USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 872 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 Single : A 1 ASP N :NH3+ 142:sc= 0.0741 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.52) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.425 X(o=-0.42,f=-0.32) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.64) USER MOD Single : A 27 ASN : amide:sc= -0.173 K(o=-0.17,f=-2.5!) USER MOD Single : A 30 THR OG1 : rot -69:sc= 0.621 USER MOD Single : A 33 MET CE :methyl -170:sc= -9.34! (180deg=-9.76!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -2.8 K(o=-2.8,f=-4.9!) USER MOD Single : A 41 GLN : amide:sc= -0.452 K(o=-0.45,f=-2.2!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -3.45 K(o=-3.5,f=-4.9) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.381 K(o=-0.38,f=-3.1!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -150:sc= -0.689 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -2.77 K(o=-2.8,f=-4.4!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 140:sc= 0.103 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.0027 X(o=0.0027,f=-0.29) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.208 K(o=-0.21,f=-1) USER MOD Single : A 111 HIS : no HD1:sc= -0.044 X(o=-0.044,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -18.663 -20.996 -33.845 1.00 35.11 N ATOM 2 CA ASP A 1 -18.328 -21.910 -32.759 1.00 73.33 C ATOM 3 C ASP A 1 -17.156 -21.377 -31.942 1.00 65.04 C ATOM 4 O ASP A 1 -16.375 -20.553 -32.421 1.00 53.22 O ATOM 5 CB ASP A 1 -17.991 -23.295 -33.315 1.00 40.54 C ATOM 6 CG ASP A 1 -17.789 -24.324 -32.221 1.00 63.45 C ATOM 7 OD1 ASP A 1 -18.798 -24.816 -31.676 1.00 35.10 O ATOM 8 OD2 ASP A 1 -16.620 -24.638 -31.910 1.00 74.22 O ATOM 0 H1 ASP A 1 -18.926 -21.542 -34.690 1.00 35.11 H new ATOM 0 H2 ASP A 1 -19.462 -20.395 -33.559 1.00 35.11 H new ATOM 0 H3 ASP A 1 -17.840 -20.398 -34.061 1.00 35.11 H new ATOM 0 HA ASP A 1 -19.196 -21.991 -32.105 1.00 73.33 H new ATOM 0 HB2 ASP A 1 -18.794 -23.624 -33.975 1.00 40.54 H new ATOM 0 HB3 ASP A 1 -17.087 -23.230 -33.920 1.00 40.54 H new ATOM 13 N LEU A 2 -17.037 -21.851 -30.707 1.00 75.42 N ATOM 14 CA LEU A 2 -15.960 -21.422 -29.822 1.00 51.23 C ATOM 15 C LEU A 2 -15.392 -22.603 -29.043 1.00 21.32 C ATOM 16 O LEU A 2 -15.995 -23.676 -28.991 1.00 52.33 O ATOM 17 CB LEU A 2 -16.466 -20.352 -28.853 1.00 21.23 C ATOM 18 CG LEU A 2 -17.886 -20.546 -28.321 1.00 34.11 C ATOM 19 CD1 LEU A 2 -18.010 -19.986 -26.912 1.00 52.14 C ATOM 20 CD2 LEU A 2 -18.898 -19.889 -29.249 1.00 24.00 C ATOM 0 H LEU A 2 -17.674 -22.533 -30.295 1.00 75.42 H new ATOM 0 HA LEU A 2 -15.164 -21.000 -30.436 1.00 51.23 H new ATOM 0 HB2 LEU A 2 -15.784 -20.308 -28.004 1.00 21.23 H new ATOM 0 HB3 LEU A 2 -16.416 -19.385 -29.353 1.00 21.23 H new ATOM 0 HG LEU A 2 -18.097 -21.615 -28.285 1.00 34.11 H new ATOM 0 HD11 LEU A 2 -19.028 -20.133 -26.550 1.00 52.14 H new ATOM 0 HD12 LEU A 2 -17.312 -20.502 -26.253 1.00 52.14 H new ATOM 0 HD13 LEU A 2 -17.779 -18.921 -26.922 1.00 52.14 H new ATOM 0 HD21 LEU A 2 -19.903 -20.037 -28.855 1.00 24.00 H new ATOM 0 HD22 LEU A 2 -18.689 -18.821 -29.318 1.00 24.00 H new ATOM 0 HD23 LEU A 2 -18.827 -20.337 -30.240 1.00 24.00 H new ATOM 32 N THR A 3 -14.227 -22.399 -28.435 1.00 34.45 N ATOM 33 CA THR A 3 -13.578 -23.447 -27.656 1.00 41.35 C ATOM 34 C THR A 3 -13.066 -22.906 -26.326 1.00 71.12 C ATOM 35 O THR A 3 -13.098 -21.700 -26.081 1.00 62.11 O ATOM 36 CB THR A 3 -12.402 -24.074 -28.429 1.00 51.54 C ATOM 37 OG1 THR A 3 -11.365 -23.104 -28.615 1.00 11.42 O ATOM 38 CG2 THR A 3 -12.861 -24.597 -29.782 1.00 34.22 C ATOM 0 H THR A 3 -13.714 -21.518 -28.467 1.00 34.45 H new ATOM 0 HA THR A 3 -14.330 -24.213 -27.468 1.00 41.35 H new ATOM 0 HB THR A 3 -12.017 -24.910 -27.845 1.00 51.54 H new ATOM 0 HG1 THR A 3 -10.621 -23.511 -29.106 1.00 11.42 H new ATOM 0 HG21 THR A 3 -12.014 -25.035 -30.309 1.00 34.22 H new ATOM 0 HG22 THR A 3 -13.630 -25.356 -29.637 1.00 34.22 H new ATOM 0 HG23 THR A 3 -13.269 -23.775 -30.370 1.00 34.22 H new ATOM 46 N VAL A 4 -12.594 -23.806 -25.469 1.00 44.04 N ATOM 47 CA VAL A 4 -12.073 -23.419 -24.164 1.00 1.32 C ATOM 48 C VAL A 4 -10.770 -24.147 -23.853 1.00 72.55 C ATOM 49 O VAL A 4 -10.744 -25.078 -23.048 1.00 14.12 O ATOM 50 CB VAL A 4 -13.090 -23.710 -23.045 1.00 14.02 C ATOM 51 CG1 VAL A 4 -14.217 -22.689 -23.068 1.00 53.44 C ATOM 52 CG2 VAL A 4 -13.638 -25.123 -23.178 1.00 23.15 C ATOM 0 H VAL A 4 -12.562 -24.808 -25.655 1.00 44.04 H new ATOM 0 HA VAL A 4 -11.885 -22.346 -24.205 1.00 1.32 H new ATOM 0 HB VAL A 4 -12.580 -23.631 -22.085 1.00 14.02 H new ATOM 0 HG11 VAL A 4 -14.926 -22.911 -22.270 1.00 53.44 H new ATOM 0 HG12 VAL A 4 -13.806 -21.690 -22.921 1.00 53.44 H new ATOM 0 HG13 VAL A 4 -14.728 -22.733 -24.030 1.00 53.44 H new ATOM 0 HG21 VAL A 4 -14.355 -25.312 -22.379 1.00 23.15 H new ATOM 0 HG22 VAL A 4 -14.133 -25.232 -24.143 1.00 23.15 H new ATOM 0 HG23 VAL A 4 -12.819 -25.839 -23.107 1.00 23.15 H new ATOM 62 N ARG A 5 -9.690 -23.718 -24.498 1.00 53.10 N ATOM 63 CA ARG A 5 -8.383 -24.330 -24.291 1.00 73.05 C ATOM 64 C ARG A 5 -7.419 -23.345 -23.638 1.00 2.13 C ATOM 65 O ARG A 5 -7.289 -22.204 -24.080 1.00 3.33 O ATOM 66 CB ARG A 5 -7.808 -24.816 -25.623 1.00 60.10 C ATOM 67 CG ARG A 5 -7.947 -23.807 -26.751 1.00 71.02 C ATOM 68 CD ARG A 5 -7.415 -24.362 -28.063 1.00 53.34 C ATOM 69 NE ARG A 5 -8.117 -25.577 -28.468 1.00 63.12 N ATOM 70 CZ ARG A 5 -7.914 -26.191 -29.629 1.00 1.42 C ATOM 71 NH1 ARG A 5 -7.035 -25.705 -30.494 1.00 62.14 N ATOM 72 NH2 ARG A 5 -8.591 -27.293 -29.925 1.00 40.42 N ATOM 0 H ARG A 5 -9.694 -22.949 -25.168 1.00 53.10 H new ATOM 0 HA ARG A 5 -8.510 -25.183 -23.625 1.00 73.05 H new ATOM 0 HB2 ARG A 5 -6.753 -25.054 -25.488 1.00 60.10 H new ATOM 0 HB3 ARG A 5 -8.310 -25.740 -25.910 1.00 60.10 H new ATOM 0 HG2 ARG A 5 -8.996 -23.533 -26.869 1.00 71.02 H new ATOM 0 HG3 ARG A 5 -7.407 -22.896 -26.494 1.00 71.02 H new ATOM 0 HD2 ARG A 5 -7.516 -23.608 -28.843 1.00 53.34 H new ATOM 0 HD3 ARG A 5 -6.351 -24.575 -27.962 1.00 53.34 H new ATOM 0 HE ARG A 5 -8.800 -25.976 -27.825 1.00 63.12 H new ATOM 0 HH11 ARG A 5 -6.513 -24.858 -30.269 1.00 62.14 H new ATOM 0 HH12 ARG A 5 -6.881 -26.178 -31.384 1.00 62.14 H new ATOM 0 HH21 ARG A 5 -9.268 -27.669 -29.261 1.00 40.42 H new ATOM 0 HH22 ARG A 5 -8.435 -27.764 -30.816 1.00 40.42 H new ATOM 86 N GLN A 6 -6.746 -23.795 -22.583 1.00 52.42 N ATOM 87 CA GLN A 6 -5.795 -22.952 -21.868 1.00 41.13 C ATOM 88 C GLN A 6 -5.036 -23.757 -20.819 1.00 32.04 C ATOM 89 O GLN A 6 -5.563 -24.717 -20.256 1.00 15.22 O ATOM 90 CB GLN A 6 -6.519 -21.779 -21.204 1.00 63.41 C ATOM 91 CG GLN A 6 -5.630 -20.568 -20.972 1.00 22.31 C ATOM 92 CD GLN A 6 -4.947 -20.596 -19.619 1.00 34.15 C ATOM 93 OE1 GLN A 6 -3.724 -20.490 -19.525 1.00 32.32 O ATOM 94 NE2 GLN A 6 -5.737 -20.739 -18.560 1.00 44.21 N ATOM 0 H GLN A 6 -6.842 -24.738 -22.205 1.00 52.42 H new ATOM 0 HA GLN A 6 -5.077 -22.564 -22.591 1.00 41.13 H new ATOM 0 HB2 GLN A 6 -7.364 -21.485 -21.827 1.00 63.41 H new ATOM 0 HB3 GLN A 6 -6.927 -22.108 -20.248 1.00 63.41 H new ATOM 0 HG2 GLN A 6 -4.874 -20.522 -21.756 1.00 22.31 H new ATOM 0 HG3 GLN A 6 -6.229 -19.661 -21.054 1.00 22.31 H new ATOM 0 HE21 GLN A 6 -6.746 -20.823 -18.684 1.00 44.21 H new ATOM 0 HE22 GLN A 6 -5.334 -20.764 -17.623 1.00 44.21 H new ATOM 103 N LYS A 7 -3.795 -23.360 -20.559 1.00 62.54 N ATOM 104 CA LYS A 7 -2.962 -24.044 -19.577 1.00 13.25 C ATOM 105 C LYS A 7 -1.995 -23.070 -18.912 1.00 5.10 C ATOM 106 O LYS A 7 -1.473 -22.161 -19.556 1.00 51.15 O ATOM 107 CB LYS A 7 -2.182 -25.181 -20.241 1.00 14.14 C ATOM 108 CG LYS A 7 -1.538 -24.788 -21.559 1.00 13.12 C ATOM 109 CD LYS A 7 -0.895 -25.982 -22.243 1.00 72.42 C ATOM 110 CE LYS A 7 0.438 -26.339 -21.605 1.00 23.45 C ATOM 111 NZ LYS A 7 0.961 -27.641 -22.104 1.00 24.34 N ATOM 0 H LYS A 7 -3.344 -22.567 -21.015 1.00 62.54 H new ATOM 0 HA LYS A 7 -3.616 -24.460 -18.811 1.00 13.25 H new ATOM 0 HB2 LYS A 7 -1.407 -25.527 -19.557 1.00 14.14 H new ATOM 0 HB3 LYS A 7 -2.855 -26.021 -20.411 1.00 14.14 H new ATOM 0 HG2 LYS A 7 -2.290 -24.352 -22.217 1.00 13.12 H new ATOM 0 HG3 LYS A 7 -0.785 -24.020 -21.382 1.00 13.12 H new ATOM 0 HD2 LYS A 7 -1.567 -26.839 -22.189 1.00 72.42 H new ATOM 0 HD3 LYS A 7 -0.746 -25.760 -23.300 1.00 72.42 H new ATOM 0 HE2 LYS A 7 1.163 -25.552 -21.814 1.00 23.45 H new ATOM 0 HE3 LYS A 7 0.321 -26.385 -20.522 1.00 23.45 H new ATOM 0 HZ1 LYS A 7 1.871 -27.848 -21.645 1.00 24.34 H new ATOM 0 HZ2 LYS A 7 0.281 -28.396 -21.882 1.00 24.34 H new ATOM 0 HZ3 LYS A 7 1.097 -27.589 -23.134 1.00 24.34 H new ATOM 125 N GLY A 8 -1.758 -23.268 -17.619 1.00 2.55 N ATOM 126 CA GLY A 8 -0.852 -22.400 -16.889 1.00 40.51 C ATOM 127 C GLY A 8 -1.438 -21.924 -15.574 1.00 45.03 C ATOM 128 O GLY A 8 -1.991 -20.828 -15.494 1.00 25.11 O ATOM 0 H GLY A 8 -2.177 -24.014 -17.064 1.00 2.55 H new ATOM 0 HA2 GLY A 8 0.080 -22.932 -16.697 1.00 40.51 H new ATOM 0 HA3 GLY A 8 -0.604 -21.537 -17.507 1.00 40.51 H new ATOM 132 N ASN A 9 -1.317 -22.751 -14.541 1.00 73.31 N ATOM 133 CA ASN A 9 -1.841 -22.410 -13.224 1.00 14.14 C ATOM 134 C ASN A 9 -0.715 -22.304 -12.201 1.00 24.25 C ATOM 135 O ASN A 9 -0.824 -21.578 -11.213 1.00 3.54 O ATOM 136 CB ASN A 9 -2.860 -23.457 -12.770 1.00 75.31 C ATOM 137 CG ASN A 9 -2.458 -24.865 -13.165 1.00 5.11 C ATOM 138 OD1 ASN A 9 -2.690 -25.295 -14.295 1.00 31.34 O ATOM 139 ND2 ASN A 9 -1.850 -25.590 -12.233 1.00 10.34 N ATOM 0 H ASN A 9 -0.861 -23.662 -14.591 1.00 73.31 H new ATOM 0 HA ASN A 9 -2.334 -21.441 -13.297 1.00 14.14 H new ATOM 0 HB2 ASN A 9 -2.973 -23.405 -11.687 1.00 75.31 H new ATOM 0 HB3 ASN A 9 -3.833 -23.225 -13.203 1.00 75.31 H new ATOM 0 HD21 ASN A 9 -1.555 -26.544 -12.441 1.00 10.34 H new ATOM 0 HD22 ASN A 9 -1.678 -25.193 -11.309 1.00 10.34 H new ATOM 146 N LYS A 10 0.369 -23.034 -12.444 1.00 52.23 N ATOM 147 CA LYS A 10 1.518 -23.022 -11.547 1.00 12.03 C ATOM 148 C LYS A 10 2.387 -21.793 -11.792 1.00 1.10 C ATOM 149 O LYS A 10 3.575 -21.910 -12.094 1.00 73.45 O ATOM 150 CB LYS A 10 2.349 -24.293 -11.733 1.00 23.24 C ATOM 151 CG LYS A 10 1.624 -25.561 -11.314 1.00 44.32 C ATOM 152 CD LYS A 10 2.039 -26.748 -12.167 1.00 42.23 C ATOM 153 CE LYS A 10 1.162 -27.961 -11.898 1.00 40.15 C ATOM 154 NZ LYS A 10 1.796 -29.221 -12.377 1.00 52.40 N ATOM 0 H LYS A 10 0.475 -23.642 -13.256 1.00 52.23 H new ATOM 0 HA LYS A 10 1.147 -22.984 -10.523 1.00 12.03 H new ATOM 0 HB2 LYS A 10 2.637 -24.379 -12.781 1.00 23.24 H new ATOM 0 HB3 LYS A 10 3.269 -24.203 -11.156 1.00 23.24 H new ATOM 0 HG2 LYS A 10 1.836 -25.773 -10.266 1.00 44.32 H new ATOM 0 HG3 LYS A 10 0.548 -25.410 -11.397 1.00 44.32 H new ATOM 0 HD2 LYS A 10 1.977 -26.479 -13.221 1.00 42.23 H new ATOM 0 HD3 LYS A 10 3.080 -26.998 -11.963 1.00 42.23 H new ATOM 0 HE2 LYS A 10 0.965 -28.037 -10.829 1.00 40.15 H new ATOM 0 HE3 LYS A 10 0.199 -27.829 -12.391 1.00 40.15 H new ATOM 0 HZ1 LYS A 10 1.167 -30.024 -12.175 1.00 52.40 H new ATOM 0 HZ2 LYS A 10 1.961 -29.159 -13.402 1.00 52.40 H new ATOM 0 HZ3 LYS A 10 2.703 -29.361 -11.889 1.00 52.40 H new ATOM 168 N VAL A 11 1.788 -20.614 -11.658 1.00 43.33 N ATOM 169 CA VAL A 11 2.509 -19.363 -11.863 1.00 12.22 C ATOM 170 C VAL A 11 1.888 -18.232 -11.050 1.00 24.01 C ATOM 171 O VAL A 11 0.925 -18.441 -10.312 1.00 53.33 O ATOM 172 CB VAL A 11 2.526 -18.962 -13.350 1.00 0.42 C ATOM 173 CG1 VAL A 11 3.477 -19.854 -14.133 1.00 35.41 C ATOM 174 CG2 VAL A 11 1.123 -19.021 -13.934 1.00 35.54 C ATOM 0 H VAL A 11 0.806 -20.499 -11.408 1.00 43.33 H new ATOM 0 HA VAL A 11 3.533 -19.529 -11.528 1.00 12.22 H new ATOM 0 HB VAL A 11 2.883 -17.935 -13.427 1.00 0.42 H new ATOM 0 HG11 VAL A 11 3.476 -19.556 -15.181 1.00 35.41 H new ATOM 0 HG12 VAL A 11 4.484 -19.755 -13.729 1.00 35.41 H new ATOM 0 HG13 VAL A 11 3.153 -20.892 -14.051 1.00 35.41 H new ATOM 0 HG21 VAL A 11 1.154 -18.735 -14.985 1.00 35.54 H new ATOM 0 HG22 VAL A 11 0.735 -20.036 -13.846 1.00 35.54 H new ATOM 0 HG23 VAL A 11 0.473 -18.335 -13.390 1.00 35.54 H new ATOM 184 N ILE A 12 2.447 -17.035 -11.190 1.00 51.42 N ATOM 185 CA ILE A 12 1.947 -15.870 -10.470 1.00 22.12 C ATOM 186 C ILE A 12 1.240 -14.903 -11.412 1.00 53.55 C ATOM 187 O ILE A 12 1.505 -14.883 -12.615 1.00 22.14 O ATOM 188 CB ILE A 12 3.084 -15.125 -9.746 1.00 64.03 C ATOM 189 CG1 ILE A 12 4.262 -14.901 -10.697 1.00 2.52 C ATOM 190 CG2 ILE A 12 3.530 -15.903 -8.517 1.00 74.32 C ATOM 191 CD1 ILE A 12 5.387 -14.094 -10.086 1.00 15.21 C ATOM 0 H ILE A 12 3.246 -16.846 -11.795 1.00 51.42 H new ATOM 0 HA ILE A 12 1.236 -16.238 -9.730 1.00 22.12 H new ATOM 0 HB ILE A 12 2.712 -14.153 -9.421 1.00 64.03 H new ATOM 0 HG12 ILE A 12 4.651 -15.868 -11.015 1.00 2.52 H new ATOM 0 HG13 ILE A 12 3.904 -14.391 -11.592 1.00 2.52 H new ATOM 0 HG21 ILE A 12 4.334 -15.363 -8.017 1.00 74.32 H new ATOM 0 HG22 ILE A 12 2.689 -16.017 -7.833 1.00 74.32 H new ATOM 0 HG23 ILE A 12 3.887 -16.887 -8.819 1.00 74.32 H new ATOM 0 HD11 ILE A 12 6.187 -13.975 -10.816 1.00 15.21 H new ATOM 0 HD12 ILE A 12 5.014 -13.113 -9.793 1.00 15.21 H new ATOM 0 HD13 ILE A 12 5.771 -14.613 -9.208 1.00 15.21 H new ATOM 203 N LYS A 13 0.338 -14.099 -10.859 1.00 3.52 N ATOM 204 CA LYS A 13 -0.407 -13.125 -11.648 1.00 44.21 C ATOM 205 C LYS A 13 -1.028 -12.059 -10.751 1.00 51.35 C ATOM 206 O LYS A 13 -1.242 -12.266 -9.557 1.00 12.21 O ATOM 207 CB LYS A 13 -1.499 -13.824 -12.460 1.00 34.24 C ATOM 208 CG LYS A 13 -2.245 -14.894 -11.681 1.00 13.45 C ATOM 209 CD LYS A 13 -3.285 -15.589 -12.543 1.00 53.41 C ATOM 210 CE LYS A 13 -4.428 -14.651 -12.903 1.00 21.22 C ATOM 211 NZ LYS A 13 -5.434 -15.313 -13.779 1.00 22.43 N ATOM 0 H LYS A 13 0.105 -14.103 -9.866 1.00 3.52 H new ATOM 0 HA LYS A 13 0.289 -12.639 -12.331 1.00 44.21 H new ATOM 0 HB2 LYS A 13 -2.212 -13.078 -12.811 1.00 34.24 H new ATOM 0 HB3 LYS A 13 -1.049 -14.277 -13.344 1.00 34.24 H new ATOM 0 HG2 LYS A 13 -1.536 -15.629 -11.301 1.00 13.45 H new ATOM 0 HG3 LYS A 13 -2.731 -14.443 -10.816 1.00 13.45 H new ATOM 0 HD2 LYS A 13 -2.815 -15.959 -13.455 1.00 53.41 H new ATOM 0 HD3 LYS A 13 -3.678 -16.456 -12.013 1.00 53.41 H new ATOM 0 HE2 LYS A 13 -4.913 -14.303 -11.991 1.00 21.22 H new ATOM 0 HE3 LYS A 13 -4.030 -13.771 -13.408 1.00 21.22 H new ATOM 0 HZ1 LYS A 13 -6.196 -14.641 -14.002 1.00 22.43 H new ATOM 0 HZ2 LYS A 13 -4.977 -15.622 -14.660 1.00 22.43 H new ATOM 0 HZ3 LYS A 13 -5.833 -16.138 -13.288 1.00 22.43 H new ATOM 225 N PRO A 14 -1.327 -10.891 -11.339 1.00 44.51 N ATOM 226 CA PRO A 14 -1.930 -9.770 -10.612 1.00 2.12 C ATOM 227 C PRO A 14 -3.374 -10.049 -10.211 1.00 32.32 C ATOM 228 O PRO A 14 -4.056 -10.862 -10.836 1.00 23.13 O ATOM 229 CB PRO A 14 -1.868 -8.619 -11.619 1.00 4.32 C ATOM 230 CG PRO A 14 -1.845 -9.283 -12.952 1.00 42.22 C ATOM 231 CD PRO A 14 -1.099 -10.574 -12.759 1.00 43.01 C ATOM 0 HA PRO A 14 -1.410 -9.564 -9.676 1.00 2.12 H new ATOM 0 HB2 PRO A 14 -2.730 -7.960 -11.520 1.00 4.32 H new ATOM 0 HB3 PRO A 14 -0.979 -8.007 -11.466 1.00 4.32 H new ATOM 0 HG2 PRO A 14 -2.857 -9.467 -13.314 1.00 42.22 H new ATOM 0 HG3 PRO A 14 -1.351 -8.654 -13.693 1.00 42.22 H new ATOM 0 HD2 PRO A 14 -1.479 -11.359 -13.412 1.00 43.01 H new ATOM 0 HD3 PRO A 14 -0.038 -10.462 -12.980 1.00 43.01 H new ATOM 239 N ASP A 15 -3.835 -9.371 -9.166 1.00 1.22 N ATOM 240 CA ASP A 15 -5.200 -9.545 -8.682 1.00 63.13 C ATOM 241 C ASP A 15 -6.023 -8.282 -8.913 1.00 12.25 C ATOM 242 O ASP A 15 -5.544 -7.318 -9.509 1.00 13.01 O ATOM 243 CB ASP A 15 -5.195 -9.902 -7.195 1.00 40.21 C ATOM 244 CG ASP A 15 -6.269 -10.911 -6.838 1.00 64.03 C ATOM 245 OD1 ASP A 15 -6.570 -11.780 -7.683 1.00 41.31 O ATOM 246 OD2 ASP A 15 -6.808 -10.832 -5.715 1.00 12.34 O ATOM 0 H ASP A 15 -3.283 -8.695 -8.637 1.00 1.22 H new ATOM 0 HA ASP A 15 -5.657 -10.361 -9.241 1.00 63.13 H new ATOM 0 HB2 ASP A 15 -4.219 -10.304 -6.924 1.00 40.21 H new ATOM 0 HB3 ASP A 15 -5.341 -8.996 -6.606 1.00 40.21 H new ATOM 251 N GLU A 16 -7.264 -8.295 -8.436 1.00 73.42 N ATOM 252 CA GLU A 16 -8.154 -7.151 -8.592 1.00 74.04 C ATOM 253 C GLU A 16 -8.318 -6.405 -7.271 1.00 41.45 C ATOM 254 O GLU A 16 -8.666 -5.223 -7.251 1.00 24.42 O ATOM 255 CB GLU A 16 -9.522 -7.607 -9.106 1.00 42.40 C ATOM 256 CG GLU A 16 -10.326 -8.391 -8.083 1.00 0.33 C ATOM 257 CD GLU A 16 -11.672 -8.840 -8.618 1.00 44.02 C ATOM 258 OE1 GLU A 16 -12.223 -8.146 -9.498 1.00 5.11 O ATOM 259 OE2 GLU A 16 -12.173 -9.887 -8.157 1.00 54.32 O ATOM 0 H GLU A 16 -7.675 -9.085 -7.939 1.00 73.42 H new ATOM 0 HA GLU A 16 -7.708 -6.473 -9.319 1.00 74.04 H new ATOM 0 HB2 GLU A 16 -10.095 -6.732 -9.413 1.00 42.40 H new ATOM 0 HB3 GLU A 16 -9.380 -8.223 -9.994 1.00 42.40 H new ATOM 0 HG2 GLU A 16 -9.754 -9.264 -7.769 1.00 0.33 H new ATOM 0 HG3 GLU A 16 -10.479 -7.775 -7.197 1.00 0.33 H new ATOM 266 N THR A 17 -8.065 -7.103 -6.169 1.00 11.23 N ATOM 267 CA THR A 17 -8.185 -6.509 -4.843 1.00 55.54 C ATOM 268 C THR A 17 -7.408 -5.200 -4.755 1.00 21.32 C ATOM 269 O THR A 17 -7.779 -4.296 -4.006 1.00 73.14 O ATOM 270 CB THR A 17 -7.680 -7.468 -3.749 1.00 52.05 C ATOM 271 OG1 THR A 17 -6.322 -7.837 -4.011 1.00 64.31 O ATOM 272 CG2 THR A 17 -8.547 -8.717 -3.682 1.00 44.44 C ATOM 0 H THR A 17 -7.775 -8.081 -6.168 1.00 11.23 H new ATOM 0 HA THR A 17 -9.244 -6.311 -4.680 1.00 55.54 H new ATOM 0 HB THR A 17 -7.738 -6.953 -2.790 1.00 52.05 H new ATOM 0 HG1 THR A 17 -6.007 -8.446 -3.310 1.00 64.31 H new ATOM 0 HG21 THR A 17 -8.171 -9.379 -2.902 1.00 44.44 H new ATOM 0 HG22 THR A 17 -9.575 -8.435 -3.454 1.00 44.44 H new ATOM 0 HG23 THR A 17 -8.517 -9.233 -4.642 1.00 44.44 H new ATOM 280 N ARG A 18 -6.328 -5.106 -5.523 1.00 61.05 N ATOM 281 CA ARG A 18 -5.498 -3.908 -5.531 1.00 3.41 C ATOM 282 C ARG A 18 -6.318 -2.681 -5.919 1.00 45.33 C ATOM 283 O ARG A 18 -7.529 -2.769 -6.121 1.00 43.32 O ATOM 284 CB ARG A 18 -4.326 -4.079 -6.500 1.00 12.04 C ATOM 285 CG ARG A 18 -3.280 -5.073 -6.021 1.00 14.41 C ATOM 286 CD ARG A 18 -1.882 -4.661 -6.453 1.00 63.02 C ATOM 287 NE ARG A 18 -1.336 -5.559 -7.468 1.00 11.42 N ATOM 288 CZ ARG A 18 -1.618 -5.463 -8.762 1.00 54.23 C ATOM 289 NH1 ARG A 18 -2.436 -4.514 -9.197 1.00 44.35 N ATOM 290 NH2 ARG A 18 -1.082 -6.317 -9.625 1.00 34.25 N ATOM 0 H ARG A 18 -6.007 -5.845 -6.148 1.00 61.05 H new ATOM 0 HA ARG A 18 -5.109 -3.760 -4.524 1.00 3.41 H new ATOM 0 HB2 ARG A 18 -4.709 -4.405 -7.467 1.00 12.04 H new ATOM 0 HB3 ARG A 18 -3.850 -3.111 -6.656 1.00 12.04 H new ATOM 0 HG2 ARG A 18 -3.319 -5.149 -4.934 1.00 14.41 H new ATOM 0 HG3 ARG A 18 -3.508 -6.062 -6.418 1.00 14.41 H new ATOM 0 HD2 ARG A 18 -1.909 -3.644 -6.845 1.00 63.02 H new ATOM 0 HD3 ARG A 18 -1.223 -4.651 -5.585 1.00 63.02 H new ATOM 0 HE ARG A 18 -0.704 -6.300 -7.166 1.00 11.42 H new ATOM 0 HH11 ARG A 18 -2.850 -3.856 -8.537 1.00 44.35 H new ATOM 0 HH12 ARG A 18 -2.651 -4.442 -10.192 1.00 44.35 H new ATOM 0 HH21 ARG A 18 -0.452 -7.048 -9.295 1.00 34.25 H new ATOM 0 HH22 ARG A 18 -1.300 -6.242 -10.619 1.00 34.25 H new ATOM 304 N VAL A 19 -5.649 -1.536 -6.021 1.00 63.54 N ATOM 305 CA VAL A 19 -6.315 -0.292 -6.386 1.00 5.30 C ATOM 306 C VAL A 19 -6.995 -0.410 -7.745 1.00 44.22 C ATOM 307 O VAL A 19 -6.378 -0.826 -8.727 1.00 12.34 O ATOM 308 CB VAL A 19 -5.322 0.886 -6.421 1.00 55.02 C ATOM 309 CG1 VAL A 19 -4.167 0.583 -7.363 1.00 51.21 C ATOM 310 CG2 VAL A 19 -6.032 2.168 -6.830 1.00 33.11 C ATOM 0 H VAL A 19 -4.647 -1.445 -5.856 1.00 63.54 H new ATOM 0 HA VAL A 19 -7.069 -0.100 -5.622 1.00 5.30 H new ATOM 0 HB VAL A 19 -4.915 1.026 -5.420 1.00 55.02 H new ATOM 0 HG11 VAL A 19 -3.476 1.426 -7.375 1.00 51.21 H new ATOM 0 HG12 VAL A 19 -3.644 -0.310 -7.022 1.00 51.21 H new ATOM 0 HG13 VAL A 19 -4.552 0.416 -8.369 1.00 51.21 H new ATOM 0 HG21 VAL A 19 -5.316 2.990 -6.850 1.00 33.11 H new ATOM 0 HG22 VAL A 19 -6.468 2.042 -7.821 1.00 33.11 H new ATOM 0 HG23 VAL A 19 -6.821 2.391 -6.112 1.00 33.11 H new ATOM 320 N LYS A 20 -8.270 -0.041 -7.797 1.00 10.25 N ATOM 321 CA LYS A 20 -9.036 -0.103 -9.036 1.00 2.03 C ATOM 322 C LYS A 20 -9.383 1.297 -9.532 1.00 5.11 C ATOM 323 O LYS A 20 -10.516 1.754 -9.385 1.00 22.21 O ATOM 324 CB LYS A 20 -10.317 -0.914 -8.828 1.00 10.45 C ATOM 325 CG LYS A 20 -10.101 -2.207 -8.062 1.00 24.32 C ATOM 326 CD LYS A 20 -10.367 -2.027 -6.577 1.00 24.54 C ATOM 327 CE LYS A 20 -11.852 -2.120 -6.261 1.00 43.22 C ATOM 328 NZ LYS A 20 -12.116 -2.017 -4.799 1.00 63.32 N ATOM 0 H LYS A 20 -8.796 0.305 -6.994 1.00 10.25 H new ATOM 0 HA LYS A 20 -8.421 -0.594 -9.790 1.00 2.03 H new ATOM 0 HB2 LYS A 20 -11.042 -0.301 -8.292 1.00 10.45 H new ATOM 0 HB3 LYS A 20 -10.752 -1.146 -9.800 1.00 10.45 H new ATOM 0 HG2 LYS A 20 -10.759 -2.980 -8.459 1.00 24.32 H new ATOM 0 HG3 LYS A 20 -9.078 -2.552 -8.210 1.00 24.32 H new ATOM 0 HD2 LYS A 20 -9.826 -2.788 -6.015 1.00 24.54 H new ATOM 0 HD3 LYS A 20 -9.985 -1.059 -6.253 1.00 24.54 H new ATOM 0 HE2 LYS A 20 -12.385 -1.325 -6.783 1.00 43.22 H new ATOM 0 HE3 LYS A 20 -12.244 -3.066 -6.635 1.00 43.22 H new ATOM 0 HZ1 LYS A 20 -13.139 -2.085 -4.625 1.00 63.32 H new ATOM 0 HZ2 LYS A 20 -11.629 -2.790 -4.303 1.00 63.32 H new ATOM 0 HZ3 LYS A 20 -11.765 -1.104 -4.446 1.00 63.32 H new ATOM 342 N GLN A 21 -8.400 1.972 -10.121 1.00 31.44 N ATOM 343 CA GLN A 21 -8.603 3.319 -10.639 1.00 11.21 C ATOM 344 C GLN A 21 -9.598 3.314 -11.795 1.00 65.32 C ATOM 345 O GLN A 21 -10.106 2.262 -12.185 1.00 51.52 O ATOM 346 CB GLN A 21 -7.272 3.918 -11.098 1.00 73.30 C ATOM 347 CG GLN A 21 -6.592 4.772 -10.040 1.00 73.04 C ATOM 348 CD GLN A 21 -7.483 5.887 -9.530 1.00 0.41 C ATOM 349 OE1 GLN A 21 -8.139 6.580 -10.309 1.00 63.30 O ATOM 350 NE2 GLN A 21 -7.511 6.068 -8.215 1.00 34.34 N ATOM 0 H GLN A 21 -7.456 1.608 -10.251 1.00 31.44 H new ATOM 0 HA GLN A 21 -9.011 3.932 -9.836 1.00 11.21 H new ATOM 0 HB2 GLN A 21 -6.600 3.110 -11.388 1.00 73.30 H new ATOM 0 HB3 GLN A 21 -7.443 4.524 -11.987 1.00 73.30 H new ATOM 0 HG2 GLN A 21 -6.294 4.139 -9.204 1.00 73.04 H new ATOM 0 HG3 GLN A 21 -5.681 5.202 -10.456 1.00 73.04 H new ATOM 0 HE21 GLN A 21 -6.952 5.471 -7.606 1.00 34.34 H new ATOM 0 HE22 GLN A 21 -8.092 6.804 -7.814 1.00 34.34 H new ATOM 359 N PHE A 22 -9.871 4.495 -12.340 1.00 20.24 N ATOM 360 CA PHE A 22 -10.806 4.626 -13.451 1.00 11.32 C ATOM 361 C PHE A 22 -10.093 4.439 -14.787 1.00 30.43 C ATOM 362 O PHE A 22 -10.692 3.991 -15.766 1.00 2.22 O ATOM 363 CB PHE A 22 -11.488 5.995 -13.412 1.00 11.41 C ATOM 364 CG PHE A 22 -12.268 6.312 -14.656 1.00 2.31 C ATOM 365 CD1 PHE A 22 -11.658 6.938 -15.731 1.00 65.44 C ATOM 366 CD2 PHE A 22 -13.611 5.985 -14.750 1.00 63.41 C ATOM 367 CE1 PHE A 22 -12.373 7.231 -16.877 1.00 30.02 C ATOM 368 CE2 PHE A 22 -14.331 6.275 -15.893 1.00 52.14 C ATOM 369 CZ PHE A 22 -13.711 6.898 -16.958 1.00 51.25 C ATOM 0 H PHE A 22 -9.458 5.375 -12.030 1.00 20.24 H new ATOM 0 HA PHE A 22 -11.562 3.847 -13.351 1.00 11.32 H new ATOM 0 HB2 PHE A 22 -12.158 6.034 -12.553 1.00 11.41 H new ATOM 0 HB3 PHE A 22 -10.731 6.765 -13.261 1.00 11.41 H new ATOM 0 HD1 PHE A 22 -10.612 7.200 -15.673 1.00 65.44 H new ATOM 0 HD2 PHE A 22 -14.101 5.498 -13.920 1.00 63.41 H new ATOM 0 HE1 PHE A 22 -11.886 7.720 -17.708 1.00 30.02 H new ATOM 0 HE2 PHE A 22 -15.377 6.015 -15.953 1.00 52.14 H new ATOM 0 HZ PHE A 22 -14.271 7.125 -17.853 1.00 51.25 H new ATOM 379 N LEU A 23 -8.811 4.784 -14.820 1.00 2.24 N ATOM 380 CA LEU A 23 -8.014 4.655 -16.035 1.00 74.20 C ATOM 381 C LEU A 23 -7.228 3.348 -16.035 1.00 35.55 C ATOM 382 O LEU A 23 -6.990 2.756 -17.087 1.00 22.13 O ATOM 383 CB LEU A 23 -7.056 5.839 -16.169 1.00 2.43 C ATOM 384 CG LEU A 23 -7.609 7.201 -15.748 1.00 51.41 C ATOM 385 CD1 LEU A 23 -6.594 7.951 -14.899 1.00 71.13 C ATOM 386 CD2 LEU A 23 -7.994 8.021 -16.971 1.00 1.30 C ATOM 0 H LEU A 23 -8.301 5.156 -14.019 1.00 2.24 H new ATOM 0 HA LEU A 23 -8.695 4.648 -16.886 1.00 74.20 H new ATOM 0 HB2 LEU A 23 -6.167 5.630 -15.574 1.00 2.43 H new ATOM 0 HB3 LEU A 23 -6.735 5.905 -17.209 1.00 2.43 H new ATOM 0 HG LEU A 23 -8.504 7.038 -15.147 1.00 51.41 H new ATOM 0 HD11 LEU A 23 -7.006 8.918 -14.609 1.00 71.13 H new ATOM 0 HD12 LEU A 23 -6.367 7.370 -14.005 1.00 71.13 H new ATOM 0 HD13 LEU A 23 -5.680 8.103 -15.474 1.00 71.13 H new ATOM 0 HD21 LEU A 23 -8.386 8.987 -16.653 1.00 1.30 H new ATOM 0 HD22 LEU A 23 -7.115 8.174 -17.598 1.00 1.30 H new ATOM 0 HD23 LEU A 23 -8.757 7.490 -17.540 1.00 1.30 H new ATOM 398 N GLU A 24 -6.831 2.902 -14.847 1.00 12.24 N ATOM 399 CA GLU A 24 -6.074 1.664 -14.710 1.00 65.22 C ATOM 400 C GLU A 24 -6.934 0.457 -15.073 1.00 20.24 C ATOM 401 O GLU A 24 -6.447 -0.671 -15.131 1.00 60.41 O ATOM 402 CB GLU A 24 -5.546 1.517 -13.281 1.00 51.34 C ATOM 403 CG GLU A 24 -4.550 2.595 -12.887 1.00 31.22 C ATOM 404 CD GLU A 24 -4.034 2.422 -11.472 1.00 24.24 C ATOM 405 OE1 GLU A 24 -4.561 1.549 -10.751 1.00 22.50 O ATOM 406 OE2 GLU A 24 -3.103 3.159 -11.085 1.00 12.24 O ATOM 0 H GLU A 24 -7.021 3.380 -13.966 1.00 12.24 H new ATOM 0 HA GLU A 24 -5.230 1.707 -15.398 1.00 65.22 H new ATOM 0 HB2 GLU A 24 -6.387 1.540 -12.588 1.00 51.34 H new ATOM 0 HB3 GLU A 24 -5.073 0.541 -13.176 1.00 51.34 H new ATOM 0 HG2 GLU A 24 -3.710 2.579 -13.581 1.00 31.22 H new ATOM 0 HG3 GLU A 24 -5.022 3.573 -12.981 1.00 31.22 H new ATOM 413 N GLY A 25 -8.218 0.704 -15.315 1.00 21.23 N ATOM 414 CA GLY A 25 -9.126 -0.371 -15.668 1.00 35.44 C ATOM 415 C GLY A 25 -9.102 -0.689 -17.150 1.00 3.54 C ATOM 416 O GLY A 25 -9.596 -1.732 -17.577 1.00 24.31 O ATOM 0 H GLY A 25 -8.645 1.629 -15.273 1.00 21.23 H new ATOM 0 HA2 GLY A 25 -8.862 -1.265 -15.104 1.00 35.44 H new ATOM 0 HA3 GLY A 25 -10.139 -0.097 -15.375 1.00 35.44 H new ATOM 420 N PHE A 26 -8.527 0.215 -17.937 1.00 22.42 N ATOM 421 CA PHE A 26 -8.442 0.027 -19.381 1.00 11.25 C ATOM 422 C PHE A 26 -7.028 -0.368 -19.796 1.00 1.23 C ATOM 423 O PHE A 26 -6.172 -0.629 -18.951 1.00 50.15 O ATOM 424 CB PHE A 26 -8.860 1.307 -20.108 1.00 35.14 C ATOM 425 CG PHE A 26 -10.218 1.808 -19.705 1.00 42.53 C ATOM 426 CD1 PHE A 26 -11.366 1.206 -20.193 1.00 33.11 C ATOM 427 CD2 PHE A 26 -10.345 2.883 -18.840 1.00 13.02 C ATOM 428 CE1 PHE A 26 -12.617 1.665 -19.824 1.00 61.23 C ATOM 429 CE2 PHE A 26 -11.593 3.346 -18.467 1.00 71.14 C ATOM 430 CZ PHE A 26 -12.730 2.737 -18.961 1.00 73.12 C ATOM 0 H PHE A 26 -8.113 1.084 -17.599 1.00 22.42 H new ATOM 0 HA PHE A 26 -9.121 -0.779 -19.658 1.00 11.25 H new ATOM 0 HB2 PHE A 26 -8.122 2.084 -19.912 1.00 35.14 H new ATOM 0 HB3 PHE A 26 -8.853 1.124 -21.183 1.00 35.14 H new ATOM 0 HD1 PHE A 26 -11.283 0.368 -20.870 1.00 33.11 H new ATOM 0 HD2 PHE A 26 -9.459 3.365 -18.453 1.00 13.02 H new ATOM 0 HE1 PHE A 26 -13.504 1.186 -20.210 1.00 61.23 H new ATOM 0 HE2 PHE A 26 -11.679 4.183 -17.790 1.00 71.14 H new ATOM 0 HZ PHE A 26 -13.706 3.099 -18.673 1.00 73.12 H new ATOM 440 N ASN A 27 -6.791 -0.410 -21.103 1.00 13.31 N ATOM 441 CA ASN A 27 -5.482 -0.774 -21.631 1.00 43.03 C ATOM 442 C ASN A 27 -4.562 0.442 -21.692 1.00 30.14 C ATOM 443 O ASN A 27 -5.017 1.582 -21.599 1.00 54.20 O ATOM 444 CB ASN A 27 -5.624 -1.389 -23.025 1.00 31.32 C ATOM 445 CG ASN A 27 -5.796 -2.895 -22.977 1.00 64.40 C ATOM 446 OD1 ASN A 27 -5.610 -3.520 -21.932 1.00 44.44 O ATOM 447 ND2 ASN A 27 -6.152 -3.486 -24.112 1.00 31.35 N ATOM 0 H ASN A 27 -7.489 -0.196 -21.816 1.00 13.31 H new ATOM 0 HA ASN A 27 -5.039 -1.510 -20.959 1.00 43.03 H new ATOM 0 HB2 ASN A 27 -6.481 -0.944 -23.530 1.00 31.32 H new ATOM 0 HB3 ASN A 27 -4.743 -1.145 -23.618 1.00 31.32 H new ATOM 0 HD21 ASN A 27 -6.282 -4.497 -24.141 1.00 31.35 H new ATOM 0 HD22 ASN A 27 -6.295 -2.929 -24.954 1.00 31.35 H new ATOM 454 N ILE A 28 -3.267 0.190 -21.848 1.00 22.12 N ATOM 455 CA ILE A 28 -2.284 1.264 -21.922 1.00 62.43 C ATOM 456 C ILE A 28 -2.156 1.794 -23.346 1.00 51.21 C ATOM 457 O ILE A 28 -1.816 2.958 -23.557 1.00 31.14 O ATOM 458 CB ILE A 28 -0.900 0.795 -21.435 1.00 70.31 C ATOM 459 CG1 ILE A 28 0.085 1.965 -21.426 1.00 42.31 C ATOM 460 CG2 ILE A 28 -0.383 -0.333 -22.315 1.00 61.34 C ATOM 461 CD1 ILE A 28 -0.309 3.080 -20.482 1.00 71.25 C ATOM 0 H ILE A 28 -2.874 -0.748 -21.926 1.00 22.12 H new ATOM 0 HA ILE A 28 -2.639 2.062 -21.270 1.00 62.43 H new ATOM 0 HB ILE A 28 -0.998 0.419 -20.417 1.00 70.31 H new ATOM 0 HG12 ILE A 28 1.072 1.596 -21.148 1.00 42.31 H new ATOM 0 HG13 ILE A 28 0.168 2.367 -22.436 1.00 42.31 H new ATOM 0 HG21 ILE A 28 0.596 -0.653 -21.958 1.00 61.34 H new ATOM 0 HG22 ILE A 28 -1.077 -1.173 -22.275 1.00 61.34 H new ATOM 0 HG23 ILE A 28 -0.297 0.018 -23.343 1.00 61.34 H new ATOM 0 HD11 ILE A 28 0.435 3.875 -20.528 1.00 71.25 H new ATOM 0 HD12 ILE A 28 -1.282 3.476 -20.773 1.00 71.25 H new ATOM 0 HD13 ILE A 28 -0.364 2.693 -19.465 1.00 71.25 H new ATOM 473 N GLU A 29 -2.433 0.933 -24.320 1.00 70.30 N ATOM 474 CA GLU A 29 -2.350 1.316 -25.724 1.00 62.05 C ATOM 475 C GLU A 29 -3.545 2.177 -26.125 1.00 64.53 C ATOM 476 O GLU A 29 -3.466 2.971 -27.063 1.00 74.54 O ATOM 477 CB GLU A 29 -2.283 0.072 -26.613 1.00 22.35 C ATOM 478 CG GLU A 29 -3.558 -0.755 -26.599 1.00 65.11 C ATOM 479 CD GLU A 29 -3.588 -1.797 -27.700 1.00 75.31 C ATOM 480 OE1 GLU A 29 -2.518 -2.355 -28.020 1.00 51.24 O ATOM 481 OE2 GLU A 29 -4.684 -2.055 -28.241 1.00 72.42 O ATOM 0 H GLU A 29 -2.717 -0.034 -24.162 1.00 70.30 H new ATOM 0 HA GLU A 29 -1.440 1.901 -25.861 1.00 62.05 H new ATOM 0 HB2 GLU A 29 -2.070 0.379 -27.637 1.00 22.35 H new ATOM 0 HB3 GLU A 29 -1.451 -0.553 -26.288 1.00 22.35 H new ATOM 0 HG2 GLU A 29 -3.655 -1.250 -25.633 1.00 65.11 H new ATOM 0 HG3 GLU A 29 -4.417 -0.093 -26.706 1.00 65.11 H new ATOM 488 N THR A 30 -4.652 2.013 -25.408 1.00 22.23 N ATOM 489 CA THR A 30 -5.864 2.772 -25.688 1.00 43.03 C ATOM 490 C THR A 30 -5.635 4.266 -25.488 1.00 73.14 C ATOM 491 O THR A 30 -6.373 5.094 -26.024 1.00 25.11 O ATOM 492 CB THR A 30 -7.031 2.318 -24.792 1.00 11.23 C ATOM 493 OG1 THR A 30 -6.666 2.441 -23.413 1.00 12.45 O ATOM 494 CG2 THR A 30 -7.417 0.878 -25.093 1.00 25.21 C ATOM 0 H THR A 30 -4.734 1.361 -24.628 1.00 22.23 H new ATOM 0 HA THR A 30 -6.122 2.583 -26.730 1.00 43.03 H new ATOM 0 HB THR A 30 -7.889 2.958 -24.999 1.00 11.23 H new ATOM 0 HG1 THR A 30 -5.979 1.777 -23.196 1.00 12.45 H new ATOM 0 HG21 THR A 30 -8.243 0.580 -24.448 1.00 25.21 H new ATOM 0 HG22 THR A 30 -7.723 0.794 -26.136 1.00 25.21 H new ATOM 0 HG23 THR A 30 -6.562 0.227 -24.912 1.00 25.21 H new ATOM 502 N PHE A 31 -4.609 4.605 -24.715 1.00 32.41 N ATOM 503 CA PHE A 31 -4.284 6.000 -24.444 1.00 42.02 C ATOM 504 C PHE A 31 -3.303 6.541 -25.480 1.00 65.42 C ATOM 505 O PHE A 31 -2.458 5.806 -25.992 1.00 55.24 O ATOM 506 CB PHE A 31 -3.692 6.145 -23.041 1.00 32.25 C ATOM 507 CG PHE A 31 -4.489 5.442 -21.979 1.00 10.22 C ATOM 508 CD1 PHE A 31 -5.870 5.371 -22.063 1.00 51.35 C ATOM 509 CD2 PHE A 31 -3.857 4.853 -20.896 1.00 1.03 C ATOM 510 CE1 PHE A 31 -6.606 4.725 -21.088 1.00 54.23 C ATOM 511 CE2 PHE A 31 -4.588 4.205 -19.918 1.00 2.22 C ATOM 512 CZ PHE A 31 -5.964 4.142 -20.014 1.00 13.35 C ATOM 0 H PHE A 31 -3.988 3.932 -24.265 1.00 32.41 H new ATOM 0 HA PHE A 31 -5.205 6.579 -24.504 1.00 42.02 H new ATOM 0 HB2 PHE A 31 -2.676 5.751 -23.042 1.00 32.25 H new ATOM 0 HB3 PHE A 31 -3.624 7.204 -22.792 1.00 32.25 H new ATOM 0 HD1 PHE A 31 -6.378 5.826 -22.901 1.00 51.35 H new ATOM 0 HD2 PHE A 31 -2.781 4.901 -20.815 1.00 1.03 H new ATOM 0 HE1 PHE A 31 -7.682 4.676 -21.166 1.00 54.23 H new ATOM 0 HE2 PHE A 31 -4.083 3.748 -19.079 1.00 2.22 H new ATOM 0 HZ PHE A 31 -6.537 3.637 -19.250 1.00 13.35 H new ATOM 522 N GLU A 32 -3.421 7.829 -25.783 1.00 54.53 N ATOM 523 CA GLU A 32 -2.546 8.468 -26.759 1.00 61.00 C ATOM 524 C GLU A 32 -2.096 9.841 -26.269 1.00 44.34 C ATOM 525 O GLU A 32 -2.919 10.709 -25.979 1.00 63.12 O ATOM 526 CB GLU A 32 -3.259 8.603 -28.106 1.00 14.32 C ATOM 527 CG GLU A 32 -4.569 9.370 -28.027 1.00 31.54 C ATOM 528 CD GLU A 32 -5.468 9.113 -29.220 1.00 52.14 C ATOM 529 OE1 GLU A 32 -5.317 9.818 -30.240 1.00 11.11 O ATOM 530 OE2 GLU A 32 -6.323 8.207 -29.135 1.00 30.44 O ATOM 0 H GLU A 32 -4.114 8.451 -25.367 1.00 54.53 H new ATOM 0 HA GLU A 32 -1.665 7.839 -26.885 1.00 61.00 H new ATOM 0 HB2 GLU A 32 -2.596 9.105 -28.810 1.00 14.32 H new ATOM 0 HB3 GLU A 32 -3.454 7.608 -28.506 1.00 14.32 H new ATOM 0 HG2 GLU A 32 -5.095 9.091 -27.114 1.00 31.54 H new ATOM 0 HG3 GLU A 32 -4.357 10.437 -27.959 1.00 31.54 H new ATOM 537 N MET A 33 -0.783 10.030 -26.180 1.00 11.01 N ATOM 538 CA MET A 33 -0.223 11.298 -25.726 1.00 61.41 C ATOM 539 C MET A 33 -0.805 12.464 -26.518 1.00 62.14 C ATOM 540 O MET A 33 -1.084 12.339 -27.711 1.00 44.50 O ATOM 541 CB MET A 33 1.301 11.284 -25.861 1.00 71.24 C ATOM 542 CG MET A 33 1.964 12.572 -25.400 1.00 73.24 C ATOM 543 SD MET A 33 1.948 12.758 -23.607 1.00 73.10 S ATOM 544 CE MET A 33 3.380 13.805 -23.363 1.00 12.44 C ATOM 0 H MET A 33 -0.088 9.322 -26.416 1.00 11.01 H new ATOM 0 HA MET A 33 -0.486 11.428 -24.676 1.00 61.41 H new ATOM 0 HB2 MET A 33 1.701 10.452 -25.282 1.00 71.24 H new ATOM 0 HB3 MET A 33 1.564 11.103 -26.903 1.00 71.24 H new ATOM 0 HG2 MET A 33 2.995 12.593 -25.754 1.00 73.24 H new ATOM 0 HG3 MET A 33 1.454 13.421 -25.854 1.00 73.24 H new ATOM 0 HE1 MET A 33 3.609 13.866 -22.299 1.00 12.44 H new ATOM 0 HE2 MET A 33 4.233 13.384 -23.895 1.00 12.44 H new ATOM 0 HE3 MET A 33 3.170 14.804 -23.746 1.00 12.44 H new ATOM 554 N VAL A 34 -0.986 13.597 -25.848 1.00 12.31 N ATOM 555 CA VAL A 34 -1.534 14.786 -26.490 1.00 13.12 C ATOM 556 C VAL A 34 -0.641 15.999 -26.255 1.00 63.22 C ATOM 557 O VAL A 34 -0.468 16.836 -27.140 1.00 11.44 O ATOM 558 CB VAL A 34 -2.952 15.099 -25.975 1.00 3.13 C ATOM 559 CG1 VAL A 34 -3.958 14.111 -26.545 1.00 43.23 C ATOM 560 CG2 VAL A 34 -2.981 15.084 -24.454 1.00 22.12 C ATOM 0 H VAL A 34 -0.761 13.717 -24.860 1.00 12.31 H new ATOM 0 HA VAL A 34 -1.581 14.575 -27.558 1.00 13.12 H new ATOM 0 HB VAL A 34 -3.230 16.098 -26.312 1.00 3.13 H new ATOM 0 HG11 VAL A 34 -4.954 14.348 -26.170 1.00 43.23 H new ATOM 0 HG12 VAL A 34 -3.955 14.176 -27.633 1.00 43.23 H new ATOM 0 HG13 VAL A 34 -3.687 13.100 -26.241 1.00 43.23 H new ATOM 0 HG21 VAL A 34 -3.990 15.307 -24.107 1.00 22.12 H new ATOM 0 HG22 VAL A 34 -2.683 14.099 -24.094 1.00 22.12 H new ATOM 0 HG23 VAL A 34 -2.291 15.835 -24.070 1.00 22.12 H new ATOM 570 N GLY A 35 -0.074 16.086 -25.056 1.00 5.13 N ATOM 571 CA GLY A 35 0.796 17.200 -24.726 1.00 23.13 C ATOM 572 C GLY A 35 1.492 17.016 -23.392 1.00 5.52 C ATOM 573 O GLY A 35 1.381 15.963 -22.764 1.00 0.03 O ATOM 0 H GLY A 35 -0.201 15.405 -24.307 1.00 5.13 H new ATOM 0 HA2 GLY A 35 1.544 17.317 -25.510 1.00 23.13 H new ATOM 0 HA3 GLY A 35 0.211 18.120 -24.704 1.00 23.13 H new ATOM 577 N THR A 36 2.215 18.044 -22.957 1.00 4.01 N ATOM 578 CA THR A 36 2.935 17.991 -21.691 1.00 31.23 C ATOM 579 C THR A 36 2.913 19.344 -20.988 1.00 72.53 C ATOM 580 O THR A 36 2.799 20.387 -21.633 1.00 10.35 O ATOM 581 CB THR A 36 4.398 17.555 -21.894 1.00 22.50 C ATOM 582 OG1 THR A 36 4.784 17.754 -23.258 1.00 51.25 O ATOM 583 CG2 THR A 36 4.584 16.092 -21.518 1.00 1.31 C ATOM 0 H THR A 36 2.317 18.923 -23.464 1.00 4.01 H new ATOM 0 HA THR A 36 2.427 17.254 -21.070 1.00 31.23 H new ATOM 0 HB THR A 36 5.028 18.164 -21.246 1.00 22.50 H new ATOM 0 HG1 THR A 36 5.716 17.476 -23.378 1.00 51.25 H new ATOM 0 HG21 THR A 36 5.625 15.807 -21.670 1.00 1.31 H new ATOM 0 HG22 THR A 36 4.317 15.949 -20.471 1.00 1.31 H new ATOM 0 HG23 THR A 36 3.943 15.471 -22.144 1.00 1.31 H new ATOM 591 N LEU A 37 3.023 19.319 -19.665 1.00 11.53 N ATOM 592 CA LEU A 37 3.016 20.545 -18.874 1.00 44.40 C ATOM 593 C LEU A 37 4.284 20.658 -18.033 1.00 62.14 C ATOM 594 O LEU A 37 4.768 19.667 -17.486 1.00 14.34 O ATOM 595 CB LEU A 37 1.785 20.584 -17.968 1.00 13.53 C ATOM 596 CG LEU A 37 1.516 21.912 -17.258 1.00 33.23 C ATOM 597 CD1 LEU A 37 2.443 22.076 -16.063 1.00 72.25 C ATOM 598 CD2 LEU A 37 1.677 23.076 -18.224 1.00 71.14 C ATOM 0 H LEU A 37 3.118 18.464 -19.117 1.00 11.53 H new ATOM 0 HA LEU A 37 2.981 21.391 -19.561 1.00 44.40 H new ATOM 0 HB2 LEU A 37 0.910 20.331 -18.567 1.00 13.53 H new ATOM 0 HB3 LEU A 37 1.890 19.806 -17.212 1.00 13.53 H new ATOM 0 HG LEU A 37 0.488 21.906 -16.896 1.00 33.23 H new ATOM 0 HD11 LEU A 37 2.237 23.026 -15.570 1.00 72.25 H new ATOM 0 HD12 LEU A 37 2.278 21.260 -15.360 1.00 72.25 H new ATOM 0 HD13 LEU A 37 3.479 22.060 -16.401 1.00 72.25 H new ATOM 0 HD21 LEU A 37 1.482 24.012 -17.701 1.00 71.14 H new ATOM 0 HD22 LEU A 37 2.694 23.085 -18.617 1.00 71.14 H new ATOM 0 HD23 LEU A 37 0.971 22.966 -19.047 1.00 71.14 H new ATOM 610 N SER A 38 4.817 21.872 -17.934 1.00 74.24 N ATOM 611 CA SER A 38 6.029 22.114 -17.162 1.00 22.14 C ATOM 612 C SER A 38 5.999 23.500 -16.524 1.00 23.53 C ATOM 613 O SER A 38 5.662 24.487 -17.175 1.00 4.30 O ATOM 614 CB SER A 38 7.264 21.978 -18.054 1.00 60.54 C ATOM 615 OG SER A 38 8.322 22.798 -17.590 1.00 62.31 O ATOM 0 H SER A 38 4.428 22.703 -18.379 1.00 74.24 H new ATOM 0 HA SER A 38 6.079 21.368 -16.369 1.00 22.14 H new ATOM 0 HB2 SER A 38 7.589 20.938 -18.075 1.00 60.54 H new ATOM 0 HB3 SER A 38 7.009 22.253 -19.078 1.00 60.54 H new ATOM 0 HG SER A 38 9.100 22.691 -18.177 1.00 62.31 H new ATOM 621 N ASN A 39 6.355 23.563 -15.245 1.00 34.04 N ATOM 622 CA ASN A 39 6.368 24.827 -14.517 1.00 23.21 C ATOM 623 C ASN A 39 7.086 24.677 -13.179 1.00 65.42 C ATOM 624 O ASN A 39 7.719 23.655 -12.914 1.00 35.41 O ATOM 625 CB ASN A 39 4.939 25.323 -14.288 1.00 42.13 C ATOM 626 CG ASN A 39 4.216 24.529 -13.218 1.00 12.45 C ATOM 627 OD1 ASN A 39 3.728 25.090 -12.236 1.00 51.54 O ATOM 628 ND2 ASN A 39 4.144 23.216 -13.402 1.00 12.21 N ATOM 0 H ASN A 39 6.638 22.754 -14.692 1.00 34.04 H new ATOM 0 HA ASN A 39 6.907 25.558 -15.119 1.00 23.21 H new ATOM 0 HB2 ASN A 39 4.964 26.374 -14.002 1.00 42.13 H new ATOM 0 HB3 ASN A 39 4.381 25.260 -15.222 1.00 42.13 H new ATOM 0 HD21 ASN A 39 3.670 22.630 -12.715 1.00 12.21 H new ATOM 0 HD22 ASN A 39 4.563 22.793 -14.231 1.00 12.21 H new ATOM 635 N ALA A 40 6.984 25.702 -12.340 1.00 53.12 N ATOM 636 CA ALA A 40 7.621 25.683 -11.029 1.00 53.43 C ATOM 637 C ALA A 40 7.235 24.431 -10.249 1.00 50.14 C ATOM 638 O ALA A 40 8.033 23.901 -9.477 1.00 35.33 O ATOM 639 CB ALA A 40 7.249 26.932 -10.244 1.00 15.31 C ATOM 0 H ALA A 40 6.466 26.557 -12.545 1.00 53.12 H new ATOM 0 HA ALA A 40 8.701 25.668 -11.177 1.00 53.43 H new ATOM 0 HB1 ALA A 40 7.731 26.905 -9.267 1.00 15.31 H new ATOM 0 HB2 ALA A 40 7.581 27.816 -10.788 1.00 15.31 H new ATOM 0 HB3 ALA A 40 6.168 26.971 -10.114 1.00 15.31 H new ATOM 645 N GLN A 41 6.008 23.965 -10.457 1.00 33.12 N ATOM 646 CA GLN A 41 5.517 22.775 -9.771 1.00 51.41 C ATOM 647 C GLN A 41 6.337 21.548 -10.155 1.00 41.32 C ATOM 648 O GLN A 41 6.507 20.628 -9.357 1.00 2.03 O ATOM 649 CB GLN A 41 4.042 22.542 -10.103 1.00 20.13 C ATOM 650 CG GLN A 41 3.117 22.700 -8.907 1.00 1.43 C ATOM 651 CD GLN A 41 1.900 21.800 -8.986 1.00 64.44 C ATOM 652 OE1 GLN A 41 1.765 21.001 -9.914 1.00 32.23 O ATOM 653 NE2 GLN A 41 1.007 21.923 -8.012 1.00 10.31 N ATOM 0 H GLN A 41 5.336 24.392 -11.094 1.00 33.12 H new ATOM 0 HA GLN A 41 5.620 22.936 -8.698 1.00 51.41 H new ATOM 0 HB2 GLN A 41 3.738 23.242 -10.882 1.00 20.13 H new ATOM 0 HB3 GLN A 41 3.924 21.539 -10.513 1.00 20.13 H new ATOM 0 HG2 GLN A 41 3.669 22.478 -7.994 1.00 1.43 H new ATOM 0 HG3 GLN A 41 2.792 23.738 -8.839 1.00 1.43 H new ATOM 0 HE21 GLN A 41 1.159 22.598 -7.263 1.00 10.31 H new ATOM 0 HE22 GLN A 41 0.168 21.342 -8.013 1.00 10.31 H new ATOM 662 N GLY A 42 6.844 21.542 -11.385 1.00 34.03 N ATOM 663 CA GLY A 42 7.640 20.423 -11.853 1.00 75.43 C ATOM 664 C GLY A 42 7.301 20.026 -13.276 1.00 75.24 C ATOM 665 O GLY A 42 6.926 20.869 -14.092 1.00 63.24 O ATOM 0 H GLY A 42 6.717 22.292 -12.065 1.00 34.03 H new ATOM 0 HA2 GLY A 42 8.697 20.683 -11.793 1.00 75.43 H new ATOM 0 HA3 GLY A 42 7.484 19.569 -11.194 1.00 75.43 H new ATOM 669 N THR A 43 7.433 18.738 -13.578 1.00 32.44 N ATOM 670 CA THR A 43 7.141 18.231 -14.912 1.00 73.24 C ATOM 671 C THR A 43 5.940 17.292 -14.894 1.00 12.24 C ATOM 672 O THR A 43 5.846 16.405 -14.045 1.00 14.22 O ATOM 673 CB THR A 43 8.351 17.486 -15.508 1.00 14.22 C ATOM 674 OG1 THR A 43 9.566 18.008 -14.959 1.00 33.15 O ATOM 675 CG2 THR A 43 8.375 17.618 -17.023 1.00 42.41 C ATOM 0 H THR A 43 7.741 18.027 -12.915 1.00 32.44 H new ATOM 0 HA THR A 43 6.913 19.096 -15.535 1.00 73.24 H new ATOM 0 HB THR A 43 8.262 16.430 -15.253 1.00 14.22 H new ATOM 0 HG1 THR A 43 10.330 17.528 -15.341 1.00 33.15 H new ATOM 0 HG21 THR A 43 9.238 17.084 -17.421 1.00 42.41 H new ATOM 0 HG22 THR A 43 7.462 17.193 -17.440 1.00 42.41 H new ATOM 0 HG23 THR A 43 8.443 18.671 -17.295 1.00 42.41 H new ATOM 683 N PHE A 44 5.023 17.492 -15.835 1.00 4.31 N ATOM 684 CA PHE A 44 3.827 16.663 -15.926 1.00 42.20 C ATOM 685 C PHE A 44 3.526 16.301 -17.377 1.00 60.33 C ATOM 686 O PHE A 44 3.908 17.020 -18.300 1.00 21.20 O ATOM 687 CB PHE A 44 2.629 17.390 -15.311 1.00 23.42 C ATOM 688 CG PHE A 44 2.915 17.979 -13.959 1.00 43.23 C ATOM 689 CD1 PHE A 44 3.516 19.222 -13.844 1.00 50.52 C ATOM 690 CD2 PHE A 44 2.583 17.290 -12.804 1.00 11.41 C ATOM 691 CE1 PHE A 44 3.781 19.767 -12.602 1.00 32.33 C ATOM 692 CE2 PHE A 44 2.845 17.830 -11.559 1.00 30.24 C ATOM 693 CZ PHE A 44 3.444 19.070 -11.458 1.00 12.25 C ATOM 0 H PHE A 44 5.085 18.221 -16.545 1.00 4.31 H new ATOM 0 HA PHE A 44 4.009 15.743 -15.370 1.00 42.20 H new ATOM 0 HB2 PHE A 44 2.312 18.185 -15.985 1.00 23.42 H new ATOM 0 HB3 PHE A 44 1.796 16.693 -15.226 1.00 23.42 H new ATOM 0 HD1 PHE A 44 3.780 19.771 -14.735 1.00 50.52 H new ATOM 0 HD2 PHE A 44 2.114 16.320 -12.877 1.00 11.41 H new ATOM 0 HE1 PHE A 44 4.251 20.736 -12.526 1.00 32.33 H new ATOM 0 HE2 PHE A 44 2.581 17.283 -10.666 1.00 30.24 H new ATOM 0 HZ PHE A 44 3.649 19.494 -10.486 1.00 12.25 H new ATOM 703 N ALA A 45 2.839 15.180 -17.570 1.00 74.25 N ATOM 704 CA ALA A 45 2.485 14.722 -18.908 1.00 75.22 C ATOM 705 C ALA A 45 0.975 14.759 -19.120 1.00 12.25 C ATOM 706 O ALA A 45 0.201 14.605 -18.173 1.00 41.45 O ATOM 707 CB ALA A 45 3.018 13.316 -19.143 1.00 54.21 C ATOM 0 H ALA A 45 2.517 14.572 -16.817 1.00 74.25 H new ATOM 0 HA ALA A 45 2.944 15.398 -19.629 1.00 75.22 H new ATOM 0 HB1 ALA A 45 2.746 12.987 -20.146 1.00 54.21 H new ATOM 0 HB2 ALA A 45 4.103 13.317 -19.043 1.00 54.21 H new ATOM 0 HB3 ALA A 45 2.587 12.636 -18.409 1.00 54.21 H new ATOM 713 N LEU A 46 0.562 14.965 -20.365 1.00 75.11 N ATOM 714 CA LEU A 46 -0.857 15.023 -20.701 1.00 0.32 C ATOM 715 C LEU A 46 -1.206 13.994 -21.770 1.00 72.55 C ATOM 716 O LEU A 46 -0.748 14.086 -22.909 1.00 64.33 O ATOM 717 CB LEU A 46 -1.229 16.425 -21.186 1.00 12.53 C ATOM 718 CG LEU A 46 -0.541 17.588 -20.470 1.00 5.01 C ATOM 719 CD1 LEU A 46 -1.120 18.917 -20.930 1.00 62.33 C ATOM 720 CD2 LEU A 46 -0.674 17.440 -18.961 1.00 72.13 C ATOM 0 H LEU A 46 1.189 15.095 -21.159 1.00 75.11 H new ATOM 0 HA LEU A 46 -1.428 14.793 -19.801 1.00 0.32 H new ATOM 0 HB2 LEU A 46 -0.999 16.493 -22.249 1.00 12.53 H new ATOM 0 HB3 LEU A 46 -2.307 16.549 -21.084 1.00 12.53 H new ATOM 0 HG LEU A 46 0.519 17.569 -20.725 1.00 5.01 H new ATOM 0 HD11 LEU A 46 -0.618 19.732 -20.409 1.00 62.33 H new ATOM 0 HD12 LEU A 46 -0.971 19.026 -22.004 1.00 62.33 H new ATOM 0 HD13 LEU A 46 -2.186 18.946 -20.706 1.00 62.33 H new ATOM 0 HD21 LEU A 46 -0.178 18.277 -18.468 1.00 72.13 H new ATOM 0 HD22 LEU A 46 -1.729 17.431 -18.688 1.00 72.13 H new ATOM 0 HD23 LEU A 46 -0.210 16.506 -18.645 1.00 72.13 H new ATOM 732 N VAL A 47 -2.023 13.013 -21.397 1.00 1.40 N ATOM 733 CA VAL A 47 -2.437 11.968 -22.325 1.00 21.21 C ATOM 734 C VAL A 47 -3.951 11.962 -22.507 1.00 4.05 C ATOM 735 O VAL A 47 -4.691 12.461 -21.659 1.00 1.12 O ATOM 736 CB VAL A 47 -1.983 10.577 -21.842 1.00 54.32 C ATOM 737 CG1 VAL A 47 -2.821 10.125 -20.656 1.00 25.53 C ATOM 738 CG2 VAL A 47 -2.063 9.568 -22.977 1.00 63.34 C ATOM 0 H VAL A 47 -2.411 12.921 -20.458 1.00 1.40 H new ATOM 0 HA VAL A 47 -1.961 12.186 -23.281 1.00 21.21 H new ATOM 0 HB VAL A 47 -0.944 10.644 -21.518 1.00 54.32 H new ATOM 0 HG11 VAL A 47 -2.486 9.141 -20.328 1.00 25.53 H new ATOM 0 HG12 VAL A 47 -2.709 10.837 -19.839 1.00 25.53 H new ATOM 0 HG13 VAL A 47 -3.869 10.073 -20.950 1.00 25.53 H new ATOM 0 HG21 VAL A 47 -1.739 8.591 -22.619 1.00 63.34 H new ATOM 0 HG22 VAL A 47 -3.091 9.501 -23.333 1.00 63.34 H new ATOM 0 HG23 VAL A 47 -1.416 9.888 -23.794 1.00 63.34 H new ATOM 748 N LYS A 48 -4.405 11.393 -23.618 1.00 13.31 N ATOM 749 CA LYS A 48 -5.832 11.320 -23.912 1.00 25.30 C ATOM 750 C LYS A 48 -6.291 9.869 -24.018 1.00 11.12 C ATOM 751 O LYS A 48 -5.580 9.020 -24.553 1.00 50.14 O ATOM 752 CB LYS A 48 -6.144 12.061 -25.214 1.00 3.11 C ATOM 753 CG LYS A 48 -7.611 12.014 -25.604 1.00 21.11 C ATOM 754 CD LYS A 48 -7.810 12.367 -27.068 1.00 73.23 C ATOM 755 CE LYS A 48 -9.169 11.906 -27.573 1.00 12.13 C ATOM 756 NZ LYS A 48 -9.268 11.990 -29.056 1.00 63.53 N ATOM 0 H LYS A 48 -3.806 10.975 -24.330 1.00 13.31 H new ATOM 0 HA LYS A 48 -6.372 11.795 -23.093 1.00 25.30 H new ATOM 0 HB2 LYS A 48 -5.837 13.102 -25.112 1.00 3.11 H new ATOM 0 HB3 LYS A 48 -5.549 11.630 -26.019 1.00 3.11 H new ATOM 0 HG2 LYS A 48 -8.008 11.017 -25.412 1.00 21.11 H new ATOM 0 HG3 LYS A 48 -8.176 12.707 -24.981 1.00 21.11 H new ATOM 0 HD2 LYS A 48 -7.719 13.445 -27.199 1.00 73.23 H new ATOM 0 HD3 LYS A 48 -7.023 11.906 -27.665 1.00 73.23 H new ATOM 0 HE2 LYS A 48 -9.345 10.878 -27.255 1.00 12.13 H new ATOM 0 HE3 LYS A 48 -9.950 12.517 -27.122 1.00 12.13 H new ATOM 0 HZ1 LYS A 48 -10.209 11.667 -29.360 1.00 63.53 H new ATOM 0 HZ2 LYS A 48 -9.126 12.975 -29.358 1.00 63.53 H new ATOM 0 HZ3 LYS A 48 -8.539 11.387 -29.487 1.00 63.53 H new ATOM 770 N GLY A 49 -7.486 9.593 -23.505 1.00 32.55 N ATOM 771 CA GLY A 49 -8.020 8.244 -23.553 1.00 52.01 C ATOM 772 C GLY A 49 -9.360 8.126 -22.854 1.00 71.42 C ATOM 773 O GLY A 49 -10.202 9.017 -22.957 1.00 11.12 O ATOM 0 H GLY A 49 -8.094 10.279 -23.057 1.00 32.55 H new ATOM 0 HA2 GLY A 49 -8.128 7.936 -24.593 1.00 52.01 H new ATOM 0 HA3 GLY A 49 -7.310 7.559 -23.089 1.00 52.01 H new ATOM 777 N ALA A 50 -9.559 7.021 -22.143 1.00 20.23 N ATOM 778 CA ALA A 50 -10.806 6.789 -21.424 1.00 42.20 C ATOM 779 C ALA A 50 -11.161 7.982 -20.542 1.00 70.45 C ATOM 780 O ALA A 50 -10.428 8.320 -19.614 1.00 34.53 O ATOM 781 CB ALA A 50 -10.705 5.523 -20.587 1.00 22.23 C ATOM 0 H ALA A 50 -8.873 6.272 -22.049 1.00 20.23 H new ATOM 0 HA ALA A 50 -11.602 6.663 -22.158 1.00 42.20 H new ATOM 0 HB1 ALA A 50 -11.643 5.362 -20.056 1.00 22.23 H new ATOM 0 HB2 ALA A 50 -10.506 4.672 -21.238 1.00 22.23 H new ATOM 0 HB3 ALA A 50 -9.893 5.627 -19.867 1.00 22.23 H new ATOM 787 N GLY A 51 -12.291 8.617 -20.840 1.00 63.45 N ATOM 788 CA GLY A 51 -12.722 9.765 -20.066 1.00 15.31 C ATOM 789 C GLY A 51 -12.408 11.079 -20.753 1.00 2.31 C ATOM 790 O GLY A 51 -13.163 12.044 -20.638 1.00 44.14 O ATOM 0 H GLY A 51 -12.915 8.356 -21.604 1.00 63.45 H new ATOM 0 HA2 GLY A 51 -13.796 9.698 -19.890 1.00 15.31 H new ATOM 0 HA3 GLY A 51 -12.237 9.744 -19.090 1.00 15.31 H new ATOM 794 N GLY A 52 -11.288 11.118 -21.469 1.00 2.14 N ATOM 795 CA GLY A 52 -10.894 12.329 -22.164 1.00 42.15 C ATOM 796 C GLY A 52 -9.410 12.612 -22.042 1.00 24.54 C ATOM 797 O GLY A 52 -8.607 12.110 -22.829 1.00 54.14 O ATOM 0 H GLY A 52 -10.647 10.332 -21.580 1.00 2.14 H new ATOM 0 HA2 GLY A 52 -11.158 12.242 -23.218 1.00 42.15 H new ATOM 0 HA3 GLY A 52 -11.456 13.173 -21.763 1.00 42.15 H new ATOM 801 N VAL A 53 -9.042 13.419 -21.051 1.00 73.43 N ATOM 802 CA VAL A 53 -7.644 13.768 -20.828 1.00 74.12 C ATOM 803 C VAL A 53 -7.210 13.417 -19.410 1.00 21.43 C ATOM 804 O VAL A 53 -7.946 13.645 -18.449 1.00 24.31 O ATOM 805 CB VAL A 53 -7.395 15.268 -21.073 1.00 63.23 C ATOM 806 CG1 VAL A 53 -7.314 15.559 -22.564 1.00 51.30 C ATOM 807 CG2 VAL A 53 -8.483 16.103 -20.416 1.00 52.14 C ATOM 0 H VAL A 53 -9.693 13.843 -20.390 1.00 73.43 H new ATOM 0 HA VAL A 53 -7.055 13.188 -21.539 1.00 74.12 H new ATOM 0 HB VAL A 53 -6.440 15.539 -20.622 1.00 63.23 H new ATOM 0 HG11 VAL A 53 -7.138 16.624 -22.718 1.00 51.30 H new ATOM 0 HG12 VAL A 53 -6.495 14.989 -23.002 1.00 51.30 H new ATOM 0 HG13 VAL A 53 -8.251 15.274 -23.042 1.00 51.30 H new ATOM 0 HG21 VAL A 53 -8.291 17.160 -20.599 1.00 52.14 H new ATOM 0 HG22 VAL A 53 -9.452 15.832 -20.835 1.00 52.14 H new ATOM 0 HG23 VAL A 53 -8.487 15.916 -19.342 1.00 52.14 H new ATOM 817 N HIS A 54 -6.009 12.860 -19.285 1.00 40.32 N ATOM 818 CA HIS A 54 -5.475 12.478 -17.983 1.00 1.12 C ATOM 819 C HIS A 54 -4.063 13.025 -17.793 1.00 14.24 C ATOM 820 O HIS A 54 -3.189 12.819 -18.634 1.00 62.01 O ATOM 821 CB HIS A 54 -5.468 10.956 -17.838 1.00 13.15 C ATOM 822 CG HIS A 54 -6.341 10.256 -18.833 1.00 31.42 C ATOM 823 ND1 HIS A 54 -5.870 9.294 -19.702 1.00 50.40 N ATOM 824 CD2 HIS A 54 -7.664 10.380 -19.093 1.00 4.11 C ATOM 825 CE1 HIS A 54 -6.865 8.859 -20.455 1.00 5.21 C ATOM 826 NE2 HIS A 54 -7.964 9.502 -20.105 1.00 31.11 N ATOM 0 H HIS A 54 -5.388 12.663 -20.070 1.00 40.32 H new ATOM 0 HA HIS A 54 -6.118 12.906 -17.214 1.00 1.12 H new ATOM 0 HB2 HIS A 54 -4.446 10.594 -17.946 1.00 13.15 H new ATOM 0 HB3 HIS A 54 -5.795 10.694 -16.832 1.00 13.15 H new ATOM 0 HD2 HIS A 54 -8.355 11.046 -18.597 1.00 4.11 H new ATOM 0 HE1 HIS A 54 -6.792 8.106 -21.226 1.00 5.21 H new ATOM 0 HE2 HIS A 54 -8.886 9.368 -20.519 1.00 31.11 H new ATOM 834 N ARG A 55 -3.849 13.724 -16.682 1.00 74.25 N ATOM 835 CA ARG A 55 -2.545 14.302 -16.383 1.00 40.23 C ATOM 836 C ARG A 55 -1.786 13.442 -15.377 1.00 75.52 C ATOM 837 O ARG A 55 -2.299 13.126 -14.303 1.00 2.50 O ATOM 838 CB ARG A 55 -2.706 15.722 -15.837 1.00 31.01 C ATOM 839 CG ARG A 55 -3.414 15.781 -14.493 1.00 74.24 C ATOM 840 CD ARG A 55 -3.782 17.208 -14.120 1.00 13.23 C ATOM 841 NE ARG A 55 -5.224 17.379 -13.963 1.00 33.52 N ATOM 842 CZ ARG A 55 -5.786 18.485 -13.490 1.00 14.14 C ATOM 843 NH1 ARG A 55 -5.032 19.514 -13.129 1.00 41.02 N ATOM 844 NH2 ARG A 55 -7.106 18.564 -13.377 1.00 11.34 N ATOM 0 H ARG A 55 -4.562 13.903 -15.975 1.00 74.25 H new ATOM 0 HA ARG A 55 -1.971 14.339 -17.309 1.00 40.23 H new ATOM 0 HB2 ARG A 55 -1.721 16.179 -15.740 1.00 31.01 H new ATOM 0 HB3 ARG A 55 -3.264 16.319 -16.559 1.00 31.01 H new ATOM 0 HG2 ARG A 55 -4.315 15.169 -14.528 1.00 74.24 H new ATOM 0 HG3 ARG A 55 -2.770 15.357 -13.722 1.00 74.24 H new ATOM 0 HD2 ARG A 55 -3.282 17.480 -13.191 1.00 13.23 H new ATOM 0 HD3 ARG A 55 -3.418 17.889 -14.889 1.00 13.23 H new ATOM 0 HE ARG A 55 -5.833 16.606 -14.232 1.00 33.52 H new ATOM 0 HH11 ARG A 55 -4.017 19.457 -13.214 1.00 41.02 H new ATOM 0 HH12 ARG A 55 -5.467 20.362 -12.766 1.00 41.02 H new ATOM 0 HH21 ARG A 55 -7.690 17.775 -13.654 1.00 11.34 H new ATOM 0 HH22 ARG A 55 -7.537 19.414 -13.013 1.00 11.34 H new ATOM 858 N VAL A 56 -0.563 13.064 -15.733 1.00 63.21 N ATOM 859 CA VAL A 56 0.267 12.240 -14.862 1.00 11.23 C ATOM 860 C VAL A 56 1.734 12.646 -14.955 1.00 75.22 C ATOM 861 O VAL A 56 2.221 13.006 -16.027 1.00 4.15 O ATOM 862 CB VAL A 56 0.136 10.746 -15.210 1.00 73.34 C ATOM 863 CG1 VAL A 56 -1.229 10.218 -14.794 1.00 25.34 C ATOM 864 CG2 VAL A 56 0.371 10.523 -16.697 1.00 4.04 C ATOM 0 H VAL A 56 -0.124 13.315 -16.619 1.00 63.21 H new ATOM 0 HA VAL A 56 -0.087 12.400 -13.844 1.00 11.23 H new ATOM 0 HB VAL A 56 0.897 10.194 -14.658 1.00 73.34 H new ATOM 0 HG11 VAL A 56 -1.303 9.161 -15.048 1.00 25.34 H new ATOM 0 HG12 VAL A 56 -1.355 10.343 -13.718 1.00 25.34 H new ATOM 0 HG13 VAL A 56 -2.008 10.772 -15.317 1.00 25.34 H new ATOM 0 HG21 VAL A 56 0.275 9.462 -16.925 1.00 4.04 H new ATOM 0 HG22 VAL A 56 -0.366 11.086 -17.270 1.00 4.04 H new ATOM 0 HG23 VAL A 56 1.373 10.862 -16.962 1.00 4.04 H new ATOM 874 N ARG A 57 2.432 12.584 -13.826 1.00 51.11 N ATOM 875 CA ARG A 57 3.844 12.946 -13.780 1.00 75.32 C ATOM 876 C ARG A 57 4.687 11.780 -13.272 1.00 41.12 C ATOM 877 O ARG A 57 4.161 10.717 -12.942 1.00 63.12 O ATOM 878 CB ARG A 57 4.050 14.168 -12.883 1.00 70.42 C ATOM 879 CG ARG A 57 3.276 14.102 -11.577 1.00 31.22 C ATOM 880 CD ARG A 57 3.988 14.862 -10.469 1.00 33.14 C ATOM 881 NE ARG A 57 3.113 15.111 -9.326 1.00 54.23 N ATOM 882 CZ ARG A 57 2.710 14.163 -8.488 1.00 61.51 C ATOM 883 NH1 ARG A 57 3.103 12.908 -8.663 1.00 54.32 N ATOM 884 NH2 ARG A 57 1.914 14.468 -7.472 1.00 33.14 N ATOM 0 H ARG A 57 2.043 12.287 -12.931 1.00 51.11 H new ATOM 0 HA ARG A 57 4.165 13.190 -14.793 1.00 75.32 H new ATOM 0 HB2 ARG A 57 5.112 14.270 -12.661 1.00 70.42 H new ATOM 0 HB3 ARG A 57 3.750 15.063 -13.428 1.00 70.42 H new ATOM 0 HG2 ARG A 57 2.279 14.518 -11.722 1.00 31.22 H new ATOM 0 HG3 ARG A 57 3.147 13.061 -11.281 1.00 31.22 H new ATOM 0 HD2 ARG A 57 4.859 14.294 -10.142 1.00 33.14 H new ATOM 0 HD3 ARG A 57 4.355 15.812 -10.859 1.00 33.14 H new ATOM 0 HE ARG A 57 2.794 16.066 -9.163 1.00 54.23 H new ATOM 0 HH11 ARG A 57 3.716 12.670 -9.443 1.00 54.32 H new ATOM 0 HH12 ARG A 57 2.792 12.182 -8.018 1.00 54.32 H new ATOM 0 HH21 ARG A 57 1.610 15.432 -7.333 1.00 33.14 H new ATOM 0 HH22 ARG A 57 1.605 13.739 -6.829 1.00 33.14 H new ATOM 898 N VAL A 58 5.999 11.987 -13.213 1.00 12.33 N ATOM 899 CA VAL A 58 6.915 10.955 -12.745 1.00 24.53 C ATOM 900 C VAL A 58 6.440 10.354 -11.427 1.00 33.32 C ATOM 901 O VAL A 58 6.342 11.047 -10.415 1.00 43.35 O ATOM 902 CB VAL A 58 8.340 11.511 -12.558 1.00 74.32 C ATOM 903 CG1 VAL A 58 9.286 10.412 -12.099 1.00 1.34 C ATOM 904 CG2 VAL A 58 8.835 12.148 -13.847 1.00 42.15 C ATOM 0 H VAL A 58 6.451 12.861 -13.484 1.00 12.33 H new ATOM 0 HA VAL A 58 6.933 10.179 -13.510 1.00 24.53 H new ATOM 0 HB VAL A 58 8.314 12.280 -11.786 1.00 74.32 H new ATOM 0 HG11 VAL A 58 10.287 10.823 -11.972 1.00 1.34 H new ATOM 0 HG12 VAL A 58 8.938 10.005 -11.149 1.00 1.34 H new ATOM 0 HG13 VAL A 58 9.312 9.619 -12.846 1.00 1.34 H new ATOM 0 HG21 VAL A 58 9.843 12.536 -13.698 1.00 42.15 H new ATOM 0 HG22 VAL A 58 8.847 11.401 -14.641 1.00 42.15 H new ATOM 0 HG23 VAL A 58 8.170 12.965 -14.128 1.00 42.15 H new ATOM 914 N GLY A 59 6.144 9.057 -11.446 1.00 5.30 N ATOM 915 CA GLY A 59 5.683 8.384 -10.246 1.00 75.13 C ATOM 916 C GLY A 59 4.235 7.947 -10.348 1.00 33.22 C ATOM 917 O GLY A 59 3.800 7.044 -9.633 1.00 22.24 O ATOM 0 H GLY A 59 6.215 8.461 -12.271 1.00 5.30 H new ATOM 0 HA2 GLY A 59 6.310 7.513 -10.058 1.00 75.13 H new ATOM 0 HA3 GLY A 59 5.799 9.051 -9.392 1.00 75.13 H new ATOM 921 N ASP A 60 3.485 8.589 -11.237 1.00 45.20 N ATOM 922 CA ASP A 60 2.077 8.262 -11.429 1.00 44.12 C ATOM 923 C ASP A 60 1.923 6.921 -12.139 1.00 21.40 C ATOM 924 O ASP A 60 2.892 6.368 -12.660 1.00 73.25 O ATOM 925 CB ASP A 60 1.382 9.362 -12.233 1.00 75.42 C ATOM 926 CG ASP A 60 1.014 10.559 -11.379 1.00 31.10 C ATOM 927 OD1 ASP A 60 1.819 10.930 -10.499 1.00 11.00 O ATOM 928 OD2 ASP A 60 -0.078 11.125 -11.591 1.00 14.40 O ATOM 0 H ASP A 60 3.829 9.339 -11.836 1.00 45.20 H new ATOM 0 HA ASP A 60 1.609 8.189 -10.448 1.00 44.12 H new ATOM 0 HB2 ASP A 60 2.036 9.685 -13.043 1.00 75.42 H new ATOM 0 HB3 ASP A 60 0.481 8.957 -12.693 1.00 75.42 H new ATOM 933 N TYR A 61 0.700 6.402 -12.154 1.00 1.42 N ATOM 934 CA TYR A 61 0.420 5.124 -12.796 1.00 74.12 C ATOM 935 C TYR A 61 -0.810 5.224 -13.694 1.00 62.42 C ATOM 936 O TYR A 61 -1.776 5.915 -13.370 1.00 1.51 O ATOM 937 CB TYR A 61 0.208 4.035 -11.743 1.00 4.34 C ATOM 938 CG TYR A 61 1.299 3.985 -10.697 1.00 23.11 C ATOM 939 CD1 TYR A 61 1.275 4.834 -9.597 1.00 71.24 C ATOM 940 CD2 TYR A 61 2.354 3.087 -10.808 1.00 43.43 C ATOM 941 CE1 TYR A 61 2.270 4.792 -8.640 1.00 60.42 C ATOM 942 CE2 TYR A 61 3.353 3.037 -9.855 1.00 50.11 C ATOM 943 CZ TYR A 61 3.307 3.892 -8.773 1.00 73.53 C ATOM 944 OH TYR A 61 4.299 3.845 -7.821 1.00 41.41 O ATOM 0 H TYR A 61 -0.113 6.847 -11.729 1.00 1.42 H new ATOM 0 HA TYR A 61 1.279 4.861 -13.413 1.00 74.12 H new ATOM 0 HB2 TYR A 61 -0.750 4.200 -11.250 1.00 4.34 H new ATOM 0 HB3 TYR A 61 0.148 3.067 -12.240 1.00 4.34 H new ATOM 0 HD1 TYR A 61 0.464 5.539 -9.489 1.00 71.24 H new ATOM 0 HD2 TYR A 61 2.394 2.417 -11.654 1.00 43.43 H new ATOM 0 HE1 TYR A 61 2.236 5.460 -7.792 1.00 60.42 H new ATOM 0 HE2 TYR A 61 4.165 2.333 -9.956 1.00 50.11 H new ATOM 0 HH TYR A 61 4.953 3.156 -8.063 1.00 41.41 H new ATOM 954 N LEU A 62 -0.766 4.527 -14.825 1.00 15.15 N ATOM 955 CA LEU A 62 -1.876 4.535 -15.771 1.00 54.11 C ATOM 956 C LEU A 62 -1.917 3.238 -16.573 1.00 53.43 C ATOM 957 O LEU A 62 -0.890 2.595 -16.786 1.00 13.23 O ATOM 958 CB LEU A 62 -1.756 5.730 -16.718 1.00 54.41 C ATOM 959 CG LEU A 62 -0.335 6.146 -17.097 1.00 44.31 C ATOM 960 CD1 LEU A 62 0.314 5.090 -17.978 1.00 75.05 C ATOM 961 CD2 LEU A 62 -0.343 7.497 -17.798 1.00 61.23 C ATOM 0 H LEU A 62 0.026 3.950 -15.108 1.00 15.15 H new ATOM 0 HA LEU A 62 -2.803 4.620 -15.205 1.00 54.11 H new ATOM 0 HB2 LEU A 62 -2.302 5.499 -17.633 1.00 54.41 H new ATOM 0 HB3 LEU A 62 -2.253 6.584 -16.258 1.00 54.41 H new ATOM 0 HG LEU A 62 0.252 6.237 -16.183 1.00 44.31 H new ATOM 0 HD11 LEU A 62 1.325 5.404 -18.238 1.00 75.05 H new ATOM 0 HD12 LEU A 62 0.355 4.143 -17.440 1.00 75.05 H new ATOM 0 HD13 LEU A 62 -0.272 4.965 -18.889 1.00 75.05 H new ATOM 0 HD21 LEU A 62 0.677 7.777 -18.060 1.00 61.23 H new ATOM 0 HD22 LEU A 62 -0.946 7.433 -18.704 1.00 61.23 H new ATOM 0 HD23 LEU A 62 -0.766 8.250 -17.133 1.00 61.23 H new ATOM 973 N GLY A 63 -3.112 2.861 -17.019 1.00 11.14 N ATOM 974 CA GLY A 63 -3.264 1.644 -17.794 1.00 52.24 C ATOM 975 C GLY A 63 -3.390 0.412 -16.921 1.00 23.30 C ATOM 976 O GLY A 63 -3.040 0.441 -15.741 1.00 31.21 O ATOM 0 H GLY A 63 -3.977 3.377 -16.857 1.00 11.14 H new ATOM 0 HA2 GLY A 63 -4.147 1.728 -18.427 1.00 52.24 H new ATOM 0 HA3 GLY A 63 -2.406 1.530 -18.457 1.00 52.24 H new ATOM 980 N ARG A 64 -3.892 -0.674 -17.501 1.00 4.14 N ATOM 981 CA ARG A 64 -4.065 -1.921 -16.766 1.00 72.21 C ATOM 982 C ARG A 64 -2.721 -2.601 -16.524 1.00 62.31 C ATOM 983 O ARG A 64 -2.619 -3.528 -15.722 1.00 24.13 O ATOM 984 CB ARG A 64 -4.995 -2.864 -17.532 1.00 51.22 C ATOM 985 CG ARG A 64 -6.430 -2.843 -17.032 1.00 31.54 C ATOM 986 CD ARG A 64 -7.323 -3.753 -17.862 1.00 4.14 C ATOM 987 NE ARG A 64 -6.741 -5.081 -18.035 1.00 23.23 N ATOM 988 CZ ARG A 64 -7.202 -5.979 -18.898 1.00 51.23 C ATOM 989 NH1 ARG A 64 -8.246 -5.692 -19.664 1.00 0.33 N ATOM 990 NH2 ARG A 64 -6.619 -7.166 -18.998 1.00 63.40 N ATOM 0 H ARG A 64 -4.186 -0.715 -18.477 1.00 4.14 H new ATOM 0 HA ARG A 64 -4.512 -1.685 -15.800 1.00 72.21 H new ATOM 0 HB2 ARG A 64 -4.983 -2.594 -18.588 1.00 51.22 H new ATOM 0 HB3 ARG A 64 -4.608 -3.881 -17.459 1.00 51.22 H new ATOM 0 HG2 ARG A 64 -6.458 -3.158 -15.989 1.00 31.54 H new ATOM 0 HG3 ARG A 64 -6.814 -1.824 -17.068 1.00 31.54 H new ATOM 0 HD2 ARG A 64 -8.296 -3.844 -17.380 1.00 4.14 H new ATOM 0 HD3 ARG A 64 -7.492 -3.301 -18.839 1.00 4.14 H new ATOM 0 HE ARG A 64 -5.936 -5.333 -17.461 1.00 23.23 H new ATOM 0 HH11 ARG A 64 -8.697 -4.780 -19.591 1.00 0.33 H new ATOM 0 HH12 ARG A 64 -8.598 -6.383 -20.326 1.00 0.33 H new ATOM 0 HH21 ARG A 64 -5.815 -7.390 -18.412 1.00 63.40 H new ATOM 0 HH22 ARG A 64 -6.974 -7.854 -19.661 1.00 63.40 H new ATOM 1004 N ASN A 65 -1.692 -2.134 -17.225 1.00 15.15 N ATOM 1005 CA ASN A 65 -0.355 -2.698 -17.087 1.00 5.43 C ATOM 1006 C ASN A 65 0.456 -1.927 -16.049 1.00 21.21 C ATOM 1007 O ASN A 65 1.686 -1.990 -16.035 1.00 34.31 O ATOM 1008 CB ASN A 65 0.371 -2.678 -18.434 1.00 32.53 C ATOM 1009 CG ASN A 65 -0.415 -3.381 -19.524 1.00 33.13 C ATOM 1010 OD1 ASN A 65 -0.710 -2.797 -20.567 1.00 21.13 O ATOM 1011 ND2 ASN A 65 -0.759 -4.642 -19.286 1.00 52.51 N ATOM 0 H ASN A 65 -1.759 -1.367 -17.894 1.00 15.15 H new ATOM 0 HA ASN A 65 -0.456 -3.730 -16.751 1.00 5.43 H new ATOM 0 HB2 ASN A 65 0.554 -1.645 -18.730 1.00 32.53 H new ATOM 0 HB3 ASN A 65 1.345 -3.156 -18.326 1.00 32.53 H new ATOM 0 HD21 ASN A 65 -1.289 -5.166 -19.982 1.00 52.51 H new ATOM 0 HD22 ASN A 65 -0.493 -5.086 -18.407 1.00 52.51 H new ATOM 1018 N ASP A 66 -0.241 -1.201 -15.182 1.00 21.31 N ATOM 1019 CA ASP A 66 0.413 -0.420 -14.139 1.00 3.41 C ATOM 1020 C ASP A 66 1.514 0.458 -14.727 1.00 61.40 C ATOM 1021 O ASP A 66 2.621 0.522 -14.195 1.00 3.22 O ATOM 1022 CB ASP A 66 0.997 -1.344 -13.070 1.00 25.14 C ATOM 1023 CG ASP A 66 -0.046 -1.806 -12.071 1.00 64.22 C ATOM 1024 OD1 ASP A 66 -1.244 -1.535 -12.296 1.00 1.20 O ATOM 1025 OD2 ASP A 66 0.336 -2.440 -11.065 1.00 42.14 O ATOM 0 H ASP A 66 -1.259 -1.137 -15.181 1.00 21.31 H new ATOM 0 HA ASP A 66 -0.336 0.226 -13.680 1.00 3.41 H new ATOM 0 HB2 ASP A 66 1.445 -2.213 -13.551 1.00 25.14 H new ATOM 0 HB3 ASP A 66 1.796 -0.824 -12.542 1.00 25.14 H new ATOM 1030 N GLY A 67 1.201 1.131 -15.830 1.00 44.30 N ATOM 1031 CA GLY A 67 2.175 1.995 -16.473 1.00 33.40 C ATOM 1032 C GLY A 67 2.678 3.088 -15.552 1.00 12.13 C ATOM 1033 O GLY A 67 2.037 4.129 -15.402 1.00 72.43 O ATOM 0 H GLY A 67 0.291 1.094 -16.290 1.00 44.30 H new ATOM 0 HA2 GLY A 67 3.019 1.395 -16.814 1.00 33.40 H new ATOM 0 HA3 GLY A 67 1.727 2.447 -17.358 1.00 33.40 H new ATOM 1037 N LYS A 68 3.828 2.853 -14.930 1.00 63.11 N ATOM 1038 CA LYS A 68 4.418 3.825 -14.018 1.00 2.24 C ATOM 1039 C LYS A 68 5.339 4.784 -14.765 1.00 64.12 C ATOM 1040 O LYS A 68 6.289 4.361 -15.425 1.00 74.22 O ATOM 1041 CB LYS A 68 5.198 3.110 -12.912 1.00 31.01 C ATOM 1042 CG LYS A 68 5.846 4.055 -11.915 1.00 53.52 C ATOM 1043 CD LYS A 68 6.958 3.371 -11.139 1.00 22.10 C ATOM 1044 CE LYS A 68 8.170 3.106 -12.019 1.00 22.41 C ATOM 1045 NZ LYS A 68 9.306 2.536 -11.242 1.00 12.42 N ATOM 0 H LYS A 68 4.371 1.996 -15.041 1.00 63.11 H new ATOM 0 HA LYS A 68 3.609 4.402 -13.569 1.00 2.24 H new ATOM 0 HB2 LYS A 68 4.524 2.440 -12.379 1.00 31.01 H new ATOM 0 HB3 LYS A 68 5.970 2.490 -13.367 1.00 31.01 H new ATOM 0 HG2 LYS A 68 6.248 4.921 -12.441 1.00 53.52 H new ATOM 0 HG3 LYS A 68 5.092 4.426 -11.221 1.00 53.52 H new ATOM 0 HD2 LYS A 68 7.250 3.994 -10.294 1.00 22.10 H new ATOM 0 HD3 LYS A 68 6.592 2.430 -10.729 1.00 22.10 H new ATOM 0 HE2 LYS A 68 7.895 2.418 -12.818 1.00 22.41 H new ATOM 0 HE3 LYS A 68 8.485 4.036 -12.493 1.00 22.41 H new ATOM 0 HZ1 LYS A 68 10.112 2.370 -11.877 1.00 12.42 H new ATOM 0 HZ2 LYS A 68 9.586 3.204 -10.495 1.00 12.42 H new ATOM 0 HZ3 LYS A 68 9.014 1.636 -10.810 1.00 12.42 H new ATOM 1059 N VAL A 69 5.054 6.078 -14.656 1.00 60.41 N ATOM 1060 CA VAL A 69 5.859 7.097 -15.320 1.00 35.53 C ATOM 1061 C VAL A 69 7.242 7.203 -14.687 1.00 74.33 C ATOM 1062 O VAL A 69 7.370 7.422 -13.483 1.00 23.13 O ATOM 1063 CB VAL A 69 5.174 8.475 -15.266 1.00 1.34 C ATOM 1064 CG1 VAL A 69 6.009 9.515 -15.998 1.00 14.01 C ATOM 1065 CG2 VAL A 69 3.772 8.397 -15.850 1.00 71.12 C ATOM 0 H VAL A 69 4.272 6.445 -14.114 1.00 60.41 H new ATOM 0 HA VAL A 69 5.962 6.791 -16.361 1.00 35.53 H new ATOM 0 HB VAL A 69 5.091 8.779 -14.223 1.00 1.34 H new ATOM 0 HG11 VAL A 69 5.509 10.483 -15.949 1.00 14.01 H new ATOM 0 HG12 VAL A 69 6.990 9.589 -15.529 1.00 14.01 H new ATOM 0 HG13 VAL A 69 6.126 9.219 -17.041 1.00 14.01 H new ATOM 0 HG21 VAL A 69 3.303 9.380 -15.803 1.00 71.12 H new ATOM 0 HG22 VAL A 69 3.828 8.071 -16.888 1.00 71.12 H new ATOM 0 HG23 VAL A 69 3.178 7.684 -15.277 1.00 71.12 H new ATOM 1075 N VAL A 70 8.275 7.046 -15.508 1.00 43.33 N ATOM 1076 CA VAL A 70 9.650 7.126 -15.030 1.00 4.10 C ATOM 1077 C VAL A 70 10.395 8.282 -15.689 1.00 62.40 C ATOM 1078 O VAL A 70 11.433 8.725 -15.199 1.00 62.44 O ATOM 1079 CB VAL A 70 10.415 5.817 -15.299 1.00 62.43 C ATOM 1080 CG1 VAL A 70 9.589 4.616 -14.862 1.00 45.24 C ATOM 1081 CG2 VAL A 70 10.788 5.711 -16.770 1.00 60.33 C ATOM 0 H VAL A 70 8.186 6.863 -16.507 1.00 43.33 H new ATOM 0 HA VAL A 70 9.601 7.295 -13.954 1.00 4.10 H new ATOM 0 HB VAL A 70 11.335 5.827 -14.714 1.00 62.43 H new ATOM 0 HG11 VAL A 70 10.146 3.700 -15.060 1.00 45.24 H new ATOM 0 HG12 VAL A 70 9.377 4.689 -13.795 1.00 45.24 H new ATOM 0 HG13 VAL A 70 8.651 4.598 -15.417 1.00 45.24 H new ATOM 0 HG21 VAL A 70 11.328 4.780 -16.942 1.00 60.33 H new ATOM 0 HG22 VAL A 70 9.883 5.723 -17.377 1.00 60.33 H new ATOM 0 HG23 VAL A 70 11.421 6.554 -17.046 1.00 60.33 H new ATOM 1091 N GLY A 71 9.857 8.767 -16.804 1.00 31.50 N ATOM 1092 CA GLY A 71 10.484 9.867 -17.513 1.00 14.15 C ATOM 1093 C GLY A 71 9.507 10.621 -18.393 1.00 12.12 C ATOM 1094 O GLY A 71 8.654 10.017 -19.044 1.00 32.13 O ATOM 0 H GLY A 71 8.998 8.418 -17.229 1.00 31.50 H new ATOM 0 HA2 GLY A 71 10.925 10.555 -16.792 1.00 14.15 H new ATOM 0 HA3 GLY A 71 11.299 9.483 -18.126 1.00 14.15 H new ATOM 1098 N ILE A 72 9.630 11.944 -18.412 1.00 73.02 N ATOM 1099 CA ILE A 72 8.750 12.781 -19.219 1.00 30.33 C ATOM 1100 C ILE A 72 9.552 13.714 -20.120 1.00 22.45 C ATOM 1101 O ILE A 72 10.508 14.350 -19.677 1.00 2.42 O ATOM 1102 CB ILE A 72 7.808 13.621 -18.337 1.00 2.54 C ATOM 1103 CG1 ILE A 72 6.912 12.710 -17.496 1.00 74.34 C ATOM 1104 CG2 ILE A 72 6.968 14.553 -19.197 1.00 53.01 C ATOM 1105 CD1 ILE A 72 6.184 13.435 -16.386 1.00 73.31 C ATOM 0 H ILE A 72 10.330 12.459 -17.878 1.00 73.02 H new ATOM 0 HA ILE A 72 8.154 12.109 -19.836 1.00 30.33 H new ATOM 0 HB ILE A 72 8.412 14.227 -17.662 1.00 2.54 H new ATOM 0 HG12 ILE A 72 6.180 12.232 -18.147 1.00 74.34 H new ATOM 0 HG13 ILE A 72 7.520 11.916 -17.063 1.00 74.34 H new ATOM 0 HG21 ILE A 72 6.307 15.140 -18.559 1.00 53.01 H new ATOM 0 HG22 ILE A 72 7.623 15.222 -19.755 1.00 53.01 H new ATOM 0 HG23 ILE A 72 6.371 13.965 -19.894 1.00 53.01 H new ATOM 0 HD11 ILE A 72 5.568 12.727 -15.832 1.00 73.31 H new ATOM 0 HD12 ILE A 72 6.909 13.890 -15.712 1.00 73.31 H new ATOM 0 HD13 ILE A 72 5.549 14.211 -16.813 1.00 73.31 H new ATOM 1117 N SER A 73 9.155 13.791 -21.386 1.00 23.33 N ATOM 1118 CA SER A 73 9.838 14.645 -22.350 1.00 65.33 C ATOM 1119 C SER A 73 8.861 15.617 -23.003 1.00 12.20 C ATOM 1120 O SER A 73 7.718 15.749 -22.568 1.00 15.43 O ATOM 1121 CB SER A 73 10.522 13.794 -23.423 1.00 35.23 C ATOM 1122 OG SER A 73 11.169 12.672 -22.848 1.00 3.22 O ATOM 0 H SER A 73 8.364 13.272 -21.768 1.00 23.33 H new ATOM 0 HA SER A 73 10.594 15.221 -21.816 1.00 65.33 H new ATOM 0 HB2 SER A 73 9.783 13.458 -24.151 1.00 35.23 H new ATOM 0 HB3 SER A 73 11.249 14.400 -23.963 1.00 35.23 H new ATOM 0 HG SER A 73 11.946 12.428 -23.393 1.00 3.22 H new ATOM 1128 N GLU A 74 9.321 16.295 -24.050 1.00 15.41 N ATOM 1129 CA GLU A 74 8.487 17.257 -24.762 1.00 61.43 C ATOM 1130 C GLU A 74 7.721 16.579 -25.895 1.00 21.54 C ATOM 1131 O GLU A 74 6.774 17.141 -26.442 1.00 41.43 O ATOM 1132 CB GLU A 74 9.345 18.393 -25.322 1.00 2.44 C ATOM 1133 CG GLU A 74 10.259 17.964 -26.457 1.00 50.31 C ATOM 1134 CD GLU A 74 11.330 18.993 -26.765 1.00 30.35 C ATOM 1135 OE1 GLU A 74 11.187 20.150 -26.319 1.00 2.34 O ATOM 1136 OE2 GLU A 74 12.311 18.639 -27.451 1.00 44.13 O ATOM 0 H GLU A 74 10.265 16.196 -24.424 1.00 15.41 H new ATOM 0 HA GLU A 74 7.767 17.669 -24.054 1.00 61.43 H new ATOM 0 HB2 GLU A 74 8.691 19.190 -25.675 1.00 2.44 H new ATOM 0 HB3 GLU A 74 9.950 18.810 -24.517 1.00 2.44 H new ATOM 0 HG2 GLU A 74 10.734 17.018 -26.198 1.00 50.31 H new ATOM 0 HG3 GLU A 74 9.662 17.787 -27.352 1.00 50.31 H new ATOM 1143 N GLY A 75 8.139 15.365 -26.241 1.00 24.34 N ATOM 1144 CA GLY A 75 7.483 14.630 -27.306 1.00 20.51 C ATOM 1145 C GLY A 75 7.490 13.133 -27.067 1.00 65.42 C ATOM 1146 O GLY A 75 7.235 12.349 -27.982 1.00 34.13 O ATOM 0 H GLY A 75 8.920 14.878 -25.802 1.00 24.34 H new ATOM 0 HA2 GLY A 75 6.453 14.975 -27.401 1.00 20.51 H new ATOM 0 HA3 GLY A 75 7.980 14.846 -28.252 1.00 20.51 H new ATOM 1150 N LYS A 76 7.786 12.733 -25.835 1.00 42.10 N ATOM 1151 CA LYS A 76 7.827 11.320 -25.477 1.00 51.14 C ATOM 1152 C LYS A 76 7.758 11.140 -23.964 1.00 64.44 C ATOM 1153 O LYS A 76 8.298 11.948 -23.209 1.00 24.04 O ATOM 1154 CB LYS A 76 9.102 10.672 -26.022 1.00 33.41 C ATOM 1155 CG LYS A 76 10.377 11.356 -25.562 1.00 12.55 C ATOM 1156 CD LYS A 76 11.598 10.799 -26.274 1.00 54.45 C ATOM 1157 CE LYS A 76 11.696 11.320 -27.700 1.00 45.21 C ATOM 1158 NZ LYS A 76 12.499 10.414 -28.567 1.00 70.13 N ATOM 0 H LYS A 76 8.001 13.368 -25.067 1.00 42.10 H new ATOM 0 HA LYS A 76 6.960 10.832 -25.922 1.00 51.14 H new ATOM 0 HB2 LYS A 76 9.129 9.627 -25.713 1.00 33.41 H new ATOM 0 HB3 LYS A 76 9.067 10.682 -27.111 1.00 33.41 H new ATOM 0 HG2 LYS A 76 10.304 12.427 -25.748 1.00 12.55 H new ATOM 0 HG3 LYS A 76 10.492 11.227 -24.486 1.00 12.55 H new ATOM 0 HD2 LYS A 76 12.498 11.072 -25.723 1.00 54.45 H new ATOM 0 HD3 LYS A 76 11.549 9.710 -26.286 1.00 54.45 H new ATOM 0 HE2 LYS A 76 10.695 11.428 -28.117 1.00 45.21 H new ATOM 0 HE3 LYS A 76 12.148 12.312 -27.694 1.00 45.21 H new ATOM 0 HZ1 LYS A 76 12.542 10.804 -29.530 1.00 70.13 H new ATOM 0 HZ2 LYS A 76 13.462 10.330 -28.184 1.00 70.13 H new ATOM 0 HZ3 LYS A 76 12.054 9.474 -28.593 1.00 70.13 H new ATOM 1172 N ILE A 77 7.093 10.075 -23.530 1.00 30.23 N ATOM 1173 CA ILE A 77 6.957 9.788 -22.107 1.00 60.11 C ATOM 1174 C ILE A 77 7.369 8.353 -21.794 1.00 13.52 C ATOM 1175 O ILE A 77 6.693 7.403 -22.187 1.00 73.32 O ATOM 1176 CB ILE A 77 5.512 10.013 -21.623 1.00 24.20 C ATOM 1177 CG1 ILE A 77 4.979 11.349 -22.144 1.00 71.21 C ATOM 1178 CG2 ILE A 77 5.450 9.968 -20.104 1.00 31.35 C ATOM 1179 CD1 ILE A 77 5.842 12.533 -21.767 1.00 33.43 C ATOM 0 H ILE A 77 6.640 9.397 -24.143 1.00 30.23 H new ATOM 0 HA ILE A 77 7.619 10.476 -21.581 1.00 60.11 H new ATOM 0 HB ILE A 77 4.884 9.214 -22.017 1.00 24.20 H new ATOM 0 HG12 ILE A 77 4.898 11.300 -23.230 1.00 71.21 H new ATOM 0 HG13 ILE A 77 3.972 11.505 -21.756 1.00 71.21 H new ATOM 0 HG21 ILE A 77 4.423 10.129 -19.777 1.00 31.35 H new ATOM 0 HG22 ILE A 77 5.794 8.995 -19.754 1.00 31.35 H new ATOM 0 HG23 ILE A 77 6.089 10.749 -19.691 1.00 31.35 H new ATOM 0 HD11 ILE A 77 5.403 13.446 -22.170 1.00 33.43 H new ATOM 0 HD12 ILE A 77 5.903 12.608 -20.681 1.00 33.43 H new ATOM 0 HD13 ILE A 77 6.843 12.399 -22.178 1.00 33.43 H new ATOM 1191 N ASP A 78 8.481 8.205 -21.082 1.00 55.11 N ATOM 1192 CA ASP A 78 8.982 6.886 -20.713 1.00 14.34 C ATOM 1193 C ASP A 78 8.268 6.362 -19.470 1.00 41.42 C ATOM 1194 O ASP A 78 8.281 7.002 -18.418 1.00 74.22 O ATOM 1195 CB ASP A 78 10.490 6.941 -20.465 1.00 12.44 C ATOM 1196 CG ASP A 78 11.292 6.786 -21.741 1.00 45.24 C ATOM 1197 OD1 ASP A 78 11.529 5.633 -22.156 1.00 63.42 O ATOM 1198 OD2 ASP A 78 11.685 7.818 -22.325 1.00 53.43 O ATOM 0 H ASP A 78 9.052 8.982 -20.749 1.00 55.11 H new ATOM 0 HA ASP A 78 8.782 6.204 -21.540 1.00 14.34 H new ATOM 0 HB2 ASP A 78 10.743 7.890 -19.993 1.00 12.44 H new ATOM 0 HB3 ASP A 78 10.769 6.153 -19.766 1.00 12.44 H new ATOM 1203 N VAL A 79 7.645 5.195 -19.600 1.00 3.24 N ATOM 1204 CA VAL A 79 6.926 4.585 -18.488 1.00 22.03 C ATOM 1205 C VAL A 79 7.123 3.073 -18.469 1.00 42.32 C ATOM 1206 O VAL A 79 7.335 2.452 -19.511 1.00 51.22 O ATOM 1207 CB VAL A 79 5.419 4.894 -18.557 1.00 11.43 C ATOM 1208 CG1 VAL A 79 5.189 6.380 -18.790 1.00 72.21 C ATOM 1209 CG2 VAL A 79 4.755 4.066 -19.646 1.00 52.01 C ATOM 0 H VAL A 79 7.624 4.653 -20.464 1.00 3.24 H new ATOM 0 HA VAL A 79 7.336 5.013 -17.573 1.00 22.03 H new ATOM 0 HB VAL A 79 4.966 4.626 -17.602 1.00 11.43 H new ATOM 0 HG11 VAL A 79 4.118 6.580 -18.836 1.00 72.21 H new ATOM 0 HG12 VAL A 79 5.629 6.949 -17.971 1.00 72.21 H new ATOM 0 HG13 VAL A 79 5.654 6.677 -19.730 1.00 72.21 H new ATOM 0 HG21 VAL A 79 3.690 4.297 -19.681 1.00 52.01 H new ATOM 0 HG22 VAL A 79 5.209 4.300 -20.609 1.00 52.01 H new ATOM 0 HG23 VAL A 79 4.889 3.006 -19.430 1.00 52.01 H new ATOM 1219 N ILE A 80 7.052 2.487 -17.279 1.00 15.42 N ATOM 1220 CA ILE A 80 7.220 1.048 -17.125 1.00 64.22 C ATOM 1221 C ILE A 80 5.873 0.333 -17.126 1.00 3.10 C ATOM 1222 O ILE A 80 5.048 0.544 -16.238 1.00 72.02 O ATOM 1223 CB ILE A 80 7.970 0.705 -15.824 1.00 61.44 C ATOM 1224 CG1 ILE A 80 9.482 0.771 -16.049 1.00 22.31 C ATOM 1225 CG2 ILE A 80 7.563 -0.674 -15.326 1.00 72.03 C ATOM 1226 CD1 ILE A 80 10.017 -0.362 -16.897 1.00 41.44 C ATOM 0 H ILE A 80 6.879 2.987 -16.407 1.00 15.42 H new ATOM 0 HA ILE A 80 7.810 0.707 -17.976 1.00 64.22 H new ATOM 0 HB ILE A 80 7.702 1.438 -15.063 1.00 61.44 H new ATOM 0 HG12 ILE A 80 9.729 1.719 -16.526 1.00 22.31 H new ATOM 0 HG13 ILE A 80 9.986 0.760 -15.082 1.00 22.31 H new ATOM 0 HG21 ILE A 80 8.101 -0.902 -14.406 1.00 72.03 H new ATOM 0 HG22 ILE A 80 6.491 -0.689 -15.132 1.00 72.03 H new ATOM 0 HG23 ILE A 80 7.805 -1.420 -16.083 1.00 72.03 H new ATOM 0 HD11 ILE A 80 11.095 -0.251 -17.015 1.00 41.44 H new ATOM 0 HD12 ILE A 80 9.801 -1.313 -16.411 1.00 41.44 H new ATOM 0 HD13 ILE A 80 9.541 -0.339 -17.877 1.00 41.44 H new ATOM 1238 N GLU A 81 5.660 -0.514 -18.128 1.00 33.22 N ATOM 1239 CA GLU A 81 4.413 -1.261 -18.243 1.00 34.01 C ATOM 1240 C GLU A 81 4.655 -2.756 -18.057 1.00 74.20 C ATOM 1241 O GLU A 81 5.681 -3.287 -18.482 1.00 42.13 O ATOM 1242 CB GLU A 81 3.762 -1.004 -19.604 1.00 10.13 C ATOM 1243 CG GLU A 81 3.458 0.462 -19.866 1.00 30.41 C ATOM 1244 CD GLU A 81 3.438 0.798 -21.344 1.00 63.13 C ATOM 1245 OE1 GLU A 81 3.551 -0.135 -22.167 1.00 51.41 O ATOM 1246 OE2 GLU A 81 3.310 1.995 -21.678 1.00 70.52 O ATOM 0 H GLU A 81 6.334 -0.700 -18.871 1.00 33.22 H new ATOM 0 HA GLU A 81 3.741 -0.919 -17.456 1.00 34.01 H new ATOM 0 HB2 GLU A 81 4.421 -1.376 -20.389 1.00 10.13 H new ATOM 0 HB3 GLU A 81 2.836 -1.576 -19.668 1.00 10.13 H new ATOM 0 HG2 GLU A 81 2.492 0.713 -19.427 1.00 30.41 H new ATOM 0 HG3 GLU A 81 4.205 1.079 -19.367 1.00 30.41 H new ATOM 1253 N ILE A 82 3.703 -3.429 -17.419 1.00 11.33 N ATOM 1254 CA ILE A 82 3.812 -4.862 -17.177 1.00 0.12 C ATOM 1255 C ILE A 82 3.101 -5.659 -18.266 1.00 4.15 C ATOM 1256 O ILE A 82 1.963 -5.360 -18.626 1.00 32.02 O ATOM 1257 CB ILE A 82 3.224 -5.248 -15.807 1.00 32.11 C ATOM 1258 CG1 ILE A 82 4.140 -4.766 -14.680 1.00 14.10 C ATOM 1259 CG2 ILE A 82 3.020 -6.753 -15.723 1.00 74.44 C ATOM 1260 CD1 ILE A 82 4.070 -3.274 -14.441 1.00 50.23 C ATOM 0 H ILE A 82 2.848 -3.005 -17.060 1.00 11.33 H new ATOM 0 HA ILE A 82 4.875 -5.104 -17.188 1.00 0.12 H new ATOM 0 HB ILE A 82 2.255 -4.763 -15.695 1.00 32.11 H new ATOM 0 HG12 ILE A 82 3.875 -5.286 -13.760 1.00 14.10 H new ATOM 0 HG13 ILE A 82 5.168 -5.040 -14.916 1.00 14.10 H new ATOM 0 HG21 ILE A 82 2.604 -7.010 -14.749 1.00 74.44 H new ATOM 0 HG22 ILE A 82 2.332 -7.071 -16.507 1.00 74.44 H new ATOM 0 HG23 ILE A 82 3.977 -7.258 -15.853 1.00 74.44 H new ATOM 0 HD11 ILE A 82 4.745 -3.004 -13.629 1.00 50.23 H new ATOM 0 HD12 ILE A 82 4.364 -2.746 -15.348 1.00 50.23 H new ATOM 0 HD13 ILE A 82 3.051 -2.996 -14.174 1.00 50.23 H new ATOM 1272 N VAL A 83 3.781 -6.676 -18.785 1.00 74.43 N ATOM 1273 CA VAL A 83 3.214 -7.519 -19.831 1.00 73.42 C ATOM 1274 C VAL A 83 3.508 -8.992 -19.570 1.00 32.23 C ATOM 1275 O VAL A 83 4.467 -9.347 -18.884 1.00 71.22 O ATOM 1276 CB VAL A 83 3.761 -7.136 -21.219 1.00 60.40 C ATOM 1277 CG1 VAL A 83 3.086 -5.873 -21.729 1.00 52.53 C ATOM 1278 CG2 VAL A 83 5.271 -6.960 -21.166 1.00 10.35 C ATOM 0 H VAL A 83 4.725 -6.936 -18.499 1.00 74.43 H new ATOM 0 HA VAL A 83 2.136 -7.359 -19.816 1.00 73.42 H new ATOM 0 HB VAL A 83 3.537 -7.945 -21.915 1.00 60.40 H new ATOM 0 HG11 VAL A 83 3.485 -5.618 -22.711 1.00 52.53 H new ATOM 0 HG12 VAL A 83 2.012 -6.041 -21.807 1.00 52.53 H new ATOM 0 HG13 VAL A 83 3.276 -5.054 -21.036 1.00 52.53 H new ATOM 0 HG21 VAL A 83 5.641 -6.690 -22.155 1.00 10.35 H new ATOM 0 HG22 VAL A 83 5.521 -6.171 -20.457 1.00 10.35 H new ATOM 0 HG23 VAL A 83 5.735 -7.894 -20.848 1.00 10.35 H new ATOM 1288 N PRO A 84 2.664 -9.872 -20.129 1.00 31.44 N ATOM 1289 CA PRO A 84 2.813 -11.322 -19.971 1.00 23.11 C ATOM 1290 C PRO A 84 4.028 -11.864 -20.717 1.00 32.34 C ATOM 1291 O PRO A 84 4.460 -11.292 -21.717 1.00 5.31 O ATOM 1292 CB PRO A 84 1.522 -11.880 -20.575 1.00 41.52 C ATOM 1293 CG PRO A 84 1.077 -10.839 -21.544 1.00 42.00 C ATOM 1294 CD PRO A 84 1.499 -9.520 -20.958 1.00 64.01 C ATOM 0 HA PRO A 84 2.969 -11.605 -18.930 1.00 23.11 H new ATOM 0 HB2 PRO A 84 1.697 -12.834 -21.072 1.00 41.52 H new ATOM 0 HB3 PRO A 84 0.768 -12.054 -19.807 1.00 41.52 H new ATOM 0 HG2 PRO A 84 1.533 -10.995 -22.522 1.00 42.00 H new ATOM 0 HG3 PRO A 84 -0.003 -10.875 -21.687 1.00 42.00 H new ATOM 0 HD2 PRO A 84 1.761 -8.801 -21.734 1.00 64.01 H new ATOM 0 HD3 PRO A 84 0.703 -9.072 -20.363 1.00 64.01 H new ATOM 1302 N ASP A 85 4.573 -12.971 -20.224 1.00 2.11 N ATOM 1303 CA ASP A 85 5.738 -13.591 -20.845 1.00 34.40 C ATOM 1304 C ASP A 85 5.313 -14.639 -21.869 1.00 63.33 C ATOM 1305 O ASP A 85 5.776 -14.631 -23.009 1.00 63.10 O ATOM 1306 CB ASP A 85 6.629 -14.233 -19.780 1.00 41.43 C ATOM 1307 CG ASP A 85 7.921 -14.776 -20.358 1.00 2.12 C ATOM 1308 OD1 ASP A 85 8.693 -13.982 -20.935 1.00 11.32 O ATOM 1309 OD2 ASP A 85 8.161 -15.995 -20.234 1.00 35.54 O ATOM 0 H ASP A 85 4.227 -13.457 -19.397 1.00 2.11 H new ATOM 0 HA ASP A 85 6.303 -12.813 -21.359 1.00 34.40 H new ATOM 0 HB2 ASP A 85 6.860 -13.496 -19.011 1.00 41.43 H new ATOM 0 HB3 ASP A 85 6.084 -15.042 -19.293 1.00 41.43 H new ATOM 1314 N GLY A 86 4.430 -15.542 -21.454 1.00 54.10 N ATOM 1315 CA GLY A 86 3.959 -16.585 -22.347 1.00 12.41 C ATOM 1316 C GLY A 86 3.393 -17.776 -21.600 1.00 1.02 C ATOM 1317 O GLY A 86 2.434 -18.401 -22.051 1.00 50.33 O ATOM 0 H GLY A 86 4.032 -15.570 -20.515 1.00 54.10 H new ATOM 0 HA2 GLY A 86 3.193 -16.176 -23.006 1.00 12.41 H new ATOM 0 HA3 GLY A 86 4.782 -16.915 -22.981 1.00 12.41 H new ATOM 1321 N GLU A 87 3.990 -18.092 -20.455 1.00 34.14 N ATOM 1322 CA GLU A 87 3.540 -19.219 -19.645 1.00 52.34 C ATOM 1323 C GLU A 87 2.576 -18.756 -18.557 1.00 33.13 C ATOM 1324 O GLU A 87 1.739 -19.525 -18.086 1.00 13.02 O ATOM 1325 CB GLU A 87 4.737 -19.931 -19.013 1.00 1.15 C ATOM 1326 CG GLU A 87 5.314 -19.201 -17.811 1.00 62.13 C ATOM 1327 CD GLU A 87 6.685 -19.717 -17.418 1.00 73.21 C ATOM 1328 OE1 GLU A 87 7.674 -19.330 -18.074 1.00 64.24 O ATOM 1329 OE2 GLU A 87 6.768 -20.508 -16.455 1.00 51.22 O ATOM 0 H GLU A 87 4.785 -17.584 -20.067 1.00 34.14 H new ATOM 0 HA GLU A 87 3.015 -19.917 -20.298 1.00 52.34 H new ATOM 0 HB2 GLU A 87 4.434 -20.933 -18.708 1.00 1.15 H new ATOM 0 HB3 GLU A 87 5.517 -20.049 -19.765 1.00 1.15 H new ATOM 0 HG2 GLU A 87 5.381 -18.136 -18.035 1.00 62.13 H new ATOM 0 HG3 GLU A 87 4.634 -19.307 -16.966 1.00 62.13 H new ATOM 1336 N GLY A 88 2.701 -17.493 -18.161 1.00 51.32 N ATOM 1337 CA GLY A 88 1.836 -16.949 -17.131 1.00 14.21 C ATOM 1338 C GLY A 88 2.531 -15.903 -16.282 1.00 61.12 C ATOM 1339 O GLY A 88 1.882 -15.154 -15.553 1.00 43.14 O ATOM 0 H GLY A 88 3.386 -16.837 -18.535 1.00 51.32 H new ATOM 0 HA2 GLY A 88 0.955 -16.507 -17.597 1.00 14.21 H new ATOM 0 HA3 GLY A 88 1.486 -17.758 -16.490 1.00 14.21 H new ATOM 1343 N ASN A 89 3.856 -15.853 -16.375 1.00 60.14 N ATOM 1344 CA ASN A 89 4.641 -14.893 -15.608 1.00 15.40 C ATOM 1345 C ASN A 89 4.732 -13.557 -16.339 1.00 51.24 C ATOM 1346 O ASN A 89 4.914 -13.515 -17.556 1.00 61.31 O ATOM 1347 CB ASN A 89 6.045 -15.442 -15.348 1.00 12.51 C ATOM 1348 CG ASN A 89 6.932 -15.366 -16.576 1.00 13.13 C ATOM 1349 OD1 ASN A 89 7.411 -14.293 -16.944 1.00 75.31 O ATOM 1350 ND2 ASN A 89 7.154 -16.508 -17.216 1.00 3.13 N ATOM 0 H ASN A 89 4.408 -16.466 -16.974 1.00 60.14 H new ATOM 0 HA ASN A 89 4.139 -14.731 -14.654 1.00 15.40 H new ATOM 0 HB2 ASN A 89 6.506 -14.882 -14.535 1.00 12.51 H new ATOM 0 HB3 ASN A 89 5.972 -16.479 -15.020 1.00 12.51 H new ATOM 0 HD21 ASN A 89 7.743 -16.520 -18.049 1.00 3.13 H new ATOM 0 HD22 ASN A 89 6.736 -17.374 -16.875 1.00 3.13 H new ATOM 1357 N TRP A 90 4.605 -12.468 -15.589 1.00 72.33 N ATOM 1358 CA TRP A 90 4.674 -11.130 -16.166 1.00 73.53 C ATOM 1359 C TRP A 90 6.081 -10.556 -16.042 1.00 55.12 C ATOM 1360 O TRP A 90 6.890 -11.037 -15.248 1.00 45.34 O ATOM 1361 CB TRP A 90 3.669 -10.204 -15.480 1.00 33.35 C ATOM 1362 CG TRP A 90 2.269 -10.740 -15.482 1.00 60.20 C ATOM 1363 CD1 TRP A 90 1.774 -11.743 -14.699 1.00 22.44 C ATOM 1364 CD2 TRP A 90 1.185 -10.302 -16.309 1.00 23.41 C ATOM 1365 NE1 TRP A 90 0.448 -11.956 -14.989 1.00 11.44 N ATOM 1366 CE2 TRP A 90 0.063 -11.084 -15.972 1.00 54.24 C ATOM 1367 CE3 TRP A 90 1.053 -9.325 -17.299 1.00 63.20 C ATOM 1368 CZ2 TRP A 90 -1.173 -10.917 -16.593 1.00 22.34 C ATOM 1369 CZ3 TRP A 90 -0.173 -9.161 -17.914 1.00 34.41 C ATOM 1370 CH2 TRP A 90 -1.273 -9.953 -17.559 1.00 34.34 C ATOM 0 H TRP A 90 4.454 -12.485 -14.580 1.00 72.33 H new ATOM 0 HA TRP A 90 4.424 -11.204 -17.224 1.00 73.53 H new ATOM 0 HB2 TRP A 90 3.985 -10.036 -14.450 1.00 33.35 H new ATOM 0 HB3 TRP A 90 3.680 -9.235 -15.979 1.00 33.35 H new ATOM 0 HD1 TRP A 90 2.342 -12.289 -13.960 1.00 22.44 H new ATOM 0 HE1 TRP A 90 -0.152 -12.651 -14.544 1.00 11.44 H new ATOM 0 HE3 TRP A 90 1.895 -8.709 -17.579 1.00 63.20 H new ATOM 0 HZ2 TRP A 90 -2.022 -11.527 -16.322 1.00 22.34 H new ATOM 0 HZ3 TRP A 90 -0.286 -8.410 -18.681 1.00 34.41 H new ATOM 0 HH2 TRP A 90 -2.219 -9.800 -18.058 1.00 34.34 H new ATOM 1381 N LEU A 91 6.366 -9.525 -16.830 1.00 74.33 N ATOM 1382 CA LEU A 91 7.676 -8.885 -16.808 1.00 50.50 C ATOM 1383 C LEU A 91 7.556 -7.389 -17.083 1.00 74.12 C ATOM 1384 O LEU A 91 6.560 -6.930 -17.642 1.00 10.35 O ATOM 1385 CB LEU A 91 8.600 -9.532 -17.841 1.00 73.01 C ATOM 1386 CG LEU A 91 9.856 -10.206 -17.289 1.00 4.21 C ATOM 1387 CD1 LEU A 91 10.663 -9.226 -16.451 1.00 42.12 C ATOM 1388 CD2 LEU A 91 9.487 -11.433 -16.469 1.00 31.22 C ATOM 0 H LEU A 91 5.707 -9.115 -17.492 1.00 74.33 H new ATOM 0 HA LEU A 91 8.102 -9.020 -15.814 1.00 50.50 H new ATOM 0 HB2 LEU A 91 8.027 -10.275 -18.396 1.00 73.01 H new ATOM 0 HB3 LEU A 91 8.906 -8.767 -18.555 1.00 73.01 H new ATOM 0 HG LEU A 91 10.471 -10.527 -18.129 1.00 4.21 H new ATOM 0 HD11 LEU A 91 11.553 -9.723 -16.066 1.00 42.12 H new ATOM 0 HD12 LEU A 91 10.959 -8.378 -17.068 1.00 42.12 H new ATOM 0 HD13 LEU A 91 10.055 -8.874 -15.617 1.00 42.12 H new ATOM 0 HD21 LEU A 91 10.394 -11.900 -16.084 1.00 31.22 H new ATOM 0 HD22 LEU A 91 8.850 -11.136 -15.636 1.00 31.22 H new ATOM 0 HD23 LEU A 91 8.952 -12.144 -17.099 1.00 31.22 H new ATOM 1400 N GLU A 92 8.578 -6.636 -16.689 1.00 53.20 N ATOM 1401 CA GLU A 92 8.586 -5.192 -16.895 1.00 31.30 C ATOM 1402 C GLU A 92 8.871 -4.853 -18.355 1.00 54.32 C ATOM 1403 O GLU A 92 9.582 -5.582 -19.046 1.00 22.22 O ATOM 1404 CB GLU A 92 9.631 -4.532 -15.993 1.00 61.13 C ATOM 1405 CG GLU A 92 9.361 -4.720 -14.510 1.00 23.31 C ATOM 1406 CD GLU A 92 10.533 -4.297 -13.646 1.00 11.55 C ATOM 1407 OE1 GLU A 92 11.626 -4.881 -13.798 1.00 52.25 O ATOM 1408 OE2 GLU A 92 10.356 -3.380 -12.816 1.00 2.21 O ATOM 0 H GLU A 92 9.410 -7.001 -16.226 1.00 53.20 H new ATOM 0 HA GLU A 92 7.599 -4.808 -16.637 1.00 31.30 H new ATOM 0 HB2 GLU A 92 10.613 -4.941 -16.230 1.00 61.13 H new ATOM 0 HB3 GLU A 92 9.668 -3.465 -16.215 1.00 61.13 H new ATOM 0 HG2 GLU A 92 8.480 -4.143 -14.229 1.00 23.31 H new ATOM 0 HG3 GLU A 92 9.131 -5.768 -14.316 1.00 23.31 H new ATOM 1415 N ARG A 93 8.309 -3.741 -18.818 1.00 41.42 N ATOM 1416 CA ARG A 93 8.500 -3.305 -20.196 1.00 45.32 C ATOM 1417 C ARG A 93 8.459 -1.783 -20.296 1.00 11.44 C ATOM 1418 O ARG A 93 7.399 -1.175 -20.449 1.00 43.34 O ATOM 1419 CB ARG A 93 7.428 -3.915 -21.100 1.00 51.03 C ATOM 1420 CG ARG A 93 7.879 -4.102 -22.540 1.00 30.24 C ATOM 1421 CD ARG A 93 8.952 -5.174 -22.652 1.00 75.33 C ATOM 1422 NE ARG A 93 9.312 -5.444 -24.042 1.00 2.24 N ATOM 1423 CZ ARG A 93 10.075 -6.464 -24.418 1.00 45.42 C ATOM 1424 NH1 ARG A 93 10.556 -7.306 -23.514 1.00 14.02 N ATOM 1425 NH2 ARG A 93 10.360 -6.643 -25.702 1.00 15.21 N ATOM 0 H ARG A 93 7.718 -3.126 -18.259 1.00 41.42 H new ATOM 0 HA ARG A 93 9.481 -3.647 -20.526 1.00 45.32 H new ATOM 0 HB2 ARG A 93 7.129 -4.881 -20.694 1.00 51.03 H new ATOM 0 HB3 ARG A 93 6.545 -3.276 -21.085 1.00 51.03 H new ATOM 0 HG2 ARG A 93 7.024 -4.376 -23.158 1.00 30.24 H new ATOM 0 HG3 ARG A 93 8.264 -3.159 -22.928 1.00 30.24 H new ATOM 0 HD2 ARG A 93 9.839 -4.858 -22.102 1.00 75.33 H new ATOM 0 HD3 ARG A 93 8.597 -6.092 -22.184 1.00 75.33 H new ATOM 0 HE ARG A 93 8.958 -4.815 -24.763 1.00 2.24 H new ATOM 0 HH11 ARG A 93 10.340 -7.172 -22.526 1.00 14.02 H new ATOM 0 HH12 ARG A 93 11.142 -8.088 -23.806 1.00 14.02 H new ATOM 0 HH21 ARG A 93 9.993 -5.997 -26.401 1.00 15.21 H new ATOM 0 HH22 ARG A 93 10.946 -7.427 -25.990 1.00 15.21 H new ATOM 1439 N PRO A 94 9.639 -1.151 -20.205 1.00 53.14 N ATOM 1440 CA PRO A 94 9.764 0.308 -20.283 1.00 33.44 C ATOM 1441 C PRO A 94 9.474 0.841 -21.681 1.00 41.05 C ATOM 1442 O PRO A 94 10.349 0.845 -22.548 1.00 12.23 O ATOM 1443 CB PRO A 94 11.226 0.559 -19.907 1.00 22.43 C ATOM 1444 CG PRO A 94 11.931 -0.705 -20.261 1.00 72.15 C ATOM 1445 CD PRO A 94 10.942 -1.812 -20.022 1.00 34.03 C ATOM 0 HA PRO A 94 9.050 0.814 -19.633 1.00 33.44 H new ATOM 0 HB2 PRO A 94 11.636 1.408 -20.455 1.00 22.43 H new ATOM 0 HB3 PRO A 94 11.328 0.786 -18.846 1.00 22.43 H new ATOM 0 HG2 PRO A 94 12.258 -0.691 -21.301 1.00 72.15 H new ATOM 0 HG3 PRO A 94 12.823 -0.839 -19.648 1.00 72.15 H new ATOM 0 HD2 PRO A 94 11.079 -2.632 -20.727 1.00 34.03 H new ATOM 0 HD3 PRO A 94 11.043 -2.232 -19.021 1.00 34.03 H new ATOM 1453 N ARG A 95 8.242 1.291 -21.895 1.00 32.51 N ATOM 1454 CA ARG A 95 7.837 1.826 -23.189 1.00 63.34 C ATOM 1455 C ARG A 95 7.803 3.351 -23.160 1.00 71.14 C ATOM 1456 O ARG A 95 7.707 3.959 -22.095 1.00 13.52 O ATOM 1457 CB ARG A 95 6.463 1.281 -23.583 1.00 50.33 C ATOM 1458 CG ARG A 95 6.077 1.585 -25.022 1.00 20.13 C ATOM 1459 CD ARG A 95 5.366 0.407 -25.668 1.00 71.53 C ATOM 1460 NE ARG A 95 4.123 0.072 -24.978 1.00 61.53 N ATOM 1461 CZ ARG A 95 3.527 -1.112 -25.071 1.00 0.00 C ATOM 1462 NH1 ARG A 95 4.058 -2.068 -25.820 1.00 73.34 N ATOM 1463 NH2 ARG A 95 2.398 -1.341 -24.413 1.00 11.23 N ATOM 0 H ARG A 95 7.507 1.296 -21.188 1.00 32.51 H new ATOM 0 HA ARG A 95 8.571 1.510 -23.930 1.00 63.34 H new ATOM 0 HB2 ARG A 95 6.453 0.201 -23.433 1.00 50.33 H new ATOM 0 HB3 ARG A 95 5.710 1.702 -22.917 1.00 50.33 H new ATOM 0 HG2 ARG A 95 5.430 2.461 -25.049 1.00 20.13 H new ATOM 0 HG3 ARG A 95 6.971 1.831 -25.595 1.00 20.13 H new ATOM 0 HD2 ARG A 95 5.150 0.641 -26.710 1.00 71.53 H new ATOM 0 HD3 ARG A 95 6.026 -0.460 -25.666 1.00 71.53 H new ATOM 0 HE ARG A 95 3.689 0.786 -24.393 1.00 61.53 H new ATOM 0 HH11 ARG A 95 4.926 -1.896 -26.327 1.00 73.34 H new ATOM 0 HH12 ARG A 95 3.598 -2.976 -25.890 1.00 73.34 H new ATOM 0 HH21 ARG A 95 1.987 -0.608 -23.835 1.00 11.23 H new ATOM 0 HH22 ARG A 95 1.941 -2.250 -24.485 1.00 11.23 H new ATOM 1477 N SER A 96 7.883 3.962 -24.338 1.00 73.01 N ATOM 1478 CA SER A 96 7.865 5.416 -24.448 1.00 21.13 C ATOM 1479 C SER A 96 6.687 5.882 -25.298 1.00 4.52 C ATOM 1480 O SER A 96 6.554 5.497 -26.460 1.00 71.40 O ATOM 1481 CB SER A 96 9.177 5.919 -25.053 1.00 71.25 C ATOM 1482 OG SER A 96 9.976 4.840 -25.508 1.00 35.24 O ATOM 0 H SER A 96 7.961 3.473 -25.230 1.00 73.01 H new ATOM 0 HA SER A 96 7.753 5.830 -23.446 1.00 21.13 H new ATOM 0 HB2 SER A 96 8.964 6.593 -25.883 1.00 71.25 H new ATOM 0 HB3 SER A 96 9.727 6.494 -24.309 1.00 71.25 H new ATOM 0 HG SER A 96 10.808 5.188 -25.892 1.00 35.24 H new ATOM 1488 N LEU A 97 5.835 6.715 -24.710 1.00 41.03 N ATOM 1489 CA LEU A 97 4.667 7.236 -25.412 1.00 62.25 C ATOM 1490 C LEU A 97 4.992 8.555 -26.105 1.00 52.42 C ATOM 1491 O LEU A 97 5.108 9.597 -25.459 1.00 14.15 O ATOM 1492 CB LEU A 97 3.506 7.431 -24.436 1.00 51.22 C ATOM 1493 CG LEU A 97 3.362 6.371 -23.344 1.00 34.01 C ATOM 1494 CD1 LEU A 97 2.103 6.615 -22.526 1.00 72.02 C ATOM 1495 CD2 LEU A 97 3.342 4.977 -23.953 1.00 60.33 C ATOM 0 H LEU A 97 5.931 7.044 -23.749 1.00 41.03 H new ATOM 0 HA LEU A 97 4.376 6.510 -26.172 1.00 62.25 H new ATOM 0 HB2 LEU A 97 3.619 8.404 -23.957 1.00 51.22 H new ATOM 0 HB3 LEU A 97 2.579 7.463 -25.008 1.00 51.22 H new ATOM 0 HG LEU A 97 4.223 6.443 -22.679 1.00 34.01 H new ATOM 0 HD11 LEU A 97 2.017 5.851 -21.754 1.00 72.02 H new ATOM 0 HD12 LEU A 97 2.157 7.598 -22.059 1.00 72.02 H new ATOM 0 HD13 LEU A 97 1.231 6.571 -23.178 1.00 72.02 H new ATOM 0 HD21 LEU A 97 3.239 4.235 -23.161 1.00 60.33 H new ATOM 0 HD22 LEU A 97 2.501 4.893 -24.641 1.00 60.33 H new ATOM 0 HD23 LEU A 97 4.272 4.803 -24.494 1.00 60.33 H new ATOM 1507 N THR A 98 5.136 8.505 -27.426 1.00 32.01 N ATOM 1508 CA THR A 98 5.446 9.696 -28.207 1.00 33.31 C ATOM 1509 C THR A 98 4.193 10.525 -28.466 1.00 20.20 C ATOM 1510 O THR A 98 3.095 9.984 -28.601 1.00 72.42 O ATOM 1511 CB THR A 98 6.093 9.330 -29.556 1.00 25.03 C ATOM 1512 OG1 THR A 98 5.119 8.739 -30.423 1.00 23.43 O ATOM 1513 CG2 THR A 98 7.253 8.366 -29.355 1.00 42.04 C ATOM 0 H THR A 98 5.043 7.652 -27.977 1.00 32.01 H new ATOM 0 HA THR A 98 6.153 10.284 -27.621 1.00 33.31 H new ATOM 0 HB THR A 98 6.475 10.244 -30.011 1.00 25.03 H new ATOM 0 HG1 THR A 98 5.538 8.511 -31.279 1.00 23.43 H new ATOM 0 HG21 THR A 98 7.695 8.122 -30.321 1.00 42.04 H new ATOM 0 HG22 THR A 98 8.006 8.831 -28.719 1.00 42.04 H new ATOM 0 HG23 THR A 98 6.890 7.454 -28.881 1.00 42.04 H new ATOM 1521 N LEU A 99 4.364 11.840 -28.535 1.00 12.42 N ATOM 1522 CA LEU A 99 3.246 12.745 -28.779 1.00 11.31 C ATOM 1523 C LEU A 99 2.452 12.311 -30.007 1.00 32.03 C ATOM 1524 O LEU A 99 2.990 12.229 -31.111 1.00 1.11 O ATOM 1525 CB LEU A 99 3.754 14.176 -28.966 1.00 12.12 C ATOM 1526 CG LEU A 99 2.889 15.280 -28.357 1.00 53.32 C ATOM 1527 CD1 LEU A 99 1.444 15.139 -28.812 1.00 24.41 C ATOM 1528 CD2 LEU A 99 2.977 15.251 -26.838 1.00 71.33 C ATOM 0 H LEU A 99 5.266 12.304 -28.426 1.00 12.42 H new ATOM 0 HA LEU A 99 2.587 12.710 -27.912 1.00 11.31 H new ATOM 0 HB2 LEU A 99 4.753 14.245 -28.535 1.00 12.12 H new ATOM 0 HB3 LEU A 99 3.854 14.368 -30.034 1.00 12.12 H new ATOM 0 HG LEU A 99 3.265 16.242 -28.704 1.00 53.32 H new ATOM 0 HD11 LEU A 99 0.844 15.933 -28.368 1.00 24.41 H new ATOM 0 HD12 LEU A 99 1.396 15.211 -29.899 1.00 24.41 H new ATOM 0 HD13 LEU A 99 1.056 14.171 -28.495 1.00 24.41 H new ATOM 0 HD21 LEU A 99 2.355 16.044 -26.422 1.00 71.33 H new ATOM 0 HD22 LEU A 99 2.628 14.286 -26.472 1.00 71.33 H new ATOM 0 HD23 LEU A 99 4.012 15.403 -26.531 1.00 71.33 H new ATOM 1540 N LYS A 100 1.167 12.035 -29.807 1.00 44.40 N ATOM 1541 CA LYS A 100 0.297 11.613 -30.897 1.00 74.14 C ATOM 1542 C LYS A 100 -0.469 12.800 -31.473 1.00 74.31 C ATOM 1543 O LYS A 100 -0.788 13.750 -30.758 1.00 65.45 O ATOM 1544 CB LYS A 100 -0.686 10.547 -30.409 1.00 33.43 C ATOM 1545 CG LYS A 100 -1.143 9.594 -31.500 1.00 52.43 C ATOM 1546 CD LYS A 100 -0.083 8.551 -31.809 1.00 71.53 C ATOM 1547 CE LYS A 100 -0.204 7.344 -30.891 1.00 12.32 C ATOM 1548 NZ LYS A 100 0.992 6.461 -30.975 1.00 33.13 N ATOM 0 H LYS A 100 0.706 12.096 -28.899 1.00 44.40 H new ATOM 0 HA LYS A 100 0.922 11.190 -31.684 1.00 74.14 H new ATOM 0 HB2 LYS A 100 -0.218 9.973 -29.609 1.00 33.43 H new ATOM 0 HB3 LYS A 100 -1.559 11.039 -29.980 1.00 33.43 H new ATOM 0 HG2 LYS A 100 -2.063 9.098 -31.190 1.00 52.43 H new ATOM 0 HG3 LYS A 100 -1.374 10.158 -32.404 1.00 52.43 H new ATOM 0 HD2 LYS A 100 -0.178 8.231 -32.847 1.00 71.53 H new ATOM 0 HD3 LYS A 100 0.907 8.994 -31.701 1.00 71.53 H new ATOM 0 HE2 LYS A 100 -0.335 7.681 -29.863 1.00 12.32 H new ATOM 0 HE3 LYS A 100 -1.095 6.775 -31.155 1.00 12.32 H new ATOM 0 HZ1 LYS A 100 0.871 5.650 -30.335 1.00 33.13 H new ATOM 0 HZ2 LYS A 100 1.103 6.118 -31.951 1.00 33.13 H new ATOM 0 HZ3 LYS A 100 1.839 6.997 -30.698 1.00 33.13 H new ATOM 1562 N GLU A 101 -0.763 12.737 -32.768 1.00 72.11 N ATOM 1563 CA GLU A 101 -1.493 13.807 -33.438 1.00 2.10 C ATOM 1564 C GLU A 101 -2.423 13.244 -34.508 1.00 54.13 C ATOM 1565 O GLU A 101 -2.392 12.050 -34.808 1.00 1.43 O ATOM 1566 CB GLU A 101 -0.517 14.803 -34.068 1.00 1.33 C ATOM 1567 CG GLU A 101 -0.106 15.927 -33.132 1.00 1.43 C ATOM 1568 CD GLU A 101 -1.178 16.990 -32.990 1.00 53.00 C ATOM 1569 OE1 GLU A 101 -1.885 17.256 -33.984 1.00 55.30 O ATOM 1570 OE2 GLU A 101 -1.310 17.555 -31.884 1.00 40.31 O ATOM 0 H GLU A 101 -0.507 11.957 -33.374 1.00 72.11 H new ATOM 0 HA GLU A 101 -2.097 14.323 -32.691 1.00 2.10 H new ATOM 0 HB2 GLU A 101 0.375 14.268 -34.394 1.00 1.33 H new ATOM 0 HB3 GLU A 101 -0.974 15.233 -34.959 1.00 1.33 H new ATOM 0 HG2 GLU A 101 0.121 15.512 -32.150 1.00 1.43 H new ATOM 0 HG3 GLU A 101 0.810 16.387 -33.503 1.00 1.43 H new ATOM 1577 N ARG A 102 -3.251 14.112 -35.081 1.00 10.34 N ATOM 1578 CA ARG A 102 -4.192 13.702 -36.116 1.00 41.30 C ATOM 1579 C ARG A 102 -3.518 13.678 -37.485 1.00 24.44 C ATOM 1580 O ARG A 102 -3.519 14.675 -38.207 1.00 34.43 O ATOM 1581 CB ARG A 102 -5.395 14.647 -36.145 1.00 43.22 C ATOM 1582 CG ARG A 102 -6.509 14.186 -37.070 1.00 34.22 C ATOM 1583 CD ARG A 102 -7.012 12.802 -36.689 1.00 63.13 C ATOM 1584 NE ARG A 102 -8.404 12.598 -37.081 1.00 1.23 N ATOM 1585 CZ ARG A 102 -8.958 11.400 -37.227 1.00 54.01 C ATOM 1586 NH1 ARG A 102 -8.243 10.304 -37.015 1.00 3.30 N ATOM 1587 NH2 ARG A 102 -10.232 11.296 -37.586 1.00 3.23 N ATOM 0 H ARG A 102 -3.289 15.104 -34.846 1.00 10.34 H new ATOM 0 HA ARG A 102 -4.535 12.695 -35.881 1.00 41.30 H new ATOM 0 HB2 ARG A 102 -5.792 14.748 -35.135 1.00 43.22 H new ATOM 0 HB3 ARG A 102 -5.061 15.637 -36.457 1.00 43.22 H new ATOM 0 HG2 ARG A 102 -7.334 14.898 -37.031 1.00 34.22 H new ATOM 0 HG3 ARG A 102 -6.148 14.173 -38.098 1.00 34.22 H new ATOM 0 HD2 ARG A 102 -6.387 12.046 -37.164 1.00 63.13 H new ATOM 0 HD3 ARG A 102 -6.915 12.665 -35.612 1.00 63.13 H new ATOM 0 HE ARG A 102 -8.982 13.421 -37.252 1.00 1.23 H new ATOM 0 HH11 ARG A 102 -7.264 10.379 -36.739 1.00 3.30 H new ATOM 0 HH12 ARG A 102 -8.672 9.385 -37.128 1.00 3.30 H new ATOM 0 HH21 ARG A 102 -10.786 12.137 -37.750 1.00 3.23 H new ATOM 0 HH22 ARG A 102 -10.657 10.375 -37.698 1.00 3.23 H new ATOM 1601 N SER A 103 -2.941 12.532 -37.834 1.00 73.01 N ATOM 1602 CA SER A 103 -2.259 12.379 -39.114 1.00 33.42 C ATOM 1603 C SER A 103 -2.248 10.917 -39.552 1.00 13.22 C ATOM 1604 O SER A 103 -2.001 10.018 -38.747 1.00 73.54 O ATOM 1605 CB SER A 103 -0.826 12.905 -39.018 1.00 60.02 C ATOM 1606 OG SER A 103 0.014 11.978 -38.353 1.00 65.12 O ATOM 0 H SER A 103 -2.932 11.697 -37.249 1.00 73.01 H new ATOM 0 HA SER A 103 -2.802 12.960 -39.859 1.00 33.42 H new ATOM 0 HB2 SER A 103 -0.439 13.099 -40.018 1.00 60.02 H new ATOM 0 HB3 SER A 103 -0.819 13.855 -38.484 1.00 60.02 H new ATOM 0 HG SER A 103 0.884 11.944 -38.803 1.00 65.12 H new ATOM 1612 N LEU A 104 -2.518 10.688 -40.832 1.00 64.02 N ATOM 1613 CA LEU A 104 -2.539 9.336 -41.379 1.00 72.14 C ATOM 1614 C LEU A 104 -1.328 9.091 -42.273 1.00 62.14 C ATOM 1615 O LEU A 104 -1.469 8.697 -43.431 1.00 4.43 O ATOM 1616 CB LEU A 104 -3.827 9.106 -42.172 1.00 71.30 C ATOM 1617 CG LEU A 104 -5.099 8.912 -41.345 1.00 64.11 C ATOM 1618 CD1 LEU A 104 -5.559 10.236 -40.756 1.00 11.11 C ATOM 1619 CD2 LEU A 104 -6.199 8.293 -42.195 1.00 45.02 C ATOM 0 H LEU A 104 -2.725 11.421 -41.511 1.00 64.02 H new ATOM 0 HA LEU A 104 -2.501 8.633 -40.547 1.00 72.14 H new ATOM 0 HB2 LEU A 104 -3.977 9.956 -42.838 1.00 71.30 H new ATOM 0 HB3 LEU A 104 -3.690 8.227 -42.802 1.00 71.30 H new ATOM 0 HG LEU A 104 -4.876 8.231 -40.524 1.00 64.11 H new ATOM 0 HD11 LEU A 104 -6.465 10.079 -40.171 1.00 11.11 H new ATOM 0 HD12 LEU A 104 -4.777 10.639 -40.113 1.00 11.11 H new ATOM 0 HD13 LEU A 104 -5.765 10.941 -41.562 1.00 11.11 H new ATOM 0 HD21 LEU A 104 -7.096 8.162 -41.590 1.00 45.02 H new ATOM 0 HD22 LEU A 104 -6.421 8.949 -43.037 1.00 45.02 H new ATOM 0 HD23 LEU A 104 -5.869 7.324 -42.568 1.00 45.02 H new ATOM 1631 N GLU A 105 -0.139 9.324 -41.727 1.00 44.51 N ATOM 1632 CA GLU A 105 1.097 9.127 -42.476 1.00 2.53 C ATOM 1633 C GLU A 105 1.468 7.648 -42.534 1.00 52.34 C ATOM 1634 O GLU A 105 2.408 7.206 -41.874 1.00 21.42 O ATOM 1635 CB GLU A 105 2.237 9.925 -41.840 1.00 5.42 C ATOM 1636 CG GLU A 105 2.364 11.341 -42.378 1.00 61.41 C ATOM 1637 CD GLU A 105 3.013 12.286 -41.386 1.00 14.31 C ATOM 1638 OE1 GLU A 105 2.531 12.363 -40.237 1.00 12.24 O ATOM 1639 OE2 GLU A 105 4.003 12.949 -41.760 1.00 12.54 O ATOM 0 H GLU A 105 -0.005 9.649 -40.770 1.00 44.51 H new ATOM 0 HA GLU A 105 0.936 9.484 -43.493 1.00 2.53 H new ATOM 0 HB2 GLU A 105 2.082 9.968 -40.762 1.00 5.42 H new ATOM 0 HB3 GLU A 105 3.176 9.397 -42.006 1.00 5.42 H new ATOM 0 HG2 GLU A 105 2.951 11.325 -43.296 1.00 61.41 H new ATOM 0 HG3 GLU A 105 1.375 11.717 -42.638 1.00 61.41 H new ATOM 1646 N HIS A 106 0.721 6.888 -43.330 1.00 5.43 N ATOM 1647 CA HIS A 106 0.971 5.459 -43.475 1.00 72.33 C ATOM 1648 C HIS A 106 2.265 5.208 -44.243 1.00 5.42 C ATOM 1649 O HIS A 106 3.235 4.687 -43.691 1.00 61.45 O ATOM 1650 CB HIS A 106 -0.200 4.786 -44.193 1.00 65.13 C ATOM 1651 CG HIS A 106 -0.109 3.291 -44.215 1.00 15.11 C ATOM 1652 ND1 HIS A 106 -0.644 2.491 -43.227 1.00 65.43 N ATOM 1653 CD2 HIS A 106 0.456 2.451 -45.113 1.00 55.14 C ATOM 1654 CE1 HIS A 106 -0.409 1.223 -43.516 1.00 54.04 C ATOM 1655 NE2 HIS A 106 0.256 1.172 -44.656 1.00 72.34 N ATOM 0 H HIS A 106 -0.061 7.238 -43.883 1.00 5.43 H new ATOM 0 HA HIS A 106 1.072 5.030 -42.478 1.00 72.33 H new ATOM 0 HB2 HIS A 106 -1.130 5.078 -43.706 1.00 65.13 H new ATOM 0 HB3 HIS A 106 -0.247 5.154 -45.218 1.00 65.13 H new ATOM 0 HD2 HIS A 106 0.969 2.734 -46.020 1.00 55.14 H new ATOM 0 HE1 HIS A 106 -0.710 0.373 -42.921 1.00 54.04 H new ATOM 0 HE2 HIS A 106 0.570 0.320 -45.121 1.00 72.34 H new ATOM 1663 N HIS A 107 2.274 5.583 -45.518 1.00 53.22 N ATOM 1664 CA HIS A 107 3.449 5.399 -46.362 1.00 4.14 C ATOM 1665 C HIS A 107 4.099 6.740 -46.688 1.00 41.32 C ATOM 1666 O HIS A 107 3.416 7.755 -46.826 1.00 52.53 O ATOM 1667 CB HIS A 107 3.068 4.676 -47.654 1.00 22.35 C ATOM 1668 CG HIS A 107 2.266 5.518 -48.597 1.00 61.12 C ATOM 1669 ND1 HIS A 107 0.918 5.757 -48.433 1.00 20.24 N ATOM 1670 CD2 HIS A 107 2.630 6.180 -49.720 1.00 53.51 C ATOM 1671 CE1 HIS A 107 0.487 6.528 -49.414 1.00 52.44 C ATOM 1672 NE2 HIS A 107 1.506 6.800 -50.209 1.00 42.22 N ATOM 0 H HIS A 107 1.480 6.016 -45.990 1.00 53.22 H new ATOM 0 HA HIS A 107 4.168 4.791 -45.813 1.00 4.14 H new ATOM 0 HB2 HIS A 107 3.977 4.346 -48.158 1.00 22.35 H new ATOM 0 HB3 HIS A 107 2.498 3.781 -47.405 1.00 22.35 H new ATOM 0 HD2 HIS A 107 3.620 6.214 -50.151 1.00 53.51 H new ATOM 0 HE1 HIS A 107 -0.527 6.877 -49.544 1.00 52.44 H new ATOM 0 HE2 HIS A 107 1.465 7.377 -51.049 1.00 42.22 H new ATOM 1680 N HIS A 108 5.423 6.737 -46.810 1.00 12.32 N ATOM 1681 CA HIS A 108 6.165 7.954 -47.120 1.00 52.11 C ATOM 1682 C HIS A 108 6.389 8.086 -48.624 1.00 35.44 C ATOM 1683 O HIS A 108 5.930 7.252 -49.405 1.00 74.11 O ATOM 1684 CB HIS A 108 7.509 7.957 -46.391 1.00 14.34 C ATOM 1685 CG HIS A 108 7.380 7.973 -44.898 1.00 70.05 C ATOM 1686 ND1 HIS A 108 6.810 9.019 -44.203 1.00 65.31 N ATOM 1687 CD2 HIS A 108 7.750 7.062 -43.968 1.00 71.24 C ATOM 1688 CE1 HIS A 108 6.837 8.751 -42.910 1.00 22.12 C ATOM 1689 NE2 HIS A 108 7.402 7.569 -42.741 1.00 32.14 N ATOM 0 H HIS A 108 6.004 5.906 -46.699 1.00 12.32 H new ATOM 0 HA HIS A 108 5.575 8.806 -46.782 1.00 52.11 H new ATOM 0 HB2 HIS A 108 8.077 7.076 -46.689 1.00 14.34 H new ATOM 0 HB3 HIS A 108 8.083 8.828 -46.707 1.00 14.34 H new ATOM 0 HD2 HIS A 108 8.230 6.113 -44.156 1.00 71.24 H new ATOM 0 HE1 HIS A 108 6.461 9.390 -42.124 1.00 22.12 H new ATOM 0 HE2 HIS A 108 7.555 7.108 -41.844 1.00 32.14 H new ATOM 1697 N HIS A 109 7.096 9.138 -49.022 1.00 52.30 N ATOM 1698 CA HIS A 109 7.380 9.379 -50.432 1.00 60.13 C ATOM 1699 C HIS A 109 8.865 9.654 -50.648 1.00 22.21 C ATOM 1700 O HIS A 109 9.244 10.396 -51.554 1.00 44.51 O ATOM 1701 CB HIS A 109 6.551 10.556 -50.948 1.00 24.03 C ATOM 1702 CG HIS A 109 5.077 10.382 -50.751 1.00 11.33 C ATOM 1703 ND1 HIS A 109 4.206 10.115 -51.786 1.00 33.25 N ATOM 1704 CD2 HIS A 109 4.321 10.438 -49.629 1.00 70.53 C ATOM 1705 CE1 HIS A 109 2.978 10.015 -51.309 1.00 75.25 C ATOM 1706 NE2 HIS A 109 3.020 10.206 -50.003 1.00 41.12 N ATOM 0 H HIS A 109 7.483 9.837 -48.388 1.00 52.30 H new ATOM 0 HA HIS A 109 7.110 8.482 -50.990 1.00 60.13 H new ATOM 0 HB2 HIS A 109 6.872 11.466 -50.441 1.00 24.03 H new ATOM 0 HB3 HIS A 109 6.753 10.694 -52.010 1.00 24.03 H new ATOM 0 HD2 HIS A 109 4.675 10.629 -48.627 1.00 70.53 H new ATOM 0 HE1 HIS A 109 2.090 9.811 -51.889 1.00 75.25 H new ATOM 0 HE2 HIS A 109 2.217 10.185 -49.374 1.00 41.12 H new ATOM 1714 N HIS A 110 9.702 9.051 -49.809 1.00 73.10 N ATOM 1715 CA HIS A 110 11.146 9.231 -49.908 1.00 53.10 C ATOM 1716 C HIS A 110 11.799 8.025 -50.575 1.00 63.33 C ATOM 1717 O HIS A 110 12.052 7.006 -49.930 1.00 54.52 O ATOM 1718 CB HIS A 110 11.750 9.451 -48.521 1.00 32.33 C ATOM 1719 CG HIS A 110 13.097 10.105 -48.551 1.00 31.33 C ATOM 1720 ND1 HIS A 110 14.139 9.647 -49.330 1.00 35.13 N ATOM 1721 CD2 HIS A 110 13.569 11.189 -47.893 1.00 4.12 C ATOM 1722 CE1 HIS A 110 15.194 10.420 -49.148 1.00 50.43 C ATOM 1723 NE2 HIS A 110 14.875 11.364 -48.281 1.00 52.32 N ATOM 0 H HIS A 110 9.405 8.434 -49.053 1.00 73.10 H new ATOM 0 HA HIS A 110 11.336 10.111 -50.522 1.00 53.10 H new ATOM 0 HB2 HIS A 110 11.070 10.065 -47.931 1.00 32.33 H new ATOM 0 HB3 HIS A 110 11.833 8.490 -48.013 1.00 32.33 H new ATOM 0 HD2 HIS A 110 13.021 11.802 -47.193 1.00 4.12 H new ATOM 0 HE1 HIS A 110 16.155 10.301 -49.627 1.00 50.43 H new ATOM 0 HE2 HIS A 110 15.497 12.103 -47.953 1.00 52.32 H new ATOM 1731 N HIS A 111 12.070 8.146 -51.871 1.00 24.30 N ATOM 1732 CA HIS A 111 12.695 7.065 -52.626 1.00 34.23 C ATOM 1733 C HIS A 111 14.134 6.844 -52.170 1.00 13.24 C ATOM 1734 O HIS A 111 14.999 7.694 -52.382 1.00 43.10 O ATOM 1735 CB HIS A 111 12.664 7.375 -54.122 1.00 54.55 C ATOM 1736 CG HIS A 111 11.306 7.758 -54.627 1.00 21.41 C ATOM 1737 ND1 HIS A 111 10.357 6.833 -55.007 1.00 72.34 N ATOM 1738 CD2 HIS A 111 10.740 8.973 -54.811 1.00 11.21 C ATOM 1739 CE1 HIS A 111 9.266 7.463 -55.405 1.00 60.23 C ATOM 1740 NE2 HIS A 111 9.472 8.763 -55.295 1.00 63.24 N ATOM 0 H HIS A 111 11.867 8.981 -52.420 1.00 24.30 H new ATOM 0 HA HIS A 111 12.130 6.152 -52.440 1.00 34.23 H new ATOM 0 HB2 HIS A 111 13.362 8.185 -54.331 1.00 54.55 H new ATOM 0 HB3 HIS A 111 13.015 6.502 -54.673 1.00 54.55 H new ATOM 0 HD2 HIS A 111 11.200 9.930 -54.614 1.00 11.21 H new ATOM 0 HE1 HIS A 111 8.360 6.995 -55.760 1.00 60.23 H new ATOM 0 HE2 HIS A 111 8.799 9.492 -55.531 1.00 63.24 H new TER 1748 HIS A 111