888 5.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.147 -3.664 7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.409 -5.232 6.501 1.00 0.00 H new ATOM 1116 N LEU A 72 4.945 -3.971 5.161 1.00 0.00 N ATOM 1117 CA LEU A 72 4.408 -3.322 3.972 1.00 0.00 C ATOM 1118 C LEU A 72 3.707 -2.016 4.323 1.00 0.00 C ATOM 1119 O LEU A 72 4.129 -0.946 3.890 1.00 0.00 O ATOM 1120 CB LEU A 72 3.434 -4.256 3.245 1.00 0.00 C ATOM 1121 CG LEU A 72 4.034 -5.564 2.700 1.00 0.00 C ATOM 1122 CD1 LEU A 72 5.518 -5.680 3.035 1.00 0.00 C ATOM 1123 CD2 LEU A 72 3.270 -6.761 3.243 1.00 0.00 C ATOM 0 H LEU A 72 4.261 -4.503 5.700 1.00 0.00 H new ATOM 0 HA LEU A 72 5.246 -3.095 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.624 -4.508 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.989 -3.709 2.413 1.00 0.00 H new ATOM 0 HG LEU A 72 3.940 -5.548 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.909 -6.615 2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.057 -4.842 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.649 -5.665 4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.705 -7.680 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.331 -6.768 4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.226 -6.695 2.938 1.00 0.00 H new ATOM 1135 N VAL A 73 2.635 -2.106 5.103 1.00 0.00 N ATOM 1136 CA VAL A 73 1.884 -0.921 5.496 1.00 0.00 C ATOM 1137 C VAL A 73 2.588 -0.169 6.621 1.00 0.00 C ATOM 1138 O VAL A 73 2.739 1.051 6.563 1.00 0.00 O ATOM 1139 CB VAL A 73 0.443 -1.276 5.923 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.424 -1.954 7.287 1.00 0.00 C ATOM 1141 CG2 VAL A 73 -0.431 -0.032 5.922 1.00 0.00 C ATOM 0 H VAL A 73 2.269 -2.983 5.474 1.00 0.00 H new ATOM 0 HA VAL A 73 1.832 -0.274 4.620 1.00 0.00 H new ATOM 0 HB VAL A 73 0.038 -1.983 5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.604 -2.192 7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.010 -2.872 7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.852 -1.284 8.032 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.444 -0.298 6.225 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.024 0.699 6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.453 0.396 4.920 1.00 0.00 H new ATOM 1151 N LYS A 74 3.030 -0.903 7.638 1.00 0.00 N ATOM 1152 CA LYS A 74 3.731 -0.291 8.762 1.00 0.00 C ATOM 1153 C LYS A 74 5.012 0.372 8.273 1.00 0.00 C ATOM 1154 O LYS A 74 5.331 1.496 8.660 1.00 0.00 O ATOM 1155 CB LYS A 74 4.056 -1.334 9.832 1.00 0.00 C ATOM 1156 CG LYS A 74 4.026 -0.783 11.249 1.00 0.00 C ATOM 1157 CD LYS A 74 5.155 0.208 11.485 1.00 0.00 C ATOM 1158 CE LYS A 74 5.835 -0.027 12.826 1.00 0.00 C ATOM 1159 NZ LYS A 74 6.046 1.245 13.571 1.00 0.00 N ATOM 0 H LYS A 74 2.917 -1.914 7.707 1.00 0.00 H new ATOM 0 HA LYS A 74 3.082 0.464 9.206 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.343 -2.155 9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.044 -1.750 9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.068 -0.295 11.431 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.106 -1.604 11.962 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.889 0.122 10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.762 1.224 11.449 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.228 -0.704 13.427 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.795 -0.517 12.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.511 1.043 14.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.646 1.881 13.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.128 1.701 13.747 1.00 0.00 H new ATOM 1173 N ALA A 75 5.732 -0.330 7.404 1.00 0.00 N ATOM 1174 CA ALA A 75 6.966 0.193 6.840 1.00 0.00 C ATOM 1175 C ALA A 75 6.667 1.388 5.948 1.00 0.00 C ATOM 1176 O ALA A 75 7.402 2.375 5.948 1.00 0.00 O ATOM 1177 CB ALA A 75 7.698 -0.888 6.060 1.00 0.00 C ATOM 0 H ALA A 75 5.480 -1.263 7.076 1.00 0.00 H new ATOM 0 HA ALA A 75 7.612 0.519 7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.619 -0.477 5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.938 -1.718 6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.063 -1.245 5.249 1.00 0.00 H new ATOM 1183 N PHE A 76 5.571 1.298 5.195 1.00 0.00 N ATOM 1184 CA PHE A 76 5.163 2.384 4.307 1.00 0.00 C ATOM 1185 C PHE A 76 5.135 3.712 5.062 1.00 0.00 C ATOM 1186 O PHE A 76 5.534 4.749 4.533 1.00 0.00 O ATOM 1187 CB PHE A 76 3.781 2.102 3.711 1.00 0.00 C ATOM 1188 CG PHE A 76 3.508 2.867 2.449 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.966 2.399 1.229 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.803 4.059 2.485 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.725 3.104 0.067 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.560 4.769 1.325 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.022 4.291 0.114 1.00 0.00 C ATOM 0 H PHE A 76 4.952 0.487 5.183 1.00 0.00 H new ATOM 0 HA PHE A 76 5.891 2.450 3.498 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.693 1.035 3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.018 2.349 4.449 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.518 1.472 1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.440 4.437 3.429 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.086 2.727 -0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.009 5.697 1.365 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.834 4.845 -0.794 1.00 0.00 H new ATOM 1203 N LYS A 77 4.663 3.667 6.305 1.00 0.00 N ATOM 1204 CA LYS A 77 4.584 4.862 7.141 1.00 0.00 C ATOM 1205 C LYS A 77 5.966 5.281 7.644 1.00 0.00 C ATOM 1206 O LYS A 77 6.116 6.333 8.263 1.00 0.00 O ATOM 1207 CB LYS A 77 3.655 4.614 8.330 1.00 0.00 C ATOM 1208 CG LYS A 77 2.266 4.141 7.928 1.00 0.00 C ATOM 1209 CD LYS A 77 1.807 2.959 8.770 1.00 0.00 C ATOM 1210 CE LYS A 77 0.615 3.324 9.642 1.00 0.00 C ATOM 1211 NZ LYS A 77 0.770 2.821 11.034 1.00 0.00 N ATOM 0 H LYS A 77 4.329 2.815 6.756 1.00 0.00 H new ATOM 0 HA LYS A 77 4.183 5.670 6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.108 3.870 8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.564 5.534 8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.557 4.962 8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.269 3.858 6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.540 2.128 8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.629 2.619 9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.496 4.407 9.659 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.294 2.910 9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.063 3.091 11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.858 1.785 11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.623 3.236 11.460 1.00 0.00 H new ATOM 1225 N LYS A 78 6.973 4.455 7.377 1.00 0.00 N ATOM 1226 CA LYS A 78 8.335 4.749 7.802 1.00 0.00 C ATOM 1227 C LYS A 78 9.182 5.221 6.623 1.00 0.00 C ATOM 1228 O LYS A 78 10.203 5.885 6.807 1.00 0.00 O ATOM 1229 CB LYS A 78 8.968 3.506 8.432 1.00 0.00 C ATOM 1230 CG LYS A 78 9.487 3.737 9.842 1.00 0.00 C ATOM 1231 CD LYS A 78 9.439 2.462 10.668 1.00 0.00 C ATOM 1232 CE LYS A 78 9.772 2.731 12.127 1.00 0.00 C ATOM 1233 NZ LYS A 78 10.399 1.549 12.781 1.00 0.00 N ATOM 0 H LYS A 78 6.870 3.577 6.868 1.00 0.00 H new ATOM 0 HA LYS A 78 8.297 5.548 8.542 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.231 2.703 8.452 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.790 3.168 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.512 4.105 9.798 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.891 4.510 10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.446 2.018 10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.143 1.736 10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.448 3.584 12.194 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.862 3.002 12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.611 1.773 13.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.744 0.742 12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.280 1.305 12.286 1.00 0.00 H new ATOM 1247 N LYS A 79 8.757 4.869 5.414 1.00 0.00 N ATOM 1248 CA LYS A 79 9.480 5.249 4.206 1.00 0.00 C ATOM 1249 C LYS A 79 8.988 6.587 3.661 1.00 0.00 C ATOM 1250 O LYS A 79 9.787 7.431 3.253 1.00 0.00 O ATOM 1251 CB LYS A 79 9.332 4.164 3.137 1.00 0.00 C ATOM 1252 CG LYS A 79 10.609 3.902 2.356 1.00 0.00 C ATOM 1253 CD LYS A 79 10.314 3.389 0.954 1.00 0.00 C ATOM 1254 CE LYS A 79 10.802 4.359 -0.110 1.00 0.00 C ATOM 1255 NZ LYS A 79 12.189 4.829 0.162 1.00 0.00 N ATOM 0 H LYS A 79 7.914 4.320 5.245 1.00 0.00 H new ATOM 0 HA LYS A 79 10.533 5.356 4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.011 3.238 3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.544 4.455 2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.192 4.821 2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.219 3.173 2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.793 2.420 0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.241 3.233 0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.767 3.875 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.130 5.216 -0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.745 4.797 -0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.161 5.806 0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.631 4.213 0.874 1.00 0.00 H new ATOM 1269 N PHE A 80 7.672 6.771 3.643 1.00 0.00 N ATOM 1270 CA PHE A 80 7.083 8.007 3.132 1.00 0.00 C ATOM 1271 C PHE A 80 6.324 8.763 4.221 1.00 0.00 C ATOM 1272 O PHE A 80 5.979 9.932 4.045 1.00 0.00 O ATOM 1273 CB PHE A 80 6.140 7.706 1.965 1.00 0.00 C ATOM 1274 CG PHE A 80 6.573 6.542 1.119 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.214 5.249 1.463 1.00 0.00 C ATOM 1276 CD2 PHE A 80 7.338 6.741 -0.019 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.609 4.177 0.690 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.737 5.671 -0.797 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.372 4.388 -0.441 1.00 0.00 C ATOM 0 H PHE A 80 6.994 6.084 3.974 1.00 0.00 H new ATOM 0 HA PHE A 80 7.902 8.638 2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.143 7.506 2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 80 6.063 8.592 1.335 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.618 5.078 2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.625 7.743 -0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.322 3.174 0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.333 5.838 -1.682 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.683 3.550 -1.047 1.00 0.00 H new ATOM 1289 N ALA A 81 6.055 8.097 5.341 1.00 0.00 N ATOM 1290 CA ALA A 81 5.326 8.722 6.440 1.00 0.00 C ATOM 1291 C ALA A 81 3.873 8.956 6.054 1.00 0.00 C ATOM 1292 O ALA A 81 3.279 9.975 6.411 1.00 0.00 O ATOM 1293 CB ALA A 81 5.989 10.031 6.847 1.00 0.00 C ATOM 0 H ALA A 81 6.329 7.129 5.511 1.00 0.00 H new ATOM 0 HA ALA A 81 5.349 8.046 7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.431 10.482 7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.012 9.836 7.168 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.999 10.713 5.997 1.00 0.00 H new ATOM 1299 N CYS A 82 3.307 8.006 5.318 1.00 0.00 N ATOM 1300 CA CYS A 82 1.922 8.103 4.875 1.00 0.00 C ATOM 1301 C CYS A 82 1.034 7.135 5.648 1.00 0.00 C ATOM 1302 O CYS A 82 1.513 6.146 6.203 1.00 0.00 O ATOM 1303 CB CYS A 82 1.824 7.818 3.376 1.00 0.00 C ATOM 1304 SG CYS A 82 0.207 8.189 2.660 1.00 0.00 S ATOM 0 H CYS A 82 3.787 7.159 5.015 1.00 0.00 H new ATOM 0 HA CYS A 82 1.575 9.118 5.068 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.583 8.402 2.855 1.00 0.00 H new ATOM 0 HB3 CYS A 82 2.055 6.767 3.201 1.00 0.00 H new ATOM 0 HG CYS A 82 0.020 7.453 1.605 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.262 7.426 5.680 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.219 6.581 6.384 1.00 0.00 C ATOM 1312 C ASN A 83 -1.607 5.377 5.533 1.00 0.00 C ATOM 1313 O ASN A 83 -2.044 5.526 4.393 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.468 7.385 6.750 1.00 0.00 C ATOM 1315 CG ASN A 83 -2.341 8.068 8.097 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -2.528 9.279 8.213 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -2.019 7.292 9.126 1.00 0.00 N ATOM 0 H ASN A 83 -0.674 8.241 5.226 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.746 6.221 7.298 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.652 8.135 5.981 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.333 6.722 6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.918 7.696 10.057 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.873 6.292 8.985 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.441 4.184 6.094 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.778 2.974 5.370 1.00 0.00 C ATOM 1326 C GLY A 84 -2.582 2.000 6.205 1.00 0.00 C ATOM 1327 O GLY A 84 -2.392 1.902 7.417 1.00 0.00 O ATOM 0 H GLY A 84 -1.080 4.034 7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.345 3.236 4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.861 2.489 5.034 1.00 0.00 H new ATOM 1331 N THR A 85 -3.483 1.274 5.552 1.00 0.00 N ATOM 1332 CA THR A 85 -4.321 0.295 6.235 1.00 0.00 C ATOM 1333 C THR A 85 -4.556 -0.927 5.354 1.00 0.00 C ATOM 1334 O THR A 85 -4.370 -0.871 4.141 1.00 0.00 O ATOM 1335 CB THR A 85 -5.660 0.924 6.624 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.454 1.161 5.476 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.513 2.237 7.362 1.00 0.00 C ATOM 0 H THR A 85 -3.652 1.345 4.549 1.00 0.00 H new ATOM 0 HA THR A 85 -3.802 -0.026 7.138 1.00 0.00 H new ATOM 0 HB THR A 85 -6.135 0.204 7.290 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.899 1.552 4.769 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.500 2.629 7.608 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.947 2.077 8.280 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.986 2.952 6.731 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.965 -2.031 5.971 1.00 0.00 N ATOM 1346 CA VAL A 86 -5.223 -3.267 5.238 1.00 0.00 C ATOM 1347 C VAL A 86 -6.720 -3.581 5.208 1.00 0.00 C ATOM 1348 O VAL A 86 -7.302 -3.969 6.221 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.464 -4.456 5.865 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.911 -4.684 7.302 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.653 -5.715 5.030 1.00 0.00 C ATOM 0 H VAL A 86 -5.125 -2.096 6.976 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.867 -3.119 4.218 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.401 -4.215 5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.363 -5.527 7.724 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.711 -3.789 7.892 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.979 -4.900 7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.110 -6.541 5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.713 -5.962 4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.271 -5.545 4.023 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.336 -3.409 4.042 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.765 -3.674 3.887 1.00 0.00 C ATOM 1363 C ILE A 87 -9.011 -4.887 2.998 1.00 0.00 C ATOM 1364 O ILE A 87 -8.150 -5.280 2.212 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.506 -2.466 3.276 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.935 -2.125 1.897 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.423 -1.262 4.200 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.910 -2.362 0.764 1.00 0.00 C ATOM 0 H ILE A 87 -6.871 -3.088 3.193 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.150 -3.867 4.888 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.556 -2.734 3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.628 -1.079 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.039 -2.722 1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.952 -0.421 3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.880 -1.507 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.378 -0.993 4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.438 -2.099 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.199 -3.413 0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.796 -1.745 0.911 1.00 0.00 H new ATOM 1380 N GLU A 88 -10.202 -5.465 3.115 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.573 -6.619 2.311 1.00 0.00 C ATOM 1382 C GLU A 88 -11.574 -6.208 1.238 1.00 0.00 C ATOM 1383 O GLU A 88 -12.764 -6.511 1.330 1.00 0.00 O ATOM 1384 CB GLU A 88 -11.164 -7.721 3.188 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.899 -9.117 2.654 1.00 0.00 C ATOM 1386 CD GLU A 88 -11.180 -10.198 3.679 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -11.937 -9.928 4.635 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -10.644 -11.315 3.525 1.00 0.00 O ATOM 0 H GLU A 88 -10.926 -5.151 3.761 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.675 -7.008 1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.749 -7.639 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.240 -7.570 3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.517 -9.288 1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.860 -9.188 2.333 1.00 0.00 H new ATOM 1395 N HIS A 89 -11.079 -5.505 0.226 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.914 -5.029 -0.870 1.00 0.00 C ATOM 1397 C HIS A 89 -12.792 -6.146 -1.435 1.00 0.00 C ATOM 1398 O HIS A 89 -12.341 -7.280 -1.590 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.033 -4.451 -1.975 1.00 0.00 C ATOM 1400 CG HIS A 89 -11.657 -3.303 -2.699 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.129 -3.400 -3.990 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -11.894 -2.029 -2.307 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -12.631 -2.236 -4.362 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -12.501 -1.386 -3.359 1.00 0.00 N ATOM 0 H HIS A 89 -10.095 -5.250 0.142 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.572 -4.253 -0.480 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.088 -4.125 -1.541 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.800 -5.238 -2.692 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -11.651 -1.598 -1.347 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.073 -2.017 -5.323 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -12.802 -0.411 -3.365 1.00 0.00 H new ATOM 1413 N PRO A 90 -14.061 -5.836 -1.755 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.996 -6.817 -2.310 1.00 0.00 C ATOM 1415 C PRO A 90 -14.754 -7.064 -3.796 1.00 0.00 C ATOM 1416 O PRO A 90 -15.169 -8.086 -4.343 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.355 -6.157 -2.092 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.074 -4.696 -2.157 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.684 -4.505 -1.607 1.00 0.00 C ATOM 0 HA PRO A 90 -14.899 -7.795 -1.840 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -17.070 -6.458 -2.858 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.782 -6.437 -1.129 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.139 -4.333 -3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.803 -4.134 -1.573 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.136 -3.743 -2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.706 -4.187 -0.565 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.076 -6.120 -4.443 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.772 -6.228 -5.865 1.00 0.00 C ATOM 1429 C GLU A 91 -12.560 -7.126 -6.095 1.00 0.00 C ATOM 1430 O GLU A 91 -12.386 -7.687 -7.177 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.515 -4.839 -6.452 1.00 0.00 C ATOM 1432 CG GLU A 91 -14.421 -4.491 -7.621 1.00 0.00 C ATOM 1433 CD GLU A 91 -13.838 -4.906 -8.957 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -13.180 -5.967 -9.013 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -14.038 -4.172 -9.946 1.00 0.00 O ATOM 0 H GLU A 91 -13.726 -5.269 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.630 -6.676 -6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.646 -4.093 -5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.477 -4.779 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.387 -4.977 -7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.603 -3.416 -7.627 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.718 -7.250 -5.072 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.516 -8.071 -5.167 1.00 0.00 C ATOM 1444 C TYR A 92 -10.534 -9.194 -4.132 1.00 0.00 C ATOM 1445 O TYR A 92 -10.328 -10.360 -4.467 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.273 -7.197 -4.986 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.430 -5.815 -5.581 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -9.964 -5.647 -6.852 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.056 -4.682 -4.871 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.120 -4.389 -7.399 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -9.211 -3.419 -5.412 1.00 0.00 C ATOM 1452 CZ TYR A 92 -9.742 -3.278 -6.675 1.00 0.00 C ATOM 1453 OH TYR A 92 -9.897 -2.022 -7.217 1.00 0.00 O ATOM 0 H TYR A 92 -11.846 -6.793 -4.169 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.489 -8.529 -6.156 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.052 -7.106 -3.923 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.418 -7.691 -5.448 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.262 -6.515 -7.422 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.638 -4.789 -3.881 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.536 -4.276 -8.389 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.917 -2.547 -4.847 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.583 -1.349 -6.578 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.791 -8.838 -2.877 1.00 0.00 N ATOM 1464 CA GLY A 93 -10.841 -9.835 -1.821 1.00 0.00 C ATOM 1465 C GLY A 93 -9.798 -9.619 -0.741 1.00 0.00 C ATOM 1466 O GLY A 93 -9.910 -10.174 0.351 1.00 0.00 O ATOM 0 H GLY A 93 -10.965 -7.880 -2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.832 -9.824 -1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.702 -10.824 -2.258 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.780 -8.817 -1.039 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.721 -8.544 -0.070 1.00 0.00 C ATOM 1472 C GLU A 94 -6.666 -7.612 -0.659 1.00 0.00 C ATOM 1473 O GLU A 94 -5.857 -8.021 -1.491 1.00 0.00 O ATOM 1474 CB GLU A 94 -7.068 -9.851 0.386 1.00 0.00 C ATOM 1475 CG GLU A 94 -7.028 -10.017 1.896 1.00 0.00 C ATOM 1476 CD GLU A 94 -5.828 -10.817 2.363 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -4.755 -10.698 1.736 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -5.963 -11.563 3.356 1.00 0.00 O ATOM 0 H GLU A 94 -8.665 -8.347 -1.937 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.172 -8.051 0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.611 -10.690 -0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.051 -9.894 -0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.009 -9.033 2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.941 -10.511 2.228 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.681 -6.357 -0.220 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.726 -5.366 -0.703 1.00 0.00 C ATOM 1487 C VAL A 95 -5.473 -4.292 0.343 1.00 0.00 C ATOM 1488 O VAL A 95 -6.344 -3.986 1.155 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.228 -4.680 -1.985 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.205 -5.645 -3.158 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.625 -4.118 -1.771 1.00 0.00 C ATOM 0 H VAL A 95 -7.344 -6.003 0.469 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.801 -5.903 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.558 -3.853 -2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.564 -5.138 -4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.185 -5.993 -3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.849 -6.497 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.967 -3.635 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.307 -4.928 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.603 -3.388 -0.962 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.284 -3.705 0.307 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.937 -2.645 1.242 1.00 0.00 C ATOM 1503 C ILE A 96 -4.584 -1.339 0.793 1.00 0.00 C ATOM 1504 O ILE A 96 -4.939 -1.190 -0.374 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.401 -2.487 1.367 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.882 -3.367 2.513 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.993 -1.028 1.567 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.932 -2.708 3.877 1.00 0.00 C ATOM 0 H ILE A 96 -3.547 -3.944 -0.357 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.316 -2.910 2.229 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.947 -2.815 0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.468 -4.285 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.852 -3.653 2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.908 -0.962 1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.329 -0.436 0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.451 -0.644 2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.548 -3.398 4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.322 -1.805 3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.963 -2.447 4.117 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.754 -0.403 1.718 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.377 0.873 1.392 1.00 0.00 C ATOM 1522 C GLN A 97 -4.568 2.046 1.939 1.00 0.00 C ATOM 1523 O GLN A 97 -4.787 2.493 3.064 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.803 0.923 1.950 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.860 1.241 0.905 1.00 0.00 C ATOM 1526 CD GLN A 97 -9.207 1.565 1.521 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.288 2.017 2.663 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -10.274 1.333 0.765 1.00 0.00 N ATOM 0 H GLN A 97 -4.472 -0.502 2.693 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.408 0.959 0.306 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.037 -0.037 2.410 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.848 1.674 2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.527 2.086 0.302 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.967 0.391 0.231 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.160 0.958 -0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.207 1.530 1.126 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.644 2.551 1.129 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.820 3.685 1.526 1.00 0.00 C ATOM 1539 C LEU A 98 -3.613 4.978 1.394 1.00 0.00 C ATOM 1540 O LEU A 98 -4.589 5.040 0.648 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.561 3.756 0.665 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.660 2.522 0.735 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.186 2.405 -0.524 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.220 2.577 1.977 1.00 0.00 C ATOM 0 H LEU A 98 -3.447 2.193 0.194 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.525 3.553 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.857 3.913 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.981 4.628 0.967 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.291 1.635 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.820 1.521 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.466 2.317 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.810 3.293 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.855 1.692 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.844 3.470 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.408 2.608 2.867 1.00 0.00 H new ATOM 1556 N GLN A 99 -3.194 6.006 2.118 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.877 7.293 2.071 1.00 0.00 C ATOM 1558 C GLN A 99 -3.232 8.214 1.041 1.00 0.00 C ATOM 1559 O GLN A 99 -2.023 8.160 0.819 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.864 7.955 3.450 1.00 0.00 C ATOM 1561 CG GLN A 99 -5.175 7.811 4.204 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.844 9.147 4.474 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -6.167 9.473 5.616 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -6.056 9.925 3.420 1.00 0.00 N ATOM 0 H GLN A 99 -2.388 5.976 2.743 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.911 7.116 1.774 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.062 7.520 4.046 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.636 9.014 3.334 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.853 7.179 3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.991 7.303 5.151 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.772 9.614 2.491 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.503 10.834 3.539 1.00 0.00 H new ATOM 1573 N GLY A 100 -4.045 9.054 0.412 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.533 9.971 -0.589 1.00 0.00 C ATOM 1575 C GLY A 100 -3.082 9.254 -1.846 1.00 0.00 C ATOM 1576 O GLY A 100 -3.134 8.026 -1.920 1.00 0.00 O ATOM 0 H GLY A 100 -5.050 9.117 0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.306 10.696 -0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.696 10.531 -0.172 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.637 10.020 -2.837 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.175 9.444 -4.094 1.00 0.00 C ATOM 1582 C ASP A 101 -0.758 8.900 -3.952 1.00 0.00 C ATOM 1583 O ASP A 101 0.220 9.636 -4.090 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.229 10.486 -5.213 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.490 11.759 -4.851 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -1.692 12.265 -3.727 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.710 12.253 -5.693 1.00 0.00 O ATOM 0 H ASP A 101 -2.587 11.038 -2.794 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.838 8.618 -4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.797 10.064 -6.121 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.269 10.723 -5.435 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.657 7.605 -3.675 1.00 0.00 N ATOM 1593 CA GLN A 102 0.632 6.948 -3.512 1.00 0.00 C ATOM 1594 C GLN A 102 0.949 6.068 -4.717 1.00 0.00 C ATOM 1595 O GLN A 102 1.919 5.316 -4.706 1.00 0.00 O ATOM 1596 CB GLN A 102 0.629 6.099 -2.237 1.00 0.00 C ATOM 1597 CG GLN A 102 1.246 6.789 -1.029 1.00 0.00 C ATOM 1598 CD GLN A 102 0.833 8.242 -0.902 1.00 0.00 C ATOM 1599 OE1 GLN A 102 -0.439 8.520 -1.158 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 1.648 9.105 -0.576 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.460 6.986 -3.558 1.00 0.00 H new ATOM 0 HA GLN A 102 1.401 7.717 -3.433 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.399 5.824 -1.999 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.171 5.173 -2.429 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.956 6.254 -0.125 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.332 6.731 -1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.617 8.847 -0.388 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.355 10.078 -0.494 1.00 0.00 H new ATOM 1609 N ARG A 103 0.124 6.163 -5.756 1.00 0.00 N ATOM 1610 CA ARG A 103 0.321 5.372 -6.965 1.00 0.00 C ATOM 1611 C ARG A 103 1.766 5.455 -7.449 1.00 0.00 C ATOM 1612 O ARG A 103 2.271 4.535 -8.092 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.629 5.850 -8.064 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.371 7.282 -8.507 1.00 0.00 C ATOM 1615 CD ARG A 103 0.077 7.349 -9.960 1.00 0.00 C ATOM 1616 NE ARG A 103 -0.991 7.818 -10.840 1.00 0.00 N ATOM 1617 CZ ARG A 103 -1.343 9.095 -10.964 1.00 0.00 C ATOM 1618 NH1 ARG A 103 -0.716 10.034 -10.265 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -2.324 9.436 -11.787 1.00 0.00 N ATOM 0 H ARG A 103 -0.687 6.780 -5.784 1.00 0.00 H new ATOM 0 HA ARG A 103 0.103 4.331 -6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.537 5.189 -8.926 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.656 5.768 -7.707 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.278 7.872 -8.378 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.392 7.728 -7.870 1.00 0.00 H new ATOM 0 HD2 ARG A 103 0.935 8.015 -10.045 1.00 0.00 H new ATOM 0 HD3 ARG A 103 0.407 6.362 -10.284 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.497 7.125 -11.392 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.039 9.778 -9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.990 11.012 -10.364 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.810 8.719 -12.326 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.593 10.415 -11.881 1.00 0.00 H new ATOM 1633 N LYS A 104 2.426 6.565 -7.133 1.00 0.00 N ATOM 1634 CA LYS A 104 3.812 6.772 -7.533 1.00 0.00 C ATOM 1635 C LYS A 104 4.775 6.317 -6.439 1.00 0.00 C ATOM 1636 O LYS A 104 5.930 5.991 -6.715 1.00 0.00 O ATOM 1637 CB LYS A 104 4.048 8.248 -7.858 1.00 0.00 C ATOM 1638 CG LYS A 104 5.452 8.547 -8.360 1.00 0.00 C ATOM 1639 CD LYS A 104 5.968 9.869 -7.815 1.00 0.00 C ATOM 1640 CE LYS A 104 6.213 9.797 -6.317 1.00 0.00 C ATOM 1641 NZ LYS A 104 6.943 10.995 -5.816 1.00 0.00 N ATOM 0 H LYS A 104 2.022 7.335 -6.600 1.00 0.00 H new ATOM 0 HA LYS A 104 4.002 6.172 -8.423 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.327 8.565 -8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.857 8.843 -6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.125 7.742 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.451 8.577 -9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.894 10.137 -8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.247 10.658 -8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.259 9.709 -5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.786 8.899 -6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.091 10.908 -4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.864 11.065 -6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.385 11.850 -6.014 1.00 0.00 H new ATOM 1655 N ASN A 105 4.300 6.301 -5.196 1.00 0.00 N ATOM 1656 CA ASN A 105 5.132 5.889 -4.068 1.00 0.00 C ATOM 1657 C ASN A 105 4.978 4.397 -3.782 1.00 0.00 C ATOM 1658 O ASN A 105 5.942 3.728 -3.409 1.00 0.00 O ATOM 1659 CB ASN A 105 4.772 6.698 -2.822 1.00 0.00 C ATOM 1660 CG ASN A 105 5.335 8.105 -2.863 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.540 8.309 -2.725 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.460 9.086 -3.056 1.00 0.00 N ATOM 0 H ASN A 105 3.348 6.567 -4.945 1.00 0.00 H new ATOM 0 HA ASN A 105 6.172 6.079 -4.332 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.687 6.746 -2.725 1.00 0.00 H new ATOM 0 HB3 ASN A 105 5.149 6.185 -1.937 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.779 10.054 -3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.469 8.871 -3.166 1.00 0.00 H new ATOM 1669 N ILE A 106 3.765 3.882 -3.954 1.00 0.00 N ATOM 1670 CA ILE A 106 3.498 2.472 -3.706 1.00 0.00 C ATOM 1671 C ILE A 106 4.287 1.588 -4.667 1.00 0.00 C ATOM 1672 O ILE A 106 4.992 0.674 -4.237 1.00 0.00 O ATOM 1673 CB ILE A 106 1.992 2.150 -3.804 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.721 0.732 -3.302 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.488 2.323 -5.230 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.235 0.478 -1.900 1.00 0.00 C ATOM 0 H ILE A 106 2.955 4.419 -4.263 1.00 0.00 H new ATOM 0 HA ILE A 106 3.823 2.260 -2.687 1.00 0.00 H new ATOM 0 HB ILE A 106 1.449 2.853 -3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.647 0.546 -3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.183 0.019 -3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.424 2.090 -5.271 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.646 3.353 -5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.033 1.650 -5.892 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.008 -0.548 -1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.314 0.632 -1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.754 1.167 -1.206 1.00 0.00 H new ATOM 1688 N CYS A 107 4.198 1.876 -5.964 1.00 0.00 N ATOM 1689 CA CYS A 107 4.942 1.110 -6.958 1.00 0.00 C ATOM 1690 C CYS A 107 6.427 1.184 -6.633 1.00 0.00 C ATOM 1691 O CYS A 107 7.174 0.221 -6.808 1.00 0.00 O ATOM 1692 CB CYS A 107 4.678 1.654 -8.364 1.00 0.00 C ATOM 1693 SG CYS A 107 3.737 0.530 -9.422 1.00 0.00 S ATOM 0 H CYS A 107 3.624 2.627 -6.347 1.00 0.00 H new ATOM 0 HA CYS A 107 4.614 0.071 -6.931 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.138 2.597 -8.282 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.632 1.874 -8.843 1.00 0.00 H new ATOM 0 HG CYS A 107 3.742 0.977 -10.643 1.00 0.00 H new ATOM 1699 N GLN A 108 6.830 2.343 -6.125 1.00 0.00 N ATOM 1700 CA GLN A 108 8.208 2.581 -5.729 1.00 0.00 C ATOM 1701 C GLN A 108 8.507 1.818 -4.440 1.00 0.00 C ATOM 1702 O GLN A 108 9.632 1.376 -4.212 1.00 0.00 O ATOM 1703 CB GLN A 108 8.431 4.094 -5.553 1.00 0.00 C ATOM 1704 CG GLN A 108 9.521 4.479 -4.561 1.00 0.00 C ATOM 1705 CD GLN A 108 10.841 4.794 -5.236 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.596 3.755 -5.572 1.00 0.00 O flip ATOM 1707 NE2 GLN A 108 11.178 5.958 -5.454 1.00 0.00 N flip ATOM 0 H GLN A 108 6.211 3.140 -5.977 1.00 0.00 H new ATOM 0 HA GLN A 108 8.890 2.222 -6.499 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.678 4.524 -6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.493 4.548 -5.232 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.195 5.347 -3.987 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.666 3.664 -3.852 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.566 6.726 -5.179 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.069 6.154 -5.910 1.00 0.00 H new ATOM 1716 N PHE A 109 7.482 1.662 -3.606 1.00 0.00 N ATOM 1717 CA PHE A 109 7.614 0.949 -2.343 1.00 0.00 C ATOM 1718 C PHE A 109 7.780 -0.546 -2.588 1.00 0.00 C ATOM 1719 O PHE A 109 8.731 -1.163 -2.107 1.00 0.00 O ATOM 1720 CB PHE A 109 6.381 1.197 -1.471 1.00 0.00 C ATOM 1721 CG PHE A 109 6.426 0.498 -0.143 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.321 0.901 0.835 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.572 -0.559 0.129 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.363 0.263 2.060 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.610 -1.202 1.351 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.507 -0.790 2.318 1.00 0.00 C ATOM 0 H PHE A 109 6.545 2.023 -3.786 1.00 0.00 H new ATOM 0 HA PHE A 109 8.500 1.320 -1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.276 2.269 -1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.493 0.871 -2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.993 1.723 0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.868 -0.884 -0.623 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.064 0.587 2.815 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.940 -2.025 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.539 -1.291 3.274 1.00 0.00 H new ATOM 1736 N LEU A 110 6.851 -1.121 -3.347 1.00 0.00 N ATOM 1737 CA LEU A 110 6.891 -2.543 -3.665 1.00 0.00 C ATOM 1738 C LEU A 110 8.223 -2.910 -4.311 1.00 0.00 C ATOM 1739 O LEU A 110 8.685 -4.044 -4.207 1.00 0.00 O ATOM 1740 CB LEU A 110 5.732 -2.912 -4.597 1.00 0.00 C ATOM 1741 CG LEU A 110 4.388 -3.169 -3.905 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.134 -2.138 -2.816 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.261 -3.153 -4.924 1.00 0.00 C ATOM 0 H LEU A 110 6.060 -0.622 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 110 6.789 -3.106 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.601 -2.108 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.009 -3.805 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 110 4.425 -4.153 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.175 -2.341 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.928 -2.192 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.117 -1.141 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.312 -3.337 -4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.229 -2.181 -5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.433 -3.930 -5.669 1.00 0.00 H new ATOM 1755 N VAL A 111 8.839 -1.935 -4.971 1.00 0.00 N ATOM 1756 CA VAL A 111 10.121 -2.150 -5.625 1.00 0.00 C ATOM 1757 C VAL A 111 11.270 -1.842 -4.669 1.00 0.00 C ATOM 1758 O VAL A 111 12.345 -2.436 -4.760 1.00 0.00 O ATOM 1759 CB VAL A 111 10.260 -1.274 -6.884 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.587 -1.536 -7.582 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.095 -1.517 -7.832 1.00 0.00 C ATOM 0 H VAL A 111 8.470 -0.989 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 111 10.164 -3.198 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 111 10.242 -0.228 -6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.663 -0.906 -8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.407 -1.306 -6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.643 -2.584 -7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.209 -0.890 -8.716 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.081 -2.565 -8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.160 -1.270 -7.330 1.00 0.00 H new ATOM 1771 N GLU A 112 11.031 -0.913 -3.749 1.00 0.00 N ATOM 1772 CA GLU A 112 12.040 -0.525 -2.770 1.00 0.00 C ATOM 1773 C GLU A 112 12.220 -1.613 -1.717 1.00 0.00 C ATOM 1774 O GLU A 112 13.335 -2.066 -1.459 1.00 0.00 O ATOM 1775 CB GLU A 112 11.645 0.787 -2.091 1.00 0.00 C ATOM 1776 CG GLU A 112 11.940 2.021 -2.926 1.00 0.00 C ATOM 1777 CD GLU A 112 13.179 2.759 -2.458 1.00 0.00 C ATOM 1778 OE1 GLU A 112 14.265 2.141 -2.434 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.064 3.954 -2.117 1.00 0.00 O ATOM 0 H GLU A 112 10.146 -0.414 -3.661 1.00 0.00 H new ATOM 0 HA GLU A 112 12.985 -0.387 -3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.580 0.761 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.173 0.867 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.068 1.728 -3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.084 2.695 -2.887 1.00 0.00 H new ATOM 1786 N ILE A 113 11.112 -2.024 -1.111 1.00 0.00 N ATOM 1787 CA ILE A 113 11.137 -3.055 -0.081 1.00 0.00 C ATOM 1788 C ILE A 113 11.306 -4.449 -0.684 1.00 0.00 C ATOM 1789 O ILE A 113 11.588 -5.412 0.029 1.00 0.00 O ATOM 1790 CB ILE A 113 9.846 -3.026 0.766 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.663 -3.592 -0.029 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.548 -1.606 1.224 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.349 -3.554 0.721 1.00 0.00 C ATOM 0 H ILE A 113 10.183 -1.657 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 113 11.994 -2.840 0.557 1.00 0.00 H new ATOM 0 HB ILE A 113 9.997 -3.652 1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.558 -3.029 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.883 -4.623 -0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.635 -1.600 1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.378 -1.236 1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.417 -0.963 0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.560 -3.971 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.435 -4.141 1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.104 -2.522 0.974 1.00 0.00 H new ATOM 1805 N GLY A 114 11.115 -4.555 -1.996 1.00 0.00 N ATOM 1806 CA GLY A 114 11.232 -5.841 -2.657 1.00 0.00 C ATOM 1807 C GLY A 114 9.946 -6.636 -2.561 1.00 0.00 C ATOM 1808 O GLY A 114 9.964 -7.866 -2.532 1.00 0.00 O ATOM 0 H GLY A 114 10.882 -3.775 -2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.490 -5.690 -3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.046 -6.409 -2.207 1.00 0.00 H new ATOM 1812 N LEU A 115 8.828 -5.919 -2.506 1.00 0.00 N ATOM 1813 CA LEU A 115 7.514 -6.542 -2.405 1.00 0.00 C ATOM 1814 C LEU A 115 7.108 -7.181 -3.727 1.00 0.00 C ATOM 1815 O LEU A 115 6.991 -8.402 -3.831 1.00 0.00 O ATOM 1816 CB LEU A 115 6.473 -5.500 -1.987 1.00 0.00 C ATOM 1817 CG LEU A 115 5.322 -6.033 -1.130 1.00 0.00 C ATOM 1818 CD1 LEU A 115 5.856 -6.835 0.046 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.444 -4.890 -0.645 1.00 0.00 C ATOM 0 H LEU A 115 8.807 -4.899 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 115 7.565 -7.326 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.978 -4.707 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.055 -5.047 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 115 4.714 -6.695 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.022 -7.205 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.440 -7.678 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.489 -6.198 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.631 -5.288 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.041 -4.201 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.030 -4.360 -1.503 1.00 0.00 H new ATOM 1831 N ALA A 116 6.891 -6.345 -4.735 1.00 0.00 N ATOM 1832 CA ALA A 116 6.494 -6.823 -6.052 1.00 0.00 C ATOM 1833 C ALA A 116 7.635 -6.679 -7.054 1.00 0.00 C ATOM 1834 O ALA A 116 8.649 -6.043 -6.767 1.00 0.00 O ATOM 1835 CB ALA A 116 5.267 -6.067 -6.537 1.00 0.00 C ATOM 0 H ALA A 116 6.984 -5.332 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 116 6.248 -7.882 -5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.980 -6.433 -7.523 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.445 -6.222 -5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.496 -5.003 -6.598 1.00 0.00 H new ATOM 1841 N LYS A 117 7.459 -7.269 -8.232 1.00 0.00 N ATOM 1842 CA LYS A 117 8.473 -7.202 -9.278 1.00 0.00 C ATOM 1843 C LYS A 117 8.236 -5.993 -10.177 1.00 0.00 C ATOM 1844 O LYS A 117 7.103 -5.537 -10.333 1.00 0.00 O ATOM 1845 CB LYS A 117 8.463 -8.486 -10.110 1.00 0.00 C ATOM 1846 CG LYS A 117 9.675 -9.372 -9.874 1.00 0.00 C ATOM 1847 CD LYS A 117 9.829 -9.727 -8.403 1.00 0.00 C ATOM 1848 CE LYS A 117 10.869 -8.850 -7.723 1.00 0.00 C ATOM 1849 NZ LYS A 117 12.064 -9.631 -7.301 1.00 0.00 N ATOM 0 H LYS A 117 6.625 -7.798 -8.486 1.00 0.00 H new ATOM 0 HA LYS A 117 9.449 -7.097 -8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.560 -9.051 -9.880 1.00 0.00 H new ATOM 0 HB3 LYS A 117 8.415 -8.224 -11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.579 -10.285 -10.461 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.573 -8.862 -10.222 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.870 -9.613 -7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.117 -10.774 -8.309 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.176 -8.056 -8.404 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.424 -8.368 -6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 12.749 -8.997 -6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 11.775 -10.372 -6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.504 -10.070 -8.135 1.00 0.00 H new ATOM 1863 N ASP A 118 9.308 -5.478 -10.770 1.00 0.00 N ATOM 1864 CA ASP A 118 9.208 -4.323 -11.655 1.00 0.00 C ATOM 1865 C ASP A 118 8.215 -4.591 -12.781 1.00 0.00 C ATOM 1866 O ASP A 118 7.588 -3.669 -13.303 1.00 0.00 O ATOM 1867 CB ASP A 118 10.578 -3.974 -12.238 1.00 0.00 C ATOM 1868 CG ASP A 118 11.154 -5.095 -13.080 1.00 0.00 C ATOM 1869 OD1 ASP A 118 11.623 -6.094 -12.496 1.00 0.00 O ATOM 1870 OD2 ASP A 118 11.135 -4.974 -14.323 1.00 0.00 O ATOM 0 H ASP A 118 10.254 -5.841 -10.654 1.00 0.00 H new ATOM 0 HA ASP A 118 8.850 -3.477 -11.068 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.491 -3.074 -12.847 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.267 -3.744 -11.425 1.00 0.00 H new ATOM 1875 N ASP A 119 8.071 -5.861 -13.145 1.00 0.00 N ATOM 1876 CA ASP A 119 7.146 -6.254 -14.200 1.00 0.00 C ATOM 1877 C ASP A 119 5.722 -6.304 -13.661 1.00 0.00 C ATOM 1878 O ASP A 119 4.760 -6.049 -14.385 1.00 0.00 O ATOM 1879 CB ASP A 119 7.539 -7.618 -14.770 1.00 0.00 C ATOM 1880 CG ASP A 119 7.169 -7.761 -16.233 1.00 0.00 C ATOM 1881 OD1 ASP A 119 6.223 -7.074 -16.677 1.00 0.00 O ATOM 1882 OD2 ASP A 119 7.823 -8.560 -16.936 1.00 0.00 O ATOM 0 H ASP A 119 8.584 -6.636 -12.724 1.00 0.00 H new ATOM 0 HA ASP A 119 7.195 -5.513 -14.998 1.00 0.00 H new ATOM 0 HB2 ASP A 119 8.613 -7.761 -14.654 1.00 0.00 H new ATOM 0 HB3 ASP A 119 7.049 -8.404 -14.195 1.00 0.00 H new ATOM 1887 N GLN A 120 5.601 -6.629 -12.378 1.00 0.00 N ATOM 1888 CA GLN A 120 4.300 -6.709 -11.724 1.00 0.00 C ATOM 1889 C GLN A 120 3.726 -5.318 -11.470 1.00 0.00 C ATOM 1890 O GLN A 120 2.539 -5.169 -11.187 1.00 0.00 O ATOM 1891 CB GLN A 120 4.422 -7.457 -10.398 1.00 0.00 C ATOM 1892 CG GLN A 120 4.614 -8.957 -10.553 1.00 0.00 C ATOM 1893 CD GLN A 120 4.332 -9.707 -9.266 1.00 0.00 C ATOM 1894 OE1 GLN A 120 3.157 -9.474 -8.692 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 5.159 -10.486 -8.794 1.00 0.00 N flip ATOM 0 H GLN A 120 6.391 -6.842 -11.769 1.00 0.00 H new ATOM 0 HA GLN A 120 3.625 -7.249 -12.388 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.263 -7.049 -9.838 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.526 -7.275 -9.805 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.955 -9.327 -11.339 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.636 -9.160 -10.873 1.00 0.00 H new ATOM 0 HE21 GLN A 120 6.049 -10.634 -9.269 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.954 -10.984 -7.927 1.00 0.00 H new ATOM 1904 N LEU A 121 4.580 -4.303 -11.567 1.00 0.00 N ATOM 1905 CA LEU A 121 4.161 -2.924 -11.338 1.00 0.00 C ATOM 1906 C LEU A 121 2.939 -2.573 -12.177 1.00 0.00 C ATOM 1907 O LEU A 121 3.058 -2.153 -13.328 1.00 0.00 O ATOM 1908 CB LEU A 121 5.306 -1.960 -11.656 1.00 0.00 C ATOM 1909 CG LEU A 121 6.504 -2.058 -10.713 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.697 -1.308 -11.285 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.144 -1.520 -9.335 1.00 0.00 C ATOM 0 H LEU A 121 5.567 -4.410 -11.803 1.00 0.00 H new ATOM 0 HA LEU A 121 3.893 -2.827 -10.286 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.647 -2.146 -12.675 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.922 -0.940 -11.629 1.00 0.00 H new ATOM 0 HG LEU A 121 6.776 -3.108 -10.611 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.541 -1.389 -10.599 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.970 -1.739 -12.248 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.437 -0.258 -11.418 1.00 0.00 H new ATOM 0 HD21 LEU A 121 7.009 -1.598 -8.677 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.845 -0.475 -9.419 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.320 -2.101 -8.921 1.00 0.00 H new ATOM 1923 N LYS A 122 1.763 -2.747 -11.587 1.00 0.00 N ATOM 1924 CA LYS A 122 0.513 -2.451 -12.271 1.00 0.00 C ATOM 1925 C LYS A 122 -0.181 -1.253 -11.631 1.00 0.00 C ATOM 1926 O LYS A 122 -1.175 -1.404 -10.920 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.405 -3.673 -12.243 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.341 -4.507 -13.511 1.00 0.00 C ATOM 1929 CD LYS A 122 -0.968 -3.777 -14.688 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.172 -3.993 -15.966 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.406 -2.906 -16.956 1.00 0.00 N ATOM 0 H LYS A 122 1.650 -3.093 -10.634 1.00 0.00 H new ATOM 0 HA LYS A 122 0.738 -2.203 -13.308 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.138 -4.299 -11.392 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.432 -3.343 -12.086 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.698 -4.744 -13.740 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.857 -5.454 -13.352 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.990 -4.127 -14.831 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.024 -2.711 -14.468 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.890 -4.044 -15.728 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.447 -4.951 -16.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.154 -3.090 -17.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.416 -2.873 -17.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.120 -1.994 -16.545 1.00 0.00 H new ATOM 1945 N VAL A 123 0.355 -0.063 -11.883 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.207 1.163 -11.330 1.00 0.00 C ATOM 1947 C VAL A 123 -1.231 1.778 -12.278 1.00 0.00 C ATOM 1948 O VAL A 123 -0.914 2.105 -13.421 1.00 0.00 O ATOM 1949 CB VAL A 123 0.893 2.201 -11.035 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.625 2.589 -12.311 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.302 3.427 -10.358 1.00 0.00 C ATOM 0 H VAL A 123 1.179 0.078 -12.468 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.700 0.891 -10.397 1.00 0.00 H new ATOM 0 HB VAL A 123 1.616 1.750 -10.355 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.397 3.323 -12.079 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.086 1.704 -12.750 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.917 3.019 -13.020 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.094 4.149 -10.157 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.444 3.879 -11.011 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.168 3.133 -9.419 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.461 1.930 -11.797 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.529 2.502 -12.609 1.00 0.00 C ATOM 1963 C HIS A 124 -4.108 3.763 -11.969 1.00 0.00 C ATOM 1964 O HIS A 124 -4.732 4.579 -12.647 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.628 1.466 -12.828 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.098 0.144 -13.286 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.173 -0.283 -14.594 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.461 -0.841 -12.606 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.605 -1.471 -14.700 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.165 -1.831 -13.510 1.00 0.00 N ATOM 0 H HIS A 124 -2.742 1.666 -10.853 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.105 2.786 -13.572 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.181 1.328 -11.899 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.335 1.844 -13.566 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -4.600 0.237 -15.361 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.230 -0.846 -11.551 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.516 -2.050 -15.608 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.898 3.921 -10.664 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.409 5.090 -9.969 1.00 0.00 C ATOM 1981 C GLY A 125 -5.895 5.296 -10.190 1.00 0.00 C ATOM 1982 O GLY A 125 -6.716 4.518 -9.701 1.00 0.00 O ATOM 0 H GLY A 125 -3.385 3.263 -10.078 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.215 4.987 -8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.869 5.974 -10.307 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.243 6.343 -10.927 1.00 0.00 N ATOM 1987 CA PHE A 126 -7.642 6.645 -11.209 1.00 0.00 C ATOM 1988 C PHE A 126 -7.786 7.383 -12.537 1.00 0.00 C ATOM 1989 O PHE A 126 -6.777 7.494 -13.263 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.252 7.477 -10.075 1.00 0.00 C ATOM 1991 CG PHE A 126 -7.348 8.554 -9.536 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -6.349 9.115 -10.319 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -7.504 9.007 -8.234 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -5.525 10.104 -9.814 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -6.683 9.996 -7.725 1.00 0.00 C ATOM 1996 CZ PHE A 126 -5.693 10.544 -8.516 1.00 0.00 C ATOM 1997 OXT PHE A 126 -8.908 7.844 -12.837 1.00 0.00 O ATOM 0 H PHE A 126 -5.578 6.997 -11.340 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.180 5.700 -11.281 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.172 7.938 -10.434 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.528 6.809 -9.259 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.213 8.775 -11.335 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -8.276 8.582 -7.610 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -4.751 10.532 -10.434 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -6.816 10.340 -6.710 1.00 0.00 H new ATOM 0 HZ PHE A 126 -5.050 11.316 -8.120 1.00 0.00 H new TER 2007 PHE A 126