USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 931 hydrogens (64 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.834 X(o=-0.83,f=-0.38) USER MOD Set 2.1: A 107 HIS : no HD1:sc= -0.0897 X(o=-0.16,f=-0.22) USER MOD Set 2.2: A 108 HIS : no HD1:sc= -0.0702 X(o=-0.16,f=-0.33) USER MOD Set 3.1: A 86 GLN : amide:sc= -1.27 K(o=-1.5,f=0.35) USER MOD Set 3.2: A 88 LYS NZ :NH3+ 161:sc= -0.22 (180deg=0) USER MOD Set 4.1: A 62 THR OG1 : rot 46:sc= -0.119 USER MOD Set 4.2: A 92 SER OG : rot 50:sc= -0.564 USER MOD Set 5.1: A 30 GLN : amide:sc= -4.95! C(o=-12!,f=-15!) USER MOD Set 5.2: A 32 ASN : amide:sc= -3.61! C(o=-12!,f=-17!) USER MOD Set 5.3: A 41 GLN : amide:sc= -3.07 K(o=-12,f=-19!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0301 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0044 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc=-0.00644 X(o=-0.0064,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 147:sc= -0.152 (180deg=-0.76) USER MOD Single : A 53 GLN : amide:sc= -2.56 X(o=-2.6,f=-3) USER MOD Single : A 58 SER OG : rot 57:sc= 0.583 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.717 USER MOD Single : A 70 MET CE :methyl -150:sc= -8.08! (180deg=-10.5!) USER MOD Single : A 74 SER OG : rot 100:sc= -0.695 USER MOD Single : A 77 THR OG1 : rot -61:sc= 1.25 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=-0.12) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 201 PLM O1 : rot 130:sc= -0.965 USER MOD Single : A 202 PLM O1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.349 0.266 1.068 1.00 30.34 N ATOM 2 CA MET A 1 2.915 0.046 -0.257 1.00 43.23 C ATOM 3 C MET A 1 3.950 -1.073 -0.228 1.00 31.55 C ATOM 4 O MET A 1 5.147 -0.829 -0.381 1.00 14.10 O ATOM 5 CB MET A 1 3.552 1.334 -0.784 1.00 53.32 C ATOM 6 CG MET A 1 2.541 2.409 -1.146 1.00 61.53 C ATOM 7 SD MET A 1 3.034 3.367 -2.592 1.00 43.22 S ATOM 8 CE MET A 1 1.812 2.830 -3.786 1.00 4.20 C ATOM 0 H1 MET A 1 1.647 1.032 1.023 1.00 30.34 H new ATOM 0 H2 MET A 1 1.889 -0.606 1.398 1.00 30.34 H new ATOM 0 H3 MET A 1 3.107 0.529 1.730 1.00 30.34 H new ATOM 0 HA MET A 1 2.106 -0.250 -0.925 1.00 43.23 H new ATOM 0 HB2 MET A 1 4.234 1.727 -0.030 1.00 53.32 H new ATOM 0 HB3 MET A 1 4.151 1.099 -1.664 1.00 53.32 H new ATOM 0 HG2 MET A 1 1.574 1.944 -1.336 1.00 61.53 H new ATOM 0 HG3 MET A 1 2.411 3.080 -0.297 1.00 61.53 H new ATOM 0 HE1 MET A 1 1.985 3.336 -4.736 1.00 4.20 H new ATOM 0 HE2 MET A 1 1.892 1.752 -3.929 1.00 4.20 H new ATOM 0 HE3 MET A 1 0.815 3.074 -3.421 1.00 4.20 H new ATOM 18 N SER A 2 3.482 -2.301 -0.030 1.00 23.13 N ATOM 19 CA SER A 2 4.368 -3.458 0.023 1.00 70.22 C ATOM 20 C SER A 2 4.004 -4.472 -1.055 1.00 60.42 C ATOM 21 O SER A 2 3.088 -4.252 -1.847 1.00 33.03 O ATOM 22 CB SER A 2 4.299 -4.116 1.403 1.00 14.01 C ATOM 23 OG SER A 2 5.477 -4.858 1.673 1.00 44.23 O ATOM 0 H SER A 2 2.494 -2.521 0.096 1.00 23.13 H new ATOM 0 HA SER A 2 5.386 -3.113 -0.158 1.00 70.22 H new ATOM 0 HB2 SER A 2 4.164 -3.351 2.168 1.00 14.01 H new ATOM 0 HB3 SER A 2 3.431 -4.774 1.453 1.00 14.01 H new ATOM 0 HG SER A 2 5.410 -5.267 2.561 1.00 44.23 H new ATOM 29 N VAL A 3 4.729 -5.587 -1.082 1.00 5.10 N ATOM 30 CA VAL A 3 4.483 -6.636 -2.062 1.00 74.43 C ATOM 31 C VAL A 3 2.997 -6.970 -2.149 1.00 53.33 C ATOM 32 O VAL A 3 2.507 -7.392 -3.195 1.00 14.34 O ATOM 33 CB VAL A 3 5.265 -7.919 -1.720 1.00 11.31 C ATOM 34 CG1 VAL A 3 4.833 -9.065 -2.622 1.00 62.02 C ATOM 35 CG2 VAL A 3 6.763 -7.674 -1.835 1.00 71.40 C ATOM 0 H VAL A 3 5.492 -5.786 -0.435 1.00 5.10 H new ATOM 0 HA VAL A 3 4.825 -6.255 -3.024 1.00 74.43 H new ATOM 0 HB VAL A 3 5.042 -8.197 -0.690 1.00 11.31 H new ATOM 0 HG11 VAL A 3 5.396 -9.962 -2.365 1.00 62.02 H new ATOM 0 HG12 VAL A 3 3.768 -9.254 -2.486 1.00 62.02 H new ATOM 0 HG13 VAL A 3 5.025 -8.801 -3.662 1.00 62.02 H new ATOM 0 HG21 VAL A 3 7.301 -8.590 -1.590 1.00 71.40 H new ATOM 0 HG22 VAL A 3 7.005 -7.372 -2.854 1.00 71.40 H new ATOM 0 HG23 VAL A 3 7.057 -6.885 -1.143 1.00 71.40 H new ATOM 45 N GLU A 4 2.287 -6.775 -1.042 1.00 43.03 N ATOM 46 CA GLU A 4 0.857 -7.056 -0.994 1.00 11.43 C ATOM 47 C GLU A 4 0.111 -6.270 -2.069 1.00 22.33 C ATOM 48 O GLU A 4 -0.780 -6.798 -2.735 1.00 35.51 O ATOM 49 CB GLU A 4 0.293 -6.713 0.387 1.00 73.40 C ATOM 50 CG GLU A 4 -1.223 -6.783 0.459 1.00 34.13 C ATOM 51 CD GLU A 4 -1.732 -6.938 1.880 1.00 73.21 C ATOM 52 OE1 GLU A 4 -2.932 -6.681 2.111 1.00 60.22 O ATOM 53 OE2 GLU A 4 -0.931 -7.315 2.760 1.00 42.52 O1- ATOM 0 H GLU A 4 2.678 -6.424 -0.168 1.00 43.03 H new ATOM 0 HA GLU A 4 0.716 -8.120 -1.183 1.00 11.43 H new ATOM 0 HB2 GLU A 4 0.715 -7.397 1.123 1.00 73.40 H new ATOM 0 HB3 GLU A 4 0.616 -5.709 0.663 1.00 73.40 H new ATOM 0 HG2 GLU A 4 -1.646 -5.879 0.022 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -1.573 -7.622 -0.142 1.00 34.13 H new ATOM 60 N THR A 5 0.484 -5.004 -2.234 1.00 74.04 N ATOM 61 CA THR A 5 -0.149 -4.144 -3.225 1.00 61.14 C ATOM 62 C THR A 5 0.376 -4.441 -4.625 1.00 11.11 C ATOM 63 O THR A 5 -0.267 -4.111 -5.622 1.00 53.10 O ATOM 64 CB THR A 5 0.081 -2.655 -2.907 1.00 23.45 C ATOM 65 OG1 THR A 5 -0.886 -1.852 -3.591 1.00 72.15 O ATOM 66 CG2 THR A 5 1.484 -2.226 -3.315 1.00 71.31 C ATOM 0 H THR A 5 1.222 -4.552 -1.693 1.00 74.04 H new ATOM 0 HA THR A 5 -1.218 -4.353 -3.189 1.00 61.14 H new ATOM 0 HB THR A 5 -0.028 -2.515 -1.832 1.00 23.45 H new ATOM 0 HG1 THR A 5 -0.733 -0.907 -3.382 1.00 72.15 H new ATOM 0 HG21 THR A 5 1.624 -1.171 -3.081 1.00 71.31 H new ATOM 0 HG22 THR A 5 2.219 -2.819 -2.770 1.00 71.31 H new ATOM 0 HG23 THR A 5 1.615 -2.381 -4.386 1.00 71.31 H new ATOM 74 N ILE A 6 1.547 -5.065 -4.692 1.00 14.44 N ATOM 75 CA ILE A 6 2.157 -5.407 -5.971 1.00 13.03 C ATOM 76 C ILE A 6 1.549 -6.681 -6.547 1.00 73.35 C ATOM 77 O ILE A 6 1.114 -6.709 -7.698 1.00 33.51 O ATOM 78 CB ILE A 6 3.680 -5.594 -5.836 1.00 41.41 C ATOM 79 CG1 ILE A 6 4.260 -4.556 -4.872 1.00 24.24 C ATOM 80 CG2 ILE A 6 4.349 -5.491 -7.199 1.00 42.51 C ATOM 81 CD1 ILE A 6 3.921 -3.130 -5.246 1.00 64.21 C ATOM 0 H ILE A 6 2.092 -5.344 -3.876 1.00 14.44 H new ATOM 0 HA ILE A 6 1.960 -4.575 -6.647 1.00 13.03 H new ATOM 0 HB ILE A 6 3.875 -6.587 -5.431 1.00 41.41 H new ATOM 0 HG12 ILE A 6 3.889 -4.758 -3.867 1.00 24.24 H new ATOM 0 HG13 ILE A 6 5.344 -4.667 -4.840 1.00 24.24 H new ATOM 0 HG21 ILE A 6 5.425 -5.625 -7.087 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.953 -6.264 -7.858 1.00 42.51 H new ATOM 0 HG23 ILE A 6 4.149 -4.510 -7.629 1.00 42.51 H new ATOM 0 HD11 ILE A 6 4.364 -2.448 -4.520 1.00 64.21 H new ATOM 0 HD12 ILE A 6 4.316 -2.910 -6.238 1.00 64.21 H new ATOM 0 HD13 ILE A 6 2.839 -3.002 -5.250 1.00 64.21 H new ATOM 93 N ILE A 7 1.521 -7.735 -5.737 1.00 51.41 N ATOM 94 CA ILE A 7 0.963 -9.012 -6.165 1.00 0.02 C ATOM 95 C ILE A 7 -0.552 -8.929 -6.312 1.00 53.31 C ATOM 96 O ILE A 7 -1.149 -9.656 -7.105 1.00 54.10 O ATOM 97 CB ILE A 7 1.311 -10.138 -5.174 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.810 -10.443 -5.219 1.00 70.25 C ATOM 99 CG2 ILE A 7 0.501 -11.388 -5.488 1.00 54.25 C ATOM 100 CD1 ILE A 7 3.285 -10.942 -6.567 1.00 52.51 C ATOM 0 H ILE A 7 1.878 -7.729 -4.782 1.00 51.41 H new ATOM 0 HA ILE A 7 1.407 -9.241 -7.134 1.00 0.02 H new ATOM 0 HB ILE A 7 1.057 -9.807 -4.167 1.00 13.24 H new ATOM 0 HG12 ILE A 7 3.364 -9.541 -4.959 1.00 70.25 H new ATOM 0 HG13 ILE A 7 3.043 -11.191 -4.461 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.758 -12.175 -4.779 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -0.562 -11.162 -5.410 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.727 -11.723 -6.500 1.00 54.25 H new ATOM 0 HD11 ILE A 7 4.356 -11.138 -6.526 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.758 -11.861 -6.821 1.00 52.51 H new ATOM 0 HD13 ILE A 7 3.083 -10.186 -7.326 1.00 52.51 H new ATOM 112 N GLU A 8 -1.167 -8.035 -5.544 1.00 35.43 N ATOM 113 CA GLU A 8 -2.614 -7.856 -5.590 1.00 71.25 C ATOM 114 C GLU A 8 -3.074 -7.501 -7.000 1.00 71.52 C ATOM 115 O GLU A 8 -4.105 -7.985 -7.468 1.00 32.54 O ATOM 116 CB GLU A 8 -3.045 -6.762 -4.610 1.00 71.25 C ATOM 117 CG GLU A 8 -3.571 -7.300 -3.289 1.00 15.12 C ATOM 118 CD GLU A 8 -5.049 -7.628 -3.339 1.00 1.01 C ATOM 119 OE1 GLU A 8 -5.850 -6.842 -2.792 1.00 75.25 O ATOM 120 OE2 GLU A 8 -5.407 -8.671 -3.926 1.00 14.41 O1- ATOM 0 H GLU A 8 -0.687 -7.424 -4.883 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.081 -8.798 -5.301 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -2.196 -6.107 -4.414 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -3.817 -6.151 -5.077 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -3.013 -8.196 -3.018 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.392 -6.564 -2.505 1.00 15.12 H new ATOM 127 N ARG A 9 -2.302 -6.654 -7.673 1.00 14.15 N ATOM 128 CA ARG A 9 -2.630 -6.234 -9.029 1.00 33.34 C ATOM 129 C ARG A 9 -2.343 -7.348 -10.029 1.00 22.34 C ATOM 130 O ARG A 9 -3.036 -7.486 -11.038 1.00 52.23 O ATOM 131 CB ARG A 9 -1.836 -4.981 -9.404 1.00 41.22 C ATOM 132 CG ARG A 9 -2.710 -3.792 -9.770 1.00 63.41 C ATOM 133 CD ARG A 9 -2.448 -2.605 -8.854 1.00 44.44 C ATOM 134 NE ARG A 9 -3.676 -1.888 -8.523 1.00 1.20 N ATOM 135 CZ ARG A 9 -4.542 -2.301 -7.605 1.00 43.43 C ATOM 136 NH1 ARG A 9 -4.316 -3.420 -6.931 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -5.638 -1.594 -7.359 1.00 51.24 N ATOM 0 H ARG A 9 -1.445 -6.245 -7.301 1.00 14.15 H new ATOM 0 HA ARG A 9 -3.695 -6.005 -9.063 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -1.193 -4.705 -8.568 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -1.183 -5.213 -10.245 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -2.520 -3.504 -10.804 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -3.760 -4.077 -9.706 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -1.973 -2.953 -7.937 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -1.748 -1.922 -9.336 1.00 44.44 H new ATOM 0 HE ARG A 9 -3.880 -1.023 -9.024 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -3.475 -3.966 -7.117 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -4.983 -3.735 -6.226 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -5.816 -0.732 -7.875 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -6.303 -1.912 -6.654 1.00 51.24 H new ATOM 151 N ILE A 10 -1.316 -8.142 -9.744 1.00 40.41 N ATOM 152 CA ILE A 10 -0.937 -9.246 -10.618 1.00 14.34 C ATOM 153 C ILE A 10 -2.022 -10.316 -10.652 1.00 62.03 C ATOM 154 O ILE A 10 -2.534 -10.662 -11.717 1.00 74.00 O ATOM 155 CB ILE A 10 0.389 -9.888 -10.171 1.00 5.51 C ATOM 156 CG1 ILE A 10 1.554 -8.923 -10.404 1.00 24.51 C ATOM 157 CG2 ILE A 10 0.620 -11.196 -10.913 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.749 -9.193 -9.518 1.00 13.02 C ATOM 0 H ILE A 10 -0.731 -8.041 -8.914 1.00 40.41 H new ATOM 0 HA ILE A 10 -0.810 -8.829 -11.617 1.00 14.34 H new ATOM 0 HB ILE A 10 0.330 -10.103 -9.104 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.864 -8.986 -11.447 1.00 24.51 H new ATOM 0 HG13 ILE A 10 1.210 -7.903 -10.235 1.00 24.51 H new ATOM 0 HG21 ILE A 10 1.561 -11.638 -10.586 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -0.198 -11.885 -10.700 1.00 55.12 H new ATOM 0 HG23 ILE A 10 0.662 -11.004 -11.985 1.00 55.12 H new ATOM 0 HD11 ILE A 10 3.536 -8.471 -9.738 1.00 13.02 H new ATOM 0 HD12 ILE A 10 2.455 -9.102 -8.472 1.00 13.02 H new ATOM 0 HD13 ILE A 10 3.119 -10.201 -9.704 1.00 13.02 H new ATOM 170 N LYS A 11 -2.369 -10.837 -9.481 1.00 61.13 N ATOM 171 CA LYS A 11 -3.396 -11.867 -9.375 1.00 50.23 C ATOM 172 C LYS A 11 -4.691 -11.415 -10.042 1.00 62.52 C ATOM 173 O LYS A 11 -5.349 -12.193 -10.734 1.00 43.22 O ATOM 174 CB LYS A 11 -3.659 -12.205 -7.906 1.00 4.34 C ATOM 175 CG LYS A 11 -3.987 -10.992 -7.051 1.00 75.22 C ATOM 176 CD LYS A 11 -3.725 -11.261 -5.578 1.00 21.30 C ATOM 177 CE LYS A 11 -4.376 -12.558 -5.124 1.00 45.52 C ATOM 178 NZ LYS A 11 -4.305 -12.726 -3.646 1.00 13.21 N1+ ATOM 0 H LYS A 11 -1.954 -10.563 -8.591 1.00 61.13 H new ATOM 0 HA LYS A 11 -3.035 -12.758 -9.888 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -4.485 -12.914 -7.847 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -2.781 -12.703 -7.494 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -3.388 -10.142 -7.379 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -5.033 -10.719 -7.192 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -2.651 -11.311 -5.402 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -4.108 -10.432 -4.982 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -5.419 -12.572 -5.441 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -3.884 -13.401 -5.609 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -4.759 -13.622 -3.376 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -3.309 -12.738 -3.345 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -4.797 -11.935 -3.183 1.00 13.21 H new ATOM 192 N ALA A 12 -5.051 -10.153 -9.831 1.00 55.14 N ATOM 193 CA ALA A 12 -6.265 -9.597 -10.416 1.00 34.34 C ATOM 194 C ALA A 12 -6.291 -9.802 -11.927 1.00 55.24 C ATOM 195 O ALA A 12 -7.305 -10.212 -12.490 1.00 10.40 O ATOM 196 CB ALA A 12 -6.383 -8.119 -10.079 1.00 45.33 C ATOM 0 H ALA A 12 -4.519 -9.497 -9.259 1.00 55.14 H new ATOM 0 HA ALA A 12 -7.119 -10.125 -9.991 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.294 -7.716 -10.522 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -6.420 -7.994 -8.997 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -5.520 -7.585 -10.476 1.00 45.33 H new ATOM 202 N ARG A 13 -5.169 -9.512 -12.577 1.00 1.42 N ATOM 203 CA ARG A 13 -5.064 -9.663 -14.023 1.00 42.34 C ATOM 204 C ARG A 13 -4.973 -11.136 -14.412 1.00 75.41 C ATOM 205 O ARG A 13 -5.573 -11.567 -15.395 1.00 71.34 O ATOM 206 CB ARG A 13 -3.840 -8.910 -14.548 1.00 55.21 C ATOM 207 CG ARG A 13 -3.838 -7.431 -14.196 1.00 12.20 C ATOM 208 CD ARG A 13 -4.971 -6.691 -14.891 1.00 25.52 C ATOM 209 NE ARG A 13 -5.562 -5.666 -14.034 1.00 14.11 N ATOM 210 CZ ARG A 13 -6.704 -5.046 -14.311 1.00 35.11 C ATOM 211 NH1 ARG A 13 -7.373 -5.345 -15.415 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -7.177 -4.124 -13.482 1.00 54.31 N ATOM 0 H ARG A 13 -4.320 -9.171 -12.125 1.00 1.42 H new ATOM 0 HA ARG A 13 -5.963 -9.241 -14.473 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -2.939 -9.372 -14.145 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -3.795 -9.017 -15.632 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -3.933 -7.313 -13.117 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -2.884 -6.989 -14.482 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -4.596 -6.228 -15.804 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -5.741 -7.403 -15.188 1.00 25.52 H new ATOM 0 HE ARG A 13 -5.071 -5.413 -13.176 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -7.012 -6.053 -16.055 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -8.249 -4.868 -15.625 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -6.664 -3.891 -12.632 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -8.054 -3.648 -13.695 1.00 54.31 H new ATOM 226 N VAL A 14 -4.216 -11.902 -13.632 1.00 22.42 N ATOM 227 CA VAL A 14 -4.046 -13.326 -13.894 1.00 65.13 C ATOM 228 C VAL A 14 -5.391 -14.008 -14.119 1.00 11.41 C ATOM 229 O VAL A 14 -5.596 -14.683 -15.126 1.00 11.41 O ATOM 230 CB VAL A 14 -3.317 -14.027 -12.733 1.00 21.10 C ATOM 231 CG1 VAL A 14 -3.156 -15.512 -13.021 1.00 11.02 C ATOM 232 CG2 VAL A 14 -1.965 -13.374 -12.482 1.00 61.14 C ATOM 0 H VAL A 14 -3.711 -11.560 -12.814 1.00 22.42 H new ATOM 0 HA VAL A 14 -3.442 -13.411 -14.798 1.00 65.13 H new ATOM 0 HB VAL A 14 -3.920 -13.920 -11.831 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -2.639 -15.990 -12.189 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -4.139 -15.967 -13.147 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -2.575 -15.645 -13.934 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -1.463 -13.882 -11.658 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -1.353 -13.448 -13.381 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -2.110 -12.324 -12.227 1.00 61.14 H new ATOM 242 N GLY A 15 -6.308 -13.825 -13.172 1.00 21.44 N ATOM 243 CA GLY A 15 -7.622 -14.429 -13.286 1.00 52.30 C ATOM 244 C GLY A 15 -8.578 -13.585 -14.106 1.00 73.25 C ATOM 245 O GLY A 15 -9.772 -13.875 -14.173 1.00 42.21 O ATOM 0 H GLY A 15 -6.163 -13.269 -12.329 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -7.528 -15.414 -13.743 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.037 -14.579 -12.290 1.00 52.30 H new ATOM 249 N ALA A 16 -8.052 -12.536 -14.732 1.00 11.20 N ATOM 250 CA ALA A 16 -8.867 -11.648 -15.552 1.00 51.25 C ATOM 251 C ALA A 16 -8.379 -11.632 -16.996 1.00 3.23 C ATOM 252 O ALA A 16 -8.902 -10.893 -17.830 1.00 4.14 O ATOM 253 CB ALA A 16 -8.859 -10.240 -14.973 1.00 14.21 C ATOM 0 H ALA A 16 -7.065 -12.281 -14.687 1.00 11.20 H new ATOM 0 HA ALA A 16 -9.890 -12.025 -15.547 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.471 -9.587 -15.595 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -9.263 -10.260 -13.961 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -7.837 -9.863 -14.948 1.00 14.21 H new ATOM 259 N VAL A 17 -7.371 -12.450 -17.284 1.00 61.40 N ATOM 260 CA VAL A 17 -6.812 -12.530 -18.629 1.00 25.41 C ATOM 261 C VAL A 17 -7.908 -12.735 -19.668 1.00 62.03 C ATOM 262 O VAL A 17 -8.857 -13.487 -19.445 1.00 65.32 O ATOM 263 CB VAL A 17 -5.790 -13.676 -18.743 1.00 5.11 C ATOM 264 CG1 VAL A 17 -5.501 -13.990 -20.203 1.00 42.13 C ATOM 265 CG2 VAL A 17 -4.510 -13.324 -18.002 1.00 53.34 C ATOM 0 H VAL A 17 -6.925 -13.066 -16.604 1.00 61.40 H new ATOM 0 HA VAL A 17 -6.308 -11.583 -18.820 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.216 -14.567 -18.282 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -4.777 -14.802 -20.264 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -6.424 -14.288 -20.701 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -5.095 -13.105 -20.692 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -3.799 -14.145 -18.093 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -4.078 -12.420 -18.432 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -4.734 -13.154 -16.949 1.00 53.34 H new ATOM 275 N ASP A 18 -7.770 -12.063 -20.805 1.00 53.03 N ATOM 276 CA ASP A 18 -8.748 -12.172 -21.882 1.00 53.12 C ATOM 277 C ASP A 18 -8.222 -13.060 -23.005 1.00 33.02 C ATOM 278 O ASP A 18 -7.031 -13.070 -23.315 1.00 11.13 O ATOM 279 CB ASP A 18 -9.092 -10.785 -22.429 1.00 41.05 C ATOM 280 CG ASP A 18 -10.108 -10.060 -21.570 1.00 3.44 C ATOM 281 OD1 ASP A 18 -10.403 -10.549 -20.458 1.00 41.35 O ATOM 282 OD2 ASP A 18 -10.609 -9.003 -22.007 1.00 43.50 O1- ATOM 0 H ASP A 18 -6.990 -11.437 -21.005 1.00 53.03 H new ATOM 0 HA ASP A 18 -9.651 -12.628 -21.476 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -8.183 -10.187 -22.494 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -9.481 -10.884 -23.442 1.00 41.05 H new ATOM 287 N PRO A 19 -9.130 -13.824 -23.630 1.00 61.33 N ATOM 288 CA PRO A 19 -8.782 -14.730 -24.728 1.00 24.45 C ATOM 289 C PRO A 19 -8.396 -13.980 -25.998 1.00 52.45 C ATOM 290 O PRO A 19 -7.895 -14.573 -26.952 1.00 60.01 O ATOM 291 CB PRO A 19 -10.067 -15.530 -24.950 1.00 44.51 C ATOM 292 CG PRO A 19 -11.157 -14.642 -24.455 1.00 61.04 C ATOM 293 CD PRO A 19 -10.568 -13.863 -23.312 1.00 65.12 C ATOM 0 HA PRO A 19 -7.916 -15.347 -24.488 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -10.204 -15.775 -26.003 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -10.046 -16.473 -24.404 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -11.506 -13.975 -25.243 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -12.017 -15.225 -24.127 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -10.993 -12.861 -23.248 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -10.755 -14.350 -22.355 1.00 65.12 H new ATOM 301 N ASN A 20 -8.632 -12.672 -26.002 1.00 14.21 N ATOM 302 CA ASN A 20 -8.309 -11.840 -27.156 1.00 51.20 C ATOM 303 C ASN A 20 -6.808 -11.572 -27.229 1.00 32.21 C ATOM 304 O ASN A 20 -6.234 -11.487 -28.314 1.00 25.02 O ATOM 305 CB ASN A 20 -9.072 -10.517 -27.087 1.00 64.43 C ATOM 306 CG ASN A 20 -10.214 -10.456 -28.083 1.00 2.35 C ATOM 307 OD1 ASN A 20 -10.213 -9.629 -28.996 1.00 4.13 O ATOM 308 ND2 ASN A 20 -11.196 -11.334 -27.912 1.00 52.44 N ATOM 0 H ASN A 20 -9.046 -12.165 -25.219 1.00 14.21 H new ATOM 0 HA ASN A 20 -8.609 -12.377 -28.056 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -9.464 -10.379 -26.079 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -8.384 -9.693 -27.277 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -11.991 -11.341 -28.551 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -11.155 -12.001 -27.142 1.00 52.44 H new ATOM 315 N GLY A 21 -6.178 -11.440 -26.066 1.00 50.52 N ATOM 316 CA GLY A 21 -4.751 -11.182 -26.019 1.00 62.51 C ATOM 317 C GLY A 21 -3.930 -12.450 -26.128 1.00 11.23 C ATOM 318 O GLY A 21 -3.590 -12.904 -27.221 1.00 25.24 O ATOM 0 H GLY A 21 -6.631 -11.507 -25.155 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -4.480 -10.506 -26.830 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -4.507 -10.674 -25.086 1.00 62.51 H new ATOM 322 N PRO A 22 -3.595 -13.044 -24.973 1.00 62.45 N ATOM 323 CA PRO A 22 -2.802 -14.276 -24.917 1.00 23.24 C ATOM 324 C PRO A 22 -3.576 -15.487 -25.428 1.00 51.52 C ATOM 325 O PRO A 22 -4.624 -15.345 -26.058 1.00 44.23 O ATOM 326 CB PRO A 22 -2.492 -14.431 -23.425 1.00 44.15 C ATOM 327 CG PRO A 22 -3.594 -13.704 -22.733 1.00 54.42 C ATOM 328 CD PRO A 22 -3.965 -12.559 -23.633 1.00 52.42 C ATOM 0 HA PRO A 22 -1.915 -14.218 -25.547 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -2.465 -15.481 -23.133 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -1.520 -14.006 -23.176 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -4.448 -14.360 -22.564 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -3.271 -13.344 -21.756 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -5.028 -12.326 -23.569 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -3.423 -11.650 -23.371 1.00 52.42 H new ATOM 336 N ARG A 23 -3.051 -16.677 -25.154 1.00 3.14 N ATOM 337 CA ARG A 23 -3.693 -17.912 -25.587 1.00 53.14 C ATOM 338 C ARG A 23 -3.451 -19.033 -24.580 1.00 53.31 C ATOM 339 O ARG A 23 -2.604 -18.915 -23.695 1.00 11.32 O ATOM 340 CB ARG A 23 -3.170 -18.327 -26.964 1.00 65.52 C ATOM 341 CG ARG A 23 -3.681 -17.453 -28.099 1.00 43.32 C ATOM 342 CD ARG A 23 -5.200 -17.455 -28.162 1.00 4.23 C ATOM 343 NE ARG A 23 -5.692 -17.847 -29.481 1.00 13.13 N ATOM 344 CZ ARG A 23 -5.732 -17.024 -30.523 1.00 63.53 C ATOM 345 NH1 ARG A 23 -5.312 -15.773 -30.401 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -6.194 -17.454 -31.691 1.00 32.33 N ATOM 0 H ARG A 23 -2.184 -16.812 -24.635 1.00 3.14 H new ATOM 0 HA ARG A 23 -4.766 -17.731 -25.652 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -2.081 -18.295 -26.954 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -3.457 -19.361 -27.156 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -3.323 -16.433 -27.964 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -3.276 -17.810 -29.046 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -5.593 -18.139 -27.410 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -5.575 -16.461 -27.916 1.00 4.23 H new ATOM 0 HE ARG A 23 -6.022 -18.804 -29.608 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -4.957 -15.439 -29.505 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -5.344 -15.144 -31.203 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -6.518 -18.416 -31.788 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -6.225 -16.822 -32.491 1.00 32.33 H new ATOM 360 N LYS A 24 -4.200 -20.121 -24.723 1.00 71.13 N ATOM 361 CA LYS A 24 -4.068 -21.264 -23.828 1.00 41.04 C ATOM 362 C LYS A 24 -2.602 -21.651 -23.652 1.00 22.22 C ATOM 363 O LYS A 24 -2.002 -22.265 -24.535 1.00 21.24 O ATOM 364 CB LYS A 24 -4.860 -22.457 -24.368 1.00 44.53 C ATOM 365 CG LYS A 24 -6.301 -22.496 -23.890 1.00 62.53 C ATOM 366 CD LYS A 24 -7.209 -23.162 -24.911 1.00 63.55 C ATOM 367 CE LYS A 24 -8.502 -22.384 -25.099 1.00 34.31 C ATOM 368 NZ LYS A 24 -9.595 -23.244 -25.630 1.00 63.14 N1+ ATOM 0 H LYS A 24 -4.905 -20.235 -25.451 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.470 -20.980 -22.856 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -4.848 -22.427 -25.458 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -4.361 -23.379 -24.069 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -6.357 -23.036 -22.945 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -6.650 -21.481 -23.699 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -6.689 -23.241 -25.866 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -7.438 -24.178 -24.588 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -8.809 -21.954 -24.146 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -8.329 -21.553 -25.783 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -10.459 -22.676 -25.744 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -9.313 -23.634 -26.552 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -9.778 -24.023 -24.966 1.00 63.14 H new ATOM 382 N VAL A 25 -2.031 -21.290 -22.507 1.00 32.25 N ATOM 383 CA VAL A 25 -0.638 -21.602 -22.216 1.00 72.11 C ATOM 384 C VAL A 25 -0.529 -22.690 -21.154 1.00 51.12 C ATOM 385 O VAL A 25 -1.530 -23.103 -20.568 1.00 43.45 O ATOM 386 CB VAL A 25 0.129 -20.355 -21.737 1.00 34.14 C ATOM 387 CG1 VAL A 25 0.330 -19.378 -22.886 1.00 11.11 C ATOM 388 CG2 VAL A 25 -0.606 -19.689 -20.584 1.00 3.14 C ATOM 0 H VAL A 25 -2.513 -20.781 -21.766 1.00 32.25 H new ATOM 0 HA VAL A 25 -0.193 -21.958 -23.145 1.00 72.11 H new ATOM 0 HB VAL A 25 1.111 -20.668 -21.381 1.00 34.14 H new ATOM 0 HG11 VAL A 25 0.874 -18.503 -22.529 1.00 11.11 H new ATOM 0 HG12 VAL A 25 0.901 -19.861 -23.679 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -0.640 -19.069 -23.274 1.00 11.11 H new ATOM 0 HG21 VAL A 25 -0.050 -18.810 -20.258 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -1.601 -19.388 -20.912 1.00 3.14 H new ATOM 0 HG23 VAL A 25 -0.694 -20.391 -19.755 1.00 3.14 H new ATOM 398 N LEU A 26 0.693 -23.151 -20.911 1.00 52.13 N ATOM 399 CA LEU A 26 0.935 -24.192 -19.917 1.00 53.31 C ATOM 400 C LEU A 26 2.255 -23.957 -19.191 1.00 41.52 C ATOM 401 O LEU A 26 3.266 -23.627 -19.810 1.00 23.31 O ATOM 402 CB LEU A 26 0.945 -25.568 -20.585 1.00 34.22 C ATOM 403 CG LEU A 26 2.120 -25.851 -21.521 1.00 5.53 C ATOM 404 CD1 LEU A 26 2.980 -26.979 -20.973 1.00 50.53 C ATOM 405 CD2 LEU A 26 1.619 -26.190 -22.917 1.00 1.25 C ATOM 0 H LEU A 26 1.532 -22.821 -21.388 1.00 52.13 H new ATOM 0 HA LEU A 26 0.129 -24.155 -19.185 1.00 53.31 H new ATOM 0 HB2 LEU A 26 0.937 -26.329 -19.804 1.00 34.22 H new ATOM 0 HB3 LEU A 26 0.020 -25.682 -21.151 1.00 34.22 H new ATOM 0 HG LEU A 26 2.734 -24.952 -21.585 1.00 5.53 H new ATOM 0 HD11 LEU A 26 3.811 -27.166 -21.653 1.00 50.53 H new ATOM 0 HD12 LEU A 26 3.368 -26.698 -19.994 1.00 50.53 H new ATOM 0 HD13 LEU A 26 2.378 -27.883 -20.879 1.00 50.53 H new ATOM 0 HD21 LEU A 26 2.469 -26.389 -23.570 1.00 1.25 H new ATOM 0 HD22 LEU A 26 0.983 -27.074 -22.871 1.00 1.25 H new ATOM 0 HD23 LEU A 26 1.046 -25.351 -23.312 1.00 1.25 H new ATOM 417 N GLY A 27 2.238 -24.130 -17.873 1.00 11.13 N ATOM 418 CA GLY A 27 3.442 -23.935 -17.084 1.00 74.50 C ATOM 419 C GLY A 27 3.169 -23.208 -15.782 1.00 72.22 C ATOM 420 O GLY A 27 2.014 -23.025 -15.396 1.00 33.15 O ATOM 0 H GLY A 27 1.413 -24.401 -17.337 1.00 11.13 H new ATOM 0 HA2 GLY A 27 3.893 -24.904 -16.868 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.168 -23.369 -17.668 1.00 74.50 H new ATOM 424 N VAL A 28 4.233 -22.795 -15.103 1.00 0.31 N ATOM 425 CA VAL A 28 4.104 -22.084 -13.836 1.00 11.43 C ATOM 426 C VAL A 28 5.195 -21.032 -13.682 1.00 12.21 C ATOM 427 O VAL A 28 6.291 -21.172 -14.227 1.00 72.43 O ATOM 428 CB VAL A 28 4.168 -23.054 -12.640 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.439 -22.470 -11.440 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.589 -24.407 -13.021 1.00 65.50 C ATOM 0 H VAL A 28 5.195 -22.940 -15.409 1.00 0.31 H new ATOM 0 HA VAL A 28 3.131 -21.594 -13.846 1.00 11.43 H new ATOM 0 HB VAL A 28 5.213 -23.197 -12.365 1.00 51.42 H new ATOM 0 HG11 VAL A 28 3.495 -23.169 -10.605 1.00 54.12 H new ATOM 0 HG12 VAL A 28 3.905 -21.526 -11.155 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.394 -22.296 -11.698 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.642 -25.080 -12.165 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.549 -24.286 -13.323 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.160 -24.827 -13.849 1.00 65.50 H new ATOM 440 N PHE A 29 4.890 -19.975 -12.936 1.00 21.24 N ATOM 441 CA PHE A 29 5.845 -18.897 -12.710 1.00 24.31 C ATOM 442 C PHE A 29 6.175 -18.764 -11.226 1.00 74.32 C ATOM 443 O PHE A 29 5.326 -19.004 -10.368 1.00 14.41 O ATOM 444 CB PHE A 29 5.287 -17.574 -13.240 1.00 62.43 C ATOM 445 CG PHE A 29 5.065 -17.570 -14.725 1.00 74.23 C ATOM 446 CD1 PHE A 29 3.865 -17.126 -15.257 1.00 73.12 C ATOM 447 CD2 PHE A 29 6.055 -18.008 -15.589 1.00 0.33 C ATOM 448 CE1 PHE A 29 3.657 -17.120 -16.624 1.00 43.11 C ATOM 449 CE2 PHE A 29 5.853 -18.005 -16.956 1.00 64.12 C ATOM 450 CZ PHE A 29 4.651 -17.561 -17.474 1.00 52.54 C ATOM 0 H PHE A 29 3.988 -19.842 -12.478 1.00 21.24 H new ATOM 0 HA PHE A 29 6.762 -19.139 -13.248 1.00 24.31 H new ATOM 0 HB2 PHE A 29 4.343 -17.360 -12.739 1.00 62.43 H new ATOM 0 HB3 PHE A 29 5.975 -16.769 -12.981 1.00 62.43 H new ATOM 0 HD1 PHE A 29 3.083 -16.781 -14.596 1.00 73.12 H new ATOM 0 HD2 PHE A 29 6.996 -18.356 -15.190 1.00 0.33 H new ATOM 0 HE1 PHE A 29 2.718 -16.771 -17.026 1.00 43.11 H new ATOM 0 HE2 PHE A 29 6.633 -18.349 -17.619 1.00 64.12 H new ATOM 0 HZ PHE A 29 4.490 -17.559 -18.542 1.00 52.54 H new ATOM 460 N GLN A 30 7.414 -18.382 -10.933 1.00 73.10 N ATOM 461 CA GLN A 30 7.857 -18.219 -9.553 1.00 2.03 C ATOM 462 C GLN A 30 8.427 -16.823 -9.326 1.00 32.14 C ATOM 463 O GLN A 30 9.568 -16.540 -9.691 1.00 10.04 O ATOM 464 CB GLN A 30 8.908 -19.275 -9.206 1.00 11.10 C ATOM 465 CG GLN A 30 9.437 -19.161 -7.784 1.00 21.52 C ATOM 466 CD GLN A 30 8.388 -19.496 -6.742 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.714 -20.523 -6.832 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.246 -18.630 -5.745 1.00 1.20 N ATOM 0 H GLN A 30 8.129 -18.180 -11.632 1.00 73.10 H new ATOM 0 HA GLN A 30 6.993 -18.348 -8.902 1.00 2.03 H new ATOM 0 HB2 GLN A 30 8.476 -20.266 -9.346 1.00 11.10 H new ATOM 0 HB3 GLN A 30 9.741 -19.189 -9.903 1.00 11.10 H new ATOM 0 HG2 GLN A 30 10.290 -19.829 -7.663 1.00 21.52 H new ATOM 0 HG3 GLN A 30 9.800 -18.147 -7.616 1.00 21.52 H new ATOM 0 HE21 GLN A 30 8.826 -17.792 -5.711 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.557 -18.803 -5.013 1.00 1.20 H new ATOM 477 N LEU A 31 7.625 -15.953 -8.722 1.00 65.02 N ATOM 478 CA LEU A 31 8.049 -14.585 -8.446 1.00 54.50 C ATOM 479 C LEU A 31 8.838 -14.513 -7.143 1.00 53.24 C ATOM 480 O LEU A 31 8.365 -14.946 -6.093 1.00 13.04 O ATOM 481 CB LEU A 31 6.834 -13.659 -8.372 1.00 52.25 C ATOM 482 CG LEU A 31 7.030 -12.250 -8.932 1.00 62.25 C ATOM 483 CD1 LEU A 31 5.842 -11.367 -8.584 1.00 62.41 C ATOM 484 CD2 LEU A 31 8.321 -11.641 -8.405 1.00 64.43 C ATOM 0 H LEU A 31 6.677 -16.171 -8.414 1.00 65.02 H new ATOM 0 HA LEU A 31 8.697 -14.260 -9.260 1.00 54.50 H new ATOM 0 HB2 LEU A 31 6.010 -14.130 -8.908 1.00 52.25 H new ATOM 0 HB3 LEU A 31 6.529 -13.575 -7.329 1.00 52.25 H new ATOM 0 HG LEU A 31 7.100 -12.318 -10.018 1.00 62.25 H new ATOM 0 HD11 LEU A 31 6.000 -10.368 -8.991 1.00 62.41 H new ATOM 0 HD12 LEU A 31 4.934 -11.794 -9.011 1.00 62.41 H new ATOM 0 HD13 LEU A 31 5.739 -11.305 -7.501 1.00 62.41 H new ATOM 0 HD21 LEU A 31 8.444 -10.638 -8.814 1.00 64.43 H new ATOM 0 HD22 LEU A 31 8.280 -11.587 -7.317 1.00 64.43 H new ATOM 0 HD23 LEU A 31 9.165 -12.261 -8.706 1.00 64.43 H new ATOM 496 N ASN A 32 10.044 -13.960 -7.217 1.00 55.44 N ATOM 497 CA ASN A 32 10.899 -13.829 -6.043 1.00 63.23 C ATOM 498 C ASN A 32 11.343 -12.382 -5.852 1.00 53.21 C ATOM 499 O ASN A 32 12.152 -11.863 -6.623 1.00 30.12 O ATOM 500 CB ASN A 32 12.124 -14.737 -6.173 1.00 15.22 C ATOM 501 CG ASN A 32 11.759 -16.136 -6.629 1.00 74.20 C ATOM 502 OD1 ASN A 32 11.610 -17.047 -5.814 1.00 54.54 O ATOM 503 ND2 ASN A 32 11.616 -16.314 -7.937 1.00 41.33 N ATOM 0 H ASN A 32 10.451 -13.595 -8.078 1.00 55.44 H new ATOM 0 HA ASN A 32 10.322 -14.132 -5.169 1.00 63.23 H new ATOM 0 HB2 ASN A 32 12.825 -14.298 -6.883 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.636 -14.793 -5.212 1.00 15.22 H new ATOM 0 HD21 ASN A 32 11.373 -17.235 -8.303 1.00 41.33 H new ATOM 0 HD22 ASN A 32 11.749 -15.530 -8.576 1.00 41.33 H new ATOM 510 N ILE A 33 10.810 -11.735 -4.821 1.00 31.21 N ATOM 511 CA ILE A 33 11.153 -10.349 -4.528 1.00 31.14 C ATOM 512 C ILE A 33 12.036 -10.251 -3.290 1.00 52.44 C ATOM 513 O ILE A 33 11.776 -10.899 -2.275 1.00 11.10 O ATOM 514 CB ILE A 33 9.891 -9.491 -4.315 1.00 13.11 C ATOM 515 CG1 ILE A 33 8.933 -9.651 -5.497 1.00 12.13 C ATOM 516 CG2 ILE A 33 10.272 -8.029 -4.129 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.892 -10.728 -5.289 1.00 72.22 C ATOM 0 H ILE A 33 10.139 -12.149 -4.174 1.00 31.21 H new ATOM 0 HA ILE A 33 11.700 -9.969 -5.391 1.00 31.14 H new ATOM 0 HB ILE A 33 9.384 -9.833 -3.413 1.00 13.11 H new ATOM 0 HG12 ILE A 33 8.430 -8.701 -5.678 1.00 12.13 H new ATOM 0 HG13 ILE A 33 9.509 -9.882 -6.393 1.00 12.13 H new ATOM 0 HG21 ILE A 33 9.371 -7.434 -3.980 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.921 -7.930 -3.259 1.00 60.34 H new ATOM 0 HG23 ILE A 33 10.798 -7.674 -5.016 1.00 60.34 H new ATOM 0 HD11 ILE A 33 7.248 -10.786 -6.166 1.00 72.22 H new ATOM 0 HD12 ILE A 33 8.386 -11.688 -5.138 1.00 72.22 H new ATOM 0 HD13 ILE A 33 7.290 -10.488 -4.412 1.00 72.22 H new ATOM 529 N LYS A 34 13.082 -9.436 -3.379 1.00 22.24 N ATOM 530 CA LYS A 34 14.004 -9.249 -2.265 1.00 23.21 C ATOM 531 C LYS A 34 13.346 -8.453 -1.142 1.00 44.34 C ATOM 532 O LYS A 34 12.433 -7.662 -1.380 1.00 15.11 O ATOM 533 CB LYS A 34 15.270 -8.533 -2.739 1.00 53.34 C ATOM 534 CG LYS A 34 15.192 -7.020 -2.624 1.00 41.43 C ATOM 535 CD LYS A 34 16.020 -6.336 -3.701 1.00 33.21 C ATOM 536 CE LYS A 34 17.219 -5.616 -3.107 1.00 40.23 C ATOM 537 NZ LYS A 34 18.073 -4.999 -4.159 1.00 30.42 N1+ ATOM 0 H LYS A 34 13.312 -8.894 -4.212 1.00 22.24 H new ATOM 0 HA LYS A 34 14.273 -10.232 -1.879 1.00 23.21 H new ATOM 0 HB2 LYS A 34 16.119 -8.890 -2.156 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.461 -8.801 -3.778 1.00 53.34 H new ATOM 0 HG2 LYS A 34 14.153 -6.701 -2.705 1.00 41.43 H new ATOM 0 HG3 LYS A 34 15.545 -6.710 -1.640 1.00 41.43 H new ATOM 0 HD2 LYS A 34 16.361 -7.076 -4.425 1.00 33.21 H new ATOM 0 HD3 LYS A 34 15.398 -5.623 -4.242 1.00 33.21 H new ATOM 0 HE2 LYS A 34 16.875 -4.843 -2.420 1.00 40.23 H new ATOM 0 HE3 LYS A 34 17.813 -6.320 -2.524 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 18.880 -4.518 -3.713 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 18.423 -5.739 -4.800 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 17.514 -4.309 -4.699 1.00 30.42 H new ATOM 551 N THR A 35 13.817 -8.666 0.083 1.00 41.14 N ATOM 552 CA THR A 35 13.275 -7.968 1.242 1.00 62.04 C ATOM 553 C THR A 35 14.372 -7.638 2.248 1.00 21.21 C ATOM 554 O THR A 35 15.531 -8.013 2.062 1.00 42.41 O ATOM 555 CB THR A 35 12.188 -8.804 1.943 1.00 73.14 C ATOM 556 OG1 THR A 35 12.794 -9.772 2.806 1.00 74.33 O ATOM 557 CG2 THR A 35 11.305 -9.508 0.924 1.00 21.11 C ATOM 0 H THR A 35 14.573 -9.316 0.298 1.00 41.14 H new ATOM 0 HA THR A 35 12.832 -7.042 0.874 1.00 62.04 H new ATOM 0 HB THR A 35 11.568 -8.130 2.533 1.00 73.14 H new ATOM 0 HG1 THR A 35 12.096 -10.298 3.249 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.545 -10.092 1.443 1.00 21.11 H new ATOM 0 HG22 THR A 35 10.821 -8.767 0.288 1.00 21.11 H new ATOM 0 HG23 THR A 35 11.915 -10.170 0.310 1.00 21.11 H new ATOM 565 N ALA A 36 14.001 -6.935 3.312 1.00 32.44 N ATOM 566 CA ALA A 36 14.955 -6.557 4.348 1.00 70.24 C ATOM 567 C ALA A 36 15.250 -7.730 5.277 1.00 54.21 C ATOM 568 O ALA A 36 16.230 -7.713 6.021 1.00 10.51 O ATOM 569 CB ALA A 36 14.427 -5.371 5.143 1.00 11.33 C ATOM 0 H ALA A 36 13.047 -6.615 3.480 1.00 32.44 H new ATOM 0 HA ALA A 36 15.887 -6.269 3.862 1.00 70.24 H new ATOM 0 HB1 ALA A 36 15.149 -5.099 5.913 1.00 11.33 H new ATOM 0 HB2 ALA A 36 14.273 -4.524 4.474 1.00 11.33 H new ATOM 0 HB3 ALA A 36 13.480 -5.640 5.612 1.00 11.33 H new ATOM 575 N SER A 37 14.395 -8.747 5.229 1.00 12.43 N ATOM 576 CA SER A 37 14.562 -9.927 6.069 1.00 24.12 C ATOM 577 C SER A 37 14.813 -11.169 5.219 1.00 71.45 C ATOM 578 O SER A 37 14.723 -12.295 5.705 1.00 35.33 O ATOM 579 CB SER A 37 13.324 -10.135 6.945 1.00 74.34 C ATOM 580 OG SER A 37 13.625 -9.918 8.312 1.00 31.32 O ATOM 0 H SER A 37 13.580 -8.777 4.617 1.00 12.43 H new ATOM 0 HA SER A 37 15.429 -9.766 6.710 1.00 24.12 H new ATOM 0 HB2 SER A 37 12.534 -9.453 6.631 1.00 74.34 H new ATOM 0 HB3 SER A 37 12.944 -11.148 6.809 1.00 74.34 H new ATOM 0 HG SER A 37 12.818 -10.055 8.850 1.00 31.32 H new ATOM 586 N GLY A 38 15.128 -10.952 3.946 1.00 20.32 N ATOM 587 CA GLY A 38 15.386 -12.062 3.047 1.00 11.02 C ATOM 588 C GLY A 38 14.719 -11.884 1.698 1.00 44.13 C ATOM 589 O GLY A 38 14.901 -10.861 1.038 1.00 2.10 O ATOM 0 H GLY A 38 15.209 -10.028 3.521 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.462 -12.168 2.906 1.00 11.02 H new ATOM 0 HA3 GLY A 38 15.032 -12.986 3.505 1.00 11.02 H new ATOM 593 N VAL A 39 13.944 -12.883 1.286 1.00 25.01 N ATOM 594 CA VAL A 39 13.247 -12.831 0.007 1.00 53.13 C ATOM 595 C VAL A 39 11.880 -13.502 0.099 1.00 4.40 C ATOM 596 O VAL A 39 11.735 -14.553 0.720 1.00 12.03 O ATOM 597 CB VAL A 39 14.066 -13.512 -1.107 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.981 -15.026 -0.982 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.588 -13.053 -2.476 1.00 44.20 C ATOM 0 H VAL A 39 13.784 -13.737 1.820 1.00 25.01 H new ATOM 0 HA VAL A 39 13.117 -11.777 -0.240 1.00 53.13 H new ATOM 0 HB VAL A 39 15.111 -13.221 -0.997 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.565 -15.490 -1.777 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.376 -15.334 -0.014 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.941 -15.340 -1.066 1.00 45.01 H new ATOM 0 HG21 VAL A 39 14.177 -13.544 -3.251 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.537 -13.313 -2.600 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.707 -11.973 -2.560 1.00 44.20 H new ATOM 609 N GLU A 40 10.882 -12.885 -0.526 1.00 32.42 N ATOM 610 CA GLU A 40 9.527 -13.421 -0.513 1.00 60.10 C ATOM 611 C GLU A 40 9.236 -14.193 -1.798 1.00 42.53 C ATOM 612 O GLU A 40 9.380 -13.662 -2.898 1.00 20.13 O ATOM 613 CB GLU A 40 8.508 -12.292 -0.343 1.00 24.13 C ATOM 614 CG GLU A 40 8.652 -11.182 -1.370 1.00 11.04 C ATOM 615 CD GLU A 40 8.717 -9.806 -0.737 1.00 24.31 C ATOM 616 OE1 GLU A 40 8.144 -9.630 0.360 1.00 60.43 O ATOM 617 OE2 GLU A 40 9.339 -8.904 -1.337 1.00 55.13 O1- ATOM 0 H GLU A 40 10.987 -12.014 -1.047 1.00 32.42 H new ATOM 0 HA GLU A 40 9.443 -14.106 0.331 1.00 60.10 H new ATOM 0 HB2 GLU A 40 7.503 -12.708 -0.409 1.00 24.13 H new ATOM 0 HB3 GLU A 40 8.612 -11.867 0.655 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.555 -11.351 -1.957 1.00 11.04 H new ATOM 0 HG3 GLU A 40 7.810 -11.220 -2.061 1.00 11.04 H new ATOM 624 N GLN A 41 8.825 -15.448 -1.647 1.00 42.11 N ATOM 625 CA GLN A 41 8.515 -16.293 -2.794 1.00 75.52 C ATOM 626 C GLN A 41 7.035 -16.208 -3.148 1.00 53.35 C ATOM 627 O GLN A 41 6.201 -15.879 -2.303 1.00 61.42 O ATOM 628 CB GLN A 41 8.899 -17.745 -2.503 1.00 53.24 C ATOM 629 CG GLN A 41 10.379 -17.935 -2.212 1.00 24.20 C ATOM 630 CD GLN A 41 11.156 -18.407 -3.426 1.00 1.24 C ATOM 631 OE1 GLN A 41 10.583 -18.944 -4.374 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.469 -18.208 -3.402 1.00 4.21 N ATOM 0 H GLN A 41 8.699 -15.902 -0.742 1.00 42.11 H new ATOM 0 HA GLN A 41 9.095 -15.935 -3.645 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.321 -18.101 -1.651 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.623 -18.364 -3.357 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.800 -16.993 -1.859 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.497 -18.659 -1.406 1.00 24.20 H new ATOM 0 HE21 GLN A 41 12.902 -17.759 -2.595 1.00 4.21 H new ATOM 0 HE22 GLN A 41 13.044 -18.504 -4.190 1.00 4.21 H new ATOM 641 N TRP A 42 6.713 -16.506 -4.402 1.00 43.02 N ATOM 642 CA TRP A 42 5.332 -16.463 -4.868 1.00 5.44 C ATOM 643 C TRP A 42 5.119 -17.425 -6.031 1.00 60.44 C ATOM 644 O TRP A 42 5.994 -17.589 -6.881 1.00 11.52 O ATOM 645 CB TRP A 42 4.960 -15.041 -5.292 1.00 34.30 C ATOM 646 CG TRP A 42 4.892 -14.077 -4.147 1.00 73.05 C ATOM 647 CD1 TRP A 42 5.900 -13.280 -3.685 1.00 55.51 C ATOM 648 CD2 TRP A 42 3.755 -13.811 -3.317 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.459 -12.535 -2.618 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.147 -12.841 -2.373 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.445 -14.295 -3.282 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.274 -12.351 -1.406 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.580 -13.808 -2.321 1.00 35.41 C ATOM 654 CH2 TRP A 42 1.997 -12.842 -1.394 1.00 22.13 C ATOM 0 H TRP A 42 7.390 -16.780 -5.114 1.00 43.02 H new ATOM 0 HA TRP A 42 4.687 -16.770 -4.045 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.692 -14.683 -6.016 1.00 34.30 H new ATOM 0 HB3 TRP A 42 3.995 -15.061 -5.798 1.00 34.30 H new ATOM 0 HD1 TRP A 42 6.897 -13.241 -4.098 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.019 -11.863 -2.093 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.114 -15.037 -3.994 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 3.594 -11.609 -0.690 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.566 -14.177 -2.283 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.297 -12.479 -0.656 1.00 22.13 H new ATOM 665 N ILE A 43 3.952 -18.060 -6.061 1.00 22.22 N ATOM 666 CA ILE A 43 3.626 -19.007 -7.121 1.00 14.53 C ATOM 667 C ILE A 43 2.507 -18.473 -8.008 1.00 73.12 C ATOM 668 O ILE A 43 1.386 -18.254 -7.549 1.00 34.33 O ATOM 669 CB ILE A 43 3.204 -20.372 -6.547 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.323 -20.953 -5.681 1.00 31.22 C ATOM 671 CG2 ILE A 43 2.843 -21.331 -7.671 1.00 31.11 C ATOM 672 CD1 ILE A 43 4.027 -20.909 -4.199 1.00 2.14 C ATOM 0 H ILE A 43 3.217 -17.936 -5.364 1.00 22.22 H new ATOM 0 HA ILE A 43 4.529 -19.137 -7.717 1.00 14.53 H new ATOM 0 HB ILE A 43 2.323 -20.230 -5.921 1.00 20.41 H new ATOM 0 HG12 ILE A 43 4.500 -21.987 -5.977 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.244 -20.403 -5.875 1.00 31.22 H new ATOM 0 HG21 ILE A 43 2.547 -22.291 -7.249 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.016 -20.919 -8.250 1.00 31.11 H new ATOM 0 HG23 ILE A 43 3.707 -21.471 -8.321 1.00 31.11 H new ATOM 0 HD11 ILE A 43 4.864 -21.337 -3.648 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.879 -19.875 -3.888 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.124 -21.483 -3.991 1.00 2.14 H new ATOM 684 N VAL A 44 2.817 -18.267 -9.285 1.00 32.54 N ATOM 685 CA VAL A 44 1.837 -17.762 -10.238 1.00 1.41 C ATOM 686 C VAL A 44 1.697 -18.700 -11.431 1.00 62.00 C ATOM 687 O VAL A 44 2.546 -18.718 -12.323 1.00 64.24 O ATOM 688 CB VAL A 44 2.219 -16.358 -10.745 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.477 -15.287 -9.960 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.723 -16.151 -10.655 1.00 14.24 C ATOM 0 H VAL A 44 3.740 -18.442 -9.683 1.00 32.54 H new ATOM 0 HA VAL A 44 0.884 -17.704 -9.712 1.00 1.41 H new ATOM 0 HB VAL A 44 1.926 -16.276 -11.792 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.759 -14.302 -10.332 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.403 -15.426 -10.081 1.00 0.24 H new ATOM 0 HG13 VAL A 44 1.737 -15.364 -8.904 1.00 0.24 H new ATOM 0 HG21 VAL A 44 3.975 -15.154 -11.017 1.00 14.24 H new ATOM 0 HG22 VAL A 44 4.043 -16.252 -9.618 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.230 -16.898 -11.266 1.00 14.24 H new ATOM 700 N ASP A 45 0.620 -19.477 -11.442 1.00 45.32 N ATOM 701 CA ASP A 45 0.367 -20.419 -12.527 1.00 21.31 C ATOM 702 C ASP A 45 -0.346 -19.731 -13.687 1.00 43.53 C ATOM 703 O ASP A 45 -1.035 -18.728 -13.500 1.00 12.42 O ATOM 704 CB ASP A 45 -0.470 -21.596 -12.024 1.00 64.12 C ATOM 705 CG ASP A 45 -1.519 -22.032 -13.029 1.00 63.33 C ATOM 706 OD1 ASP A 45 -2.576 -21.369 -13.106 1.00 21.05 O ATOM 707 OD2 ASP A 45 -1.283 -23.032 -13.737 1.00 51.12 O1- ATOM 0 H ASP A 45 -0.092 -19.474 -10.712 1.00 45.32 H new ATOM 0 HA ASP A 45 1.327 -20.792 -12.883 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.187 -22.437 -11.801 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -0.959 -21.318 -11.090 1.00 64.12 H new ATOM 712 N LEU A 46 -0.174 -20.276 -14.886 1.00 52.01 N ATOM 713 CA LEU A 46 -0.800 -19.716 -16.079 1.00 33.22 C ATOM 714 C LEU A 46 -1.824 -20.683 -16.664 1.00 13.22 C ATOM 715 O LEU A 46 -2.621 -20.315 -17.526 1.00 72.41 O ATOM 716 CB LEU A 46 0.263 -19.384 -17.129 1.00 61.21 C ATOM 717 CG LEU A 46 1.410 -20.386 -17.262 1.00 13.54 C ATOM 718 CD1 LEU A 46 1.942 -20.401 -18.685 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.523 -20.054 -16.278 1.00 32.43 C ATOM 0 H LEU A 46 0.394 -21.106 -15.058 1.00 52.01 H new ATOM 0 HA LEU A 46 -1.317 -18.801 -15.791 1.00 33.22 H new ATOM 0 HB2 LEU A 46 -0.228 -19.293 -18.098 1.00 61.21 H new ATOM 0 HB3 LEU A 46 0.686 -18.407 -16.893 1.00 61.21 H new ATOM 0 HG LEU A 46 1.029 -21.380 -17.028 1.00 13.54 H new ATOM 0 HD11 LEU A 46 2.758 -21.120 -18.761 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.143 -20.686 -19.369 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.308 -19.408 -18.947 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.332 -20.777 -16.386 1.00 32.43 H new ATOM 0 HD22 LEU A 46 2.902 -19.053 -16.482 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.133 -20.094 -15.261 1.00 32.43 H new ATOM 731 N LYS A 47 -1.799 -21.922 -16.186 1.00 32.14 N ATOM 732 CA LYS A 47 -2.726 -22.944 -16.656 1.00 73.41 C ATOM 733 C LYS A 47 -4.152 -22.633 -16.209 1.00 25.15 C ATOM 734 O LYS A 47 -5.080 -22.638 -17.016 1.00 30.54 O ATOM 735 CB LYS A 47 -2.307 -24.322 -16.139 1.00 12.14 C ATOM 736 CG LYS A 47 -0.830 -24.619 -16.330 1.00 71.22 C ATOM 737 CD LYS A 47 -0.613 -25.983 -16.965 1.00 44.04 C ATOM 738 CE LYS A 47 -0.306 -27.042 -15.919 1.00 52.41 C ATOM 739 NZ LYS A 47 -1.454 -27.969 -15.714 1.00 64.34 N1+ ATOM 0 H LYS A 47 -1.145 -22.243 -15.472 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.698 -22.949 -17.746 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -2.549 -24.392 -15.079 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.892 -25.086 -16.651 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.381 -23.849 -16.958 1.00 71.22 H new ATOM 0 HG3 LYS A 47 -0.323 -24.580 -15.366 1.00 71.22 H new ATOM 0 HD2 LYS A 47 -1.503 -26.270 -17.525 1.00 44.04 H new ATOM 0 HD3 LYS A 47 0.209 -25.926 -17.679 1.00 44.04 H new ATOM 0 HE2 LYS A 47 0.571 -27.612 -16.226 1.00 52.41 H new ATOM 0 HE3 LYS A 47 -0.057 -26.558 -14.975 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 -1.205 -28.676 -14.993 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 -2.284 -27.429 -15.396 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 -1.676 -28.450 -16.609 1.00 64.34 H new ATOM 753 N GLN A 48 -4.316 -22.362 -14.918 1.00 45.21 N ATOM 754 CA GLN A 48 -5.628 -22.049 -14.364 1.00 10.22 C ATOM 755 C GLN A 48 -5.706 -20.584 -13.945 1.00 4.23 C ATOM 756 O GLN A 48 -6.743 -20.117 -13.474 1.00 2.01 O ATOM 757 CB GLN A 48 -5.927 -22.951 -13.166 1.00 63.24 C ATOM 758 CG GLN A 48 -5.924 -24.433 -13.503 1.00 72.31 C ATOM 759 CD GLN A 48 -6.356 -25.298 -12.336 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.295 -26.087 -12.447 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.671 -25.157 -11.208 1.00 43.10 N ATOM 0 H GLN A 48 -3.557 -22.353 -14.237 1.00 45.21 H new ATOM 0 HA GLN A 48 -6.374 -22.227 -15.139 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -5.188 -22.763 -12.387 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.900 -22.683 -12.754 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.589 -24.611 -14.348 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -4.923 -24.728 -13.818 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -4.900 -24.491 -11.160 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -5.916 -25.714 -10.390 1.00 43.10 H new ATOM 770 N LEU A 49 -4.603 -19.865 -14.120 1.00 40.44 N ATOM 771 CA LEU A 49 -4.546 -18.453 -13.760 1.00 12.54 C ATOM 772 C LEU A 49 -4.843 -18.256 -12.277 1.00 71.02 C ATOM 773 O LEU A 49 -5.956 -17.892 -11.897 1.00 2.15 O ATOM 774 CB LEU A 49 -5.540 -17.651 -14.601 1.00 75.10 C ATOM 775 CG LEU A 49 -5.145 -17.409 -16.058 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.756 -16.796 -16.140 1.00 31.41 C ATOM 777 CD2 LEU A 49 -5.205 -18.707 -16.850 1.00 22.10 C ATOM 0 H LEU A 49 -3.736 -20.236 -14.509 1.00 40.44 H new ATOM 0 HA LEU A 49 -3.537 -18.094 -13.960 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -6.499 -18.170 -14.587 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -5.694 -16.684 -14.122 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.856 -16.707 -16.495 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -3.492 -16.631 -17.185 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -3.746 -15.844 -15.609 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -3.032 -17.473 -15.686 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -4.921 -18.515 -17.885 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -4.518 -19.432 -16.413 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -6.219 -19.105 -16.820 1.00 22.10 H new ATOM 789 N LYS A 50 -3.838 -18.496 -11.441 1.00 54.03 N ATOM 790 CA LYS A 50 -3.989 -18.343 -9.999 1.00 73.12 C ATOM 791 C LYS A 50 -2.711 -17.792 -9.374 1.00 13.13 C ATOM 792 O LYS A 50 -1.722 -17.554 -10.067 1.00 33.05 O ATOM 793 CB LYS A 50 -4.345 -19.686 -9.356 1.00 23.41 C ATOM 794 CG LYS A 50 -3.254 -20.733 -9.492 1.00 12.24 C ATOM 795 CD LYS A 50 -2.450 -20.870 -8.210 1.00 71.24 C ATOM 796 CE LYS A 50 -2.729 -22.195 -7.515 1.00 14.43 C ATOM 797 NZ LYS A 50 -2.411 -23.356 -8.389 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.910 -18.797 -11.738 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.797 -17.635 -9.817 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.556 -19.528 -8.298 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.260 -20.066 -9.810 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.701 -21.694 -9.747 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.589 -20.463 -10.312 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -1.387 -20.794 -8.436 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -2.693 -20.047 -7.538 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -2.139 -22.257 -6.600 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.778 -22.238 -7.222 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -2.070 -24.147 -7.806 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -3.267 -23.648 -8.903 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -1.673 -23.086 -9.070 1.00 41.23 H new ATOM 811 N VAL A 51 -2.739 -17.593 -8.060 1.00 11.01 N ATOM 812 CA VAL A 51 -1.581 -17.072 -7.342 1.00 51.13 C ATOM 813 C VAL A 51 -1.511 -17.640 -5.928 1.00 24.24 C ATOM 814 O VAL A 51 -2.538 -17.888 -5.296 1.00 11.33 O ATOM 815 CB VAL A 51 -1.613 -15.535 -7.264 1.00 74.54 C ATOM 816 CG1 VAL A 51 -0.390 -15.011 -6.526 1.00 60.22 C ATOM 817 CG2 VAL A 51 -1.704 -14.933 -8.658 1.00 51.31 C ATOM 0 H VAL A 51 -3.550 -17.784 -7.471 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.697 -17.381 -7.900 1.00 51.13 H new ATOM 0 HB VAL A 51 -2.500 -15.235 -6.705 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -0.431 -13.923 -6.481 1.00 60.22 H new ATOM 0 HG12 VAL A 51 -0.375 -15.416 -5.514 1.00 60.22 H new ATOM 0 HG13 VAL A 51 0.513 -15.319 -7.053 1.00 60.22 H new ATOM 0 HG21 VAL A 51 -1.726 -13.846 -8.584 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -0.838 -15.240 -9.244 1.00 51.31 H new ATOM 0 HG23 VAL A 51 -2.614 -15.282 -9.146 1.00 51.31 H new ATOM 827 N ASP A 52 -0.293 -17.845 -5.439 1.00 34.02 N ATOM 828 CA ASP A 52 -0.088 -18.383 -4.099 1.00 10.05 C ATOM 829 C ASP A 52 1.223 -17.877 -3.506 1.00 41.12 C ATOM 830 O ASP A 52 2.061 -17.318 -4.213 1.00 32.23 O ATOM 831 CB ASP A 52 -0.090 -19.911 -4.134 1.00 62.44 C ATOM 832 CG ASP A 52 -0.903 -20.463 -5.289 1.00 53.22 C ATOM 833 OD1 ASP A 52 -0.294 -20.907 -6.286 1.00 40.15 O ATOM 834 OD2 ASP A 52 -2.148 -20.452 -5.197 1.00 41.01 O1- ATOM 0 H ASP A 52 0.567 -17.647 -5.950 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.908 -18.041 -3.467 1.00 10.05 H new ATOM 0 HB2 ASP A 52 0.936 -20.271 -4.211 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.492 -20.292 -3.195 1.00 62.44 H new ATOM 839 N GLN A 53 1.394 -18.080 -2.204 1.00 45.12 N ATOM 840 CA GLN A 53 2.604 -17.642 -1.515 1.00 63.05 C ATOM 841 C GLN A 53 3.625 -18.772 -1.438 1.00 31.52 C ATOM 842 O GLN A 53 3.284 -19.943 -1.603 1.00 43.42 O ATOM 843 CB GLN A 53 2.265 -17.148 -0.107 1.00 21.35 C ATOM 844 CG GLN A 53 2.438 -18.208 0.967 1.00 51.34 C ATOM 845 CD GLN A 53 3.854 -18.267 1.506 1.00 13.11 C ATOM 846 OE1 GLN A 53 4.466 -19.333 1.557 1.00 31.44 O ATOM 847 NE2 GLN A 53 4.382 -17.118 1.911 1.00 1.42 N ATOM 0 H GLN A 53 0.712 -18.544 -1.605 1.00 45.12 H new ATOM 0 HA GLN A 53 3.039 -16.821 -2.085 1.00 63.05 H new ATOM 0 HB2 GLN A 53 2.899 -16.294 0.132 1.00 21.35 H new ATOM 0 HB3 GLN A 53 1.234 -16.794 -0.094 1.00 21.35 H new ATOM 0 HG2 GLN A 53 1.749 -18.005 1.787 1.00 51.34 H new ATOM 0 HG3 GLN A 53 2.168 -19.182 0.558 1.00 51.34 H new ATOM 0 HE21 GLN A 53 3.838 -16.257 1.850 1.00 1.42 H new ATOM 0 HE22 GLN A 53 5.332 -17.096 2.283 1.00 1.42 H new ATOM 856 N GLY A 54 4.880 -18.414 -1.186 1.00 60.23 N ATOM 857 CA GLY A 54 5.932 -19.409 -1.091 1.00 32.11 C ATOM 858 C GLY A 54 6.492 -19.790 -2.447 1.00 61.12 C ATOM 859 O GLY A 54 6.383 -19.028 -3.409 1.00 34.53 O ATOM 0 H GLY A 54 5.187 -17.452 -1.046 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.736 -19.024 -0.464 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.542 -20.300 -0.599 1.00 32.11 H new ATOM 863 N VAL A 55 7.097 -20.971 -2.525 1.00 63.32 N ATOM 864 CA VAL A 55 7.678 -21.452 -3.772 1.00 0.23 C ATOM 865 C VAL A 55 7.015 -22.749 -4.224 1.00 31.05 C ATOM 866 O VAL A 55 6.783 -23.652 -3.422 1.00 13.53 O ATOM 867 CB VAL A 55 9.195 -21.686 -3.633 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.479 -22.703 -2.538 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.788 -22.136 -4.959 1.00 61.54 C ATOM 0 H VAL A 55 7.197 -21.612 -1.738 1.00 63.32 H new ATOM 0 HA VAL A 55 7.504 -20.678 -4.520 1.00 0.23 H new ATOM 0 HB VAL A 55 9.667 -20.745 -3.352 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.555 -22.856 -2.454 1.00 35.12 H new ATOM 0 HG12 VAL A 55 9.089 -22.334 -1.589 1.00 35.12 H new ATOM 0 HG13 VAL A 55 8.996 -23.648 -2.786 1.00 35.12 H new ATOM 0 HG21 VAL A 55 10.860 -22.297 -4.842 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.314 -23.066 -5.273 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.616 -21.368 -5.714 1.00 61.54 H new ATOM 879 N PHE A 56 6.712 -22.833 -5.516 1.00 21.01 N ATOM 880 CA PHE A 56 6.075 -24.020 -6.076 1.00 21.13 C ATOM 881 C PHE A 56 7.000 -25.229 -5.982 1.00 72.32 C ATOM 882 O PHE A 56 8.208 -25.087 -5.796 1.00 54.15 O ATOM 883 CB PHE A 56 5.683 -23.773 -7.534 1.00 15.22 C ATOM 884 CG PHE A 56 4.757 -24.817 -8.089 1.00 13.30 C ATOM 885 CD1 PHE A 56 3.578 -25.136 -7.436 1.00 53.50 C ATOM 886 CD2 PHE A 56 5.066 -25.481 -9.266 1.00 11.02 C ATOM 887 CE1 PHE A 56 2.723 -26.095 -7.945 1.00 22.55 C ATOM 888 CE2 PHE A 56 4.215 -26.441 -9.780 1.00 40.34 C ATOM 889 CZ PHE A 56 3.043 -26.749 -9.118 1.00 32.22 C ATOM 0 H PHE A 56 6.897 -22.094 -6.194 1.00 21.01 H new ATOM 0 HA PHE A 56 5.176 -24.228 -5.496 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.206 -22.796 -7.614 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.586 -23.738 -8.144 1.00 15.22 H new ATOM 0 HD1 PHE A 56 3.324 -24.629 -6.517 1.00 53.50 H new ATOM 0 HD2 PHE A 56 5.982 -25.245 -9.787 1.00 11.02 H new ATOM 0 HE1 PHE A 56 1.806 -26.332 -7.426 1.00 22.55 H new ATOM 0 HE2 PHE A 56 4.466 -26.950 -10.699 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.378 -27.500 -9.517 1.00 32.22 H new ATOM 899 N ALA A 57 6.423 -26.419 -6.112 1.00 32.10 N ATOM 900 CA ALA A 57 7.195 -27.654 -6.045 1.00 4.40 C ATOM 901 C ALA A 57 8.301 -27.668 -7.094 1.00 45.14 C ATOM 902 O ALA A 57 9.359 -28.263 -6.888 1.00 5.11 O ATOM 903 CB ALA A 57 6.282 -28.857 -6.221 1.00 15.14 C ATOM 0 H ALA A 57 5.424 -26.554 -6.264 1.00 32.10 H new ATOM 0 HA ALA A 57 7.663 -27.708 -5.062 1.00 4.40 H new ATOM 0 HB1 ALA A 57 6.872 -29.772 -6.169 1.00 15.14 H new ATOM 0 HB2 ALA A 57 5.532 -28.863 -5.430 1.00 15.14 H new ATOM 0 HB3 ALA A 57 5.787 -28.799 -7.190 1.00 15.14 H new ATOM 909 N SER A 58 8.049 -27.010 -8.222 1.00 54.32 N ATOM 910 CA SER A 58 9.022 -26.951 -9.307 1.00 12.25 C ATOM 911 C SER A 58 8.497 -26.106 -10.462 1.00 23.03 C ATOM 912 O SER A 58 7.959 -26.618 -11.445 1.00 74.33 O ATOM 913 CB SER A 58 9.353 -28.361 -9.800 1.00 24.15 C ATOM 914 OG SER A 58 10.614 -28.789 -9.314 1.00 63.33 O ATOM 0 H SER A 58 7.179 -26.510 -8.408 1.00 54.32 H new ATOM 0 HA SER A 58 9.930 -26.485 -8.923 1.00 12.25 H new ATOM 0 HB2 SER A 58 8.579 -29.055 -9.472 1.00 24.15 H new ATOM 0 HB3 SER A 58 9.355 -28.377 -10.890 1.00 24.15 H new ATOM 0 HG SER A 58 10.616 -28.754 -8.335 1.00 63.33 H new ATOM 920 N PRO A 59 8.654 -24.779 -10.343 1.00 64.12 N ATOM 921 CA PRO A 59 8.203 -23.833 -11.368 1.00 73.32 C ATOM 922 C PRO A 59 9.038 -23.917 -12.641 1.00 23.22 C ATOM 923 O PRO A 59 10.241 -24.169 -12.590 1.00 4.44 O ATOM 924 CB PRO A 59 8.385 -22.470 -10.697 1.00 61.42 C ATOM 925 CG PRO A 59 9.454 -22.686 -9.683 1.00 4.13 C ATOM 926 CD PRO A 59 9.285 -24.100 -9.199 1.00 10.03 C ATOM 0 HA PRO A 59 7.180 -24.033 -11.686 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.674 -21.708 -11.421 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.460 -22.132 -10.231 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.442 -22.538 -10.120 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.360 -21.978 -8.860 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.242 -24.553 -8.941 1.00 10.03 H new ATOM 0 HD3 PRO A 59 8.659 -24.148 -8.308 1.00 10.03 H new ATOM 934 N ASP A 60 8.391 -23.703 -13.782 1.00 20.31 N ATOM 935 CA ASP A 60 9.074 -23.752 -15.070 1.00 71.05 C ATOM 936 C ASP A 60 9.952 -22.520 -15.266 1.00 72.31 C ATOM 937 O ASP A 60 10.816 -22.494 -16.143 1.00 5.43 O ATOM 938 CB ASP A 60 8.058 -23.857 -16.207 1.00 60.31 C ATOM 939 CG ASP A 60 8.539 -24.748 -17.335 1.00 74.41 C ATOM 940 OD1 ASP A 60 7.688 -25.273 -18.083 1.00 62.40 O ATOM 941 OD2 ASP A 60 9.769 -24.920 -17.470 1.00 72.43 O1- ATOM 0 H ASP A 60 7.394 -23.494 -13.841 1.00 20.31 H new ATOM 0 HA ASP A 60 9.712 -24.636 -15.082 1.00 71.05 H new ATOM 0 HB2 ASP A 60 7.119 -24.247 -15.816 1.00 60.31 H new ATOM 0 HB3 ASP A 60 7.851 -22.861 -16.598 1.00 60.31 H new ATOM 946 N VAL A 61 9.724 -21.501 -14.445 1.00 23.13 N ATOM 947 CA VAL A 61 10.494 -20.265 -14.528 1.00 4.42 C ATOM 948 C VAL A 61 10.591 -19.585 -13.168 1.00 2.01 C ATOM 949 O VAL A 61 9.661 -19.643 -12.364 1.00 3.25 O ATOM 950 CB VAL A 61 9.871 -19.283 -15.538 1.00 33.32 C ATOM 951 CG1 VAL A 61 10.612 -17.954 -15.517 1.00 0.55 C ATOM 952 CG2 VAL A 61 9.874 -19.883 -16.936 1.00 33.43 C ATOM 0 H VAL A 61 9.012 -21.506 -13.714 1.00 23.13 H new ATOM 0 HA VAL A 61 11.494 -20.537 -14.866 1.00 4.42 H new ATOM 0 HB VAL A 61 8.836 -19.099 -15.249 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.158 -17.273 -16.237 1.00 0.55 H new ATOM 0 HG12 VAL A 61 10.552 -17.520 -14.519 1.00 0.55 H new ATOM 0 HG13 VAL A 61 11.657 -18.116 -15.780 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.430 -19.176 -17.637 1.00 33.43 H new ATOM 0 HG22 VAL A 61 10.899 -20.098 -17.238 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.295 -20.806 -16.937 1.00 33.43 H new ATOM 962 N THR A 62 11.726 -18.939 -12.915 1.00 50.24 N ATOM 963 CA THR A 62 11.946 -18.248 -11.651 1.00 14.23 C ATOM 964 C THR A 62 12.323 -16.789 -11.880 1.00 31.34 C ATOM 965 O THR A 62 13.450 -16.482 -12.269 1.00 52.43 O ATOM 966 CB THR A 62 13.054 -18.928 -10.823 1.00 64.24 C ATOM 967 OG1 THR A 62 13.587 -20.045 -11.544 1.00 4.13 O ATOM 968 CG2 THR A 62 12.515 -19.396 -9.479 1.00 53.40 C ATOM 0 H THR A 62 12.506 -18.880 -13.569 1.00 50.24 H new ATOM 0 HA THR A 62 11.008 -18.296 -11.098 1.00 14.23 H new ATOM 0 HB THR A 62 13.845 -18.199 -10.645 1.00 64.24 H new ATOM 0 HG1 THR A 62 13.756 -19.784 -12.473 1.00 4.13 H new ATOM 0 HG21 THR A 62 13.315 -19.873 -8.912 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.135 -18.540 -8.921 1.00 53.40 H new ATOM 0 HG23 THR A 62 11.708 -20.111 -9.640 1.00 53.40 H new ATOM 976 N VAL A 63 11.373 -15.891 -11.637 1.00 71.42 N ATOM 977 CA VAL A 63 11.606 -14.463 -11.817 1.00 52.44 C ATOM 978 C VAL A 63 12.163 -13.834 -10.544 1.00 12.25 C ATOM 979 O VAL A 63 11.621 -14.023 -9.456 1.00 15.12 O ATOM 980 CB VAL A 63 10.312 -13.729 -12.215 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.597 -12.263 -12.500 1.00 23.22 C ATOM 982 CG2 VAL A 63 9.669 -14.400 -13.419 1.00 54.53 C ATOM 0 H VAL A 63 10.435 -16.128 -11.315 1.00 71.42 H new ATOM 0 HA VAL A 63 12.335 -14.359 -12.621 1.00 52.44 H new ATOM 0 HB VAL A 63 9.612 -13.783 -11.381 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.671 -11.760 -12.780 1.00 23.22 H new ATOM 0 HG12 VAL A 63 11.010 -11.793 -11.608 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.314 -12.184 -13.317 1.00 23.22 H new ATOM 0 HG21 VAL A 63 8.756 -13.869 -13.687 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.362 -14.379 -14.260 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.428 -15.434 -13.174 1.00 54.53 H new ATOM 992 N THR A 64 13.251 -13.084 -10.690 1.00 21.22 N ATOM 993 CA THR A 64 13.884 -12.427 -9.553 1.00 44.01 C ATOM 994 C THR A 64 13.965 -10.920 -9.765 1.00 25.10 C ATOM 995 O THR A 64 14.756 -10.438 -10.576 1.00 72.04 O ATOM 996 CB THR A 64 15.301 -12.976 -9.304 1.00 34.33 C ATOM 997 OG1 THR A 64 15.520 -14.147 -10.099 1.00 1.35 O ATOM 998 CG2 THR A 64 15.501 -13.312 -7.834 1.00 73.53 C ATOM 0 H THR A 64 13.712 -12.917 -11.584 1.00 21.22 H new ATOM 0 HA THR A 64 13.264 -12.636 -8.681 1.00 44.01 H new ATOM 0 HB THR A 64 16.019 -12.206 -9.586 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.424 -14.489 -9.936 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.509 -13.698 -7.683 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.363 -12.413 -7.233 1.00 73.53 H new ATOM 0 HG23 THR A 64 14.775 -14.066 -7.531 1.00 73.53 H new ATOM 1006 N VAL A 65 13.143 -10.178 -9.029 1.00 24.10 N ATOM 1007 CA VAL A 65 13.122 -8.724 -9.135 1.00 44.40 C ATOM 1008 C VAL A 65 13.104 -8.073 -7.757 1.00 72.43 C ATOM 1009 O VAL A 65 12.308 -8.442 -6.895 1.00 51.43 O ATOM 1010 CB VAL A 65 11.902 -8.236 -9.939 1.00 33.51 C ATOM 1011 CG1 VAL A 65 11.746 -6.729 -9.810 1.00 53.11 C ATOM 1012 CG2 VAL A 65 12.027 -8.645 -11.398 1.00 61.51 C ATOM 0 H VAL A 65 12.482 -10.561 -8.352 1.00 24.10 H new ATOM 0 HA VAL A 65 14.032 -8.432 -9.659 1.00 44.40 H new ATOM 0 HB VAL A 65 11.008 -8.706 -9.530 1.00 33.51 H new ATOM 0 HG11 VAL A 65 10.879 -6.402 -10.385 1.00 53.11 H new ATOM 0 HG12 VAL A 65 11.606 -6.466 -8.761 1.00 53.11 H new ATOM 0 HG13 VAL A 65 12.641 -6.237 -10.191 1.00 53.11 H new ATOM 0 HG21 VAL A 65 11.156 -8.292 -11.951 1.00 61.51 H new ATOM 0 HG22 VAL A 65 12.929 -8.206 -11.823 1.00 61.51 H new ATOM 0 HG23 VAL A 65 12.085 -9.731 -11.468 1.00 61.51 H new ATOM 1022 N GLY A 66 13.986 -7.098 -7.558 1.00 71.14 N ATOM 1023 CA GLY A 66 14.055 -6.410 -6.282 1.00 41.23 C ATOM 1024 C GLY A 66 12.726 -5.802 -5.879 1.00 23.54 C ATOM 1025 O GLY A 66 11.809 -5.700 -6.695 1.00 73.14 O ATOM 0 H GLY A 66 14.654 -6.773 -8.257 1.00 71.14 H new ATOM 0 HA2 GLY A 66 14.379 -7.110 -5.512 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.809 -5.625 -6.336 1.00 41.23 H new ATOM 1029 N LEU A 67 12.619 -5.397 -4.618 1.00 13.24 N ATOM 1030 CA LEU A 67 11.391 -4.797 -4.109 1.00 45.22 C ATOM 1031 C LEU A 67 11.113 -3.463 -4.792 1.00 21.23 C ATOM 1032 O LEU A 67 10.090 -3.296 -5.455 1.00 45.23 O ATOM 1033 CB LEU A 67 11.489 -4.598 -2.595 1.00 52.23 C ATOM 1034 CG LEU A 67 10.166 -4.626 -1.827 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.662 -6.054 -1.687 1.00 15.22 C ATOM 1036 CD2 LEU A 67 10.329 -3.979 -0.460 1.00 21.12 C ATOM 0 H LEU A 67 13.368 -5.473 -3.930 1.00 13.24 H new ATOM 0 HA LEU A 67 10.566 -5.474 -4.328 1.00 45.22 H new ATOM 0 HB2 LEU A 67 12.139 -5.373 -2.188 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.976 -3.642 -2.405 1.00 52.23 H new ATOM 0 HG LEU A 67 9.428 -4.055 -2.390 1.00 43.21 H new ATOM 0 HD11 LEU A 67 8.720 -6.055 -1.138 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.506 -6.483 -2.677 1.00 15.22 H new ATOM 0 HD13 LEU A 67 10.398 -6.648 -1.146 1.00 15.22 H new ATOM 0 HD21 LEU A 67 9.378 -4.008 0.072 1.00 21.12 H new ATOM 0 HD22 LEU A 67 11.081 -4.522 0.112 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.644 -2.943 -0.583 1.00 21.12 H new ATOM 1048 N GLU A 68 12.031 -2.515 -4.626 1.00 23.10 N ATOM 1049 CA GLU A 68 11.884 -1.195 -5.229 1.00 24.34 C ATOM 1050 C GLU A 68 11.515 -1.310 -6.705 1.00 61.31 C ATOM 1051 O GLU A 68 10.637 -0.599 -7.194 1.00 21.23 O ATOM 1052 CB GLU A 68 13.177 -0.392 -5.075 1.00 2.03 C ATOM 1053 CG GLU A 68 13.705 -0.356 -3.651 1.00 62.33 C ATOM 1054 CD GLU A 68 14.551 0.871 -3.373 1.00 54.24 C ATOM 1055 OE1 GLU A 68 14.962 1.539 -4.346 1.00 72.13 O ATOM 1056 OE2 GLU A 68 14.804 1.163 -2.187 1.00 60.41 O1- ATOM 0 H GLU A 68 12.884 -2.637 -4.079 1.00 23.10 H new ATOM 0 HA GLU A 68 11.079 -0.674 -4.711 1.00 24.34 H new ATOM 0 HB2 GLU A 68 13.940 -0.819 -5.726 1.00 2.03 H new ATOM 0 HB3 GLU A 68 13.003 0.629 -5.415 1.00 2.03 H new ATOM 0 HG2 GLU A 68 12.866 -0.379 -2.956 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.298 -1.251 -3.465 1.00 62.33 H new ATOM 1063 N ASP A 69 12.194 -2.209 -7.410 1.00 20.45 N ATOM 1064 CA ASP A 69 11.939 -2.417 -8.831 1.00 42.22 C ATOM 1065 C ASP A 69 10.457 -2.672 -9.085 1.00 43.43 C ATOM 1066 O ASP A 69 9.832 -1.995 -9.901 1.00 14.14 O ATOM 1067 CB ASP A 69 12.768 -3.592 -9.352 1.00 71.20 C ATOM 1068 CG ASP A 69 12.581 -3.817 -10.839 1.00 61.35 C ATOM 1069 OD1 ASP A 69 11.836 -3.038 -11.469 1.00 51.33 O ATOM 1070 OD2 ASP A 69 13.182 -4.773 -11.375 1.00 23.21 O1- ATOM 0 H ASP A 69 12.925 -2.805 -7.021 1.00 20.45 H new ATOM 0 HA ASP A 69 12.230 -1.512 -9.364 1.00 42.22 H new ATOM 0 HB2 ASP A 69 13.822 -3.409 -9.145 1.00 71.20 H new ATOM 0 HB3 ASP A 69 12.489 -4.497 -8.813 1.00 71.20 H new ATOM 1075 N MET A 70 9.901 -3.653 -8.381 1.00 54.02 N ATOM 1076 CA MET A 70 8.492 -3.997 -8.532 1.00 40.11 C ATOM 1077 C MET A 70 7.601 -2.814 -8.161 1.00 33.44 C ATOM 1078 O MET A 70 6.621 -2.524 -8.847 1.00 2.01 O ATOM 1079 CB MET A 70 8.144 -5.205 -7.661 1.00 64.44 C ATOM 1080 CG MET A 70 8.481 -6.538 -8.309 1.00 53.12 C ATOM 1081 SD MET A 70 7.153 -7.747 -8.142 1.00 44.35 S ATOM 1082 CE MET A 70 7.175 -8.500 -9.767 1.00 74.02 C ATOM 0 H MET A 70 10.404 -4.223 -7.701 1.00 54.02 H new ATOM 0 HA MET A 70 8.315 -4.249 -9.578 1.00 40.11 H new ATOM 0 HB2 MET A 70 8.677 -5.125 -6.714 1.00 64.44 H new ATOM 0 HB3 MET A 70 7.079 -5.181 -7.430 1.00 64.44 H new ATOM 0 HG2 MET A 70 8.693 -6.380 -9.367 1.00 53.12 H new ATOM 0 HG3 MET A 70 9.390 -6.937 -7.858 1.00 53.12 H new ATOM 0 HE1 MET A 70 6.172 -8.839 -10.024 1.00 74.02 H new ATOM 0 HE2 MET A 70 7.510 -7.769 -10.502 1.00 74.02 H new ATOM 0 HE3 MET A 70 7.856 -9.351 -9.765 1.00 74.02 H new ATOM 1092 N LEU A 71 7.948 -2.137 -7.072 1.00 4.41 N ATOM 1093 CA LEU A 71 7.181 -0.986 -6.610 1.00 52.32 C ATOM 1094 C LEU A 71 6.974 0.020 -7.738 1.00 50.24 C ATOM 1095 O LEU A 71 5.877 0.546 -7.922 1.00 51.41 O ATOM 1096 CB LEU A 71 7.891 -0.313 -5.435 1.00 73.33 C ATOM 1097 CG LEU A 71 8.022 -1.149 -4.162 1.00 72.22 C ATOM 1098 CD1 LEU A 71 8.996 -0.497 -3.192 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.662 -1.340 -3.507 1.00 30.51 C ATOM 0 H LEU A 71 8.756 -2.365 -6.493 1.00 4.41 H new ATOM 0 HA LEU A 71 6.204 -1.341 -6.281 1.00 52.32 H new ATOM 0 HB2 LEU A 71 8.890 -0.022 -5.759 1.00 73.33 H new ATOM 0 HB3 LEU A 71 7.355 0.604 -5.190 1.00 73.33 H new ATOM 0 HG LEU A 71 8.413 -2.129 -4.433 1.00 72.22 H new ATOM 0 HD11 LEU A 71 9.076 -1.107 -2.292 1.00 1.03 H new ATOM 0 HD12 LEU A 71 9.976 -0.413 -3.662 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.635 0.496 -2.926 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.775 -1.937 -2.602 1.00 30.51 H new ATOM 0 HD22 LEU A 71 6.242 -0.368 -3.250 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.994 -1.852 -4.199 1.00 30.51 H new ATOM 1111 N ALA A 72 8.037 0.280 -8.494 1.00 72.12 N ATOM 1112 CA ALA A 72 7.971 1.219 -9.606 1.00 10.33 C ATOM 1113 C ALA A 72 6.961 0.760 -10.653 1.00 3.31 C ATOM 1114 O ALA A 72 6.229 1.571 -11.221 1.00 20.22 O ATOM 1115 CB ALA A 72 9.345 1.389 -10.235 1.00 1.25 C ATOM 0 H ALA A 72 8.953 -0.147 -8.356 1.00 72.12 H new ATOM 0 HA ALA A 72 7.640 2.182 -9.217 1.00 10.33 H new ATOM 0 HB1 ALA A 72 9.281 2.093 -11.064 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.042 1.770 -9.489 1.00 1.25 H new ATOM 0 HB3 ALA A 72 9.698 0.426 -10.603 1.00 1.25 H new ATOM 1121 N ILE A 73 6.929 -0.544 -10.905 1.00 10.35 N ATOM 1122 CA ILE A 73 6.008 -1.110 -11.883 1.00 70.44 C ATOM 1123 C ILE A 73 4.572 -1.077 -11.371 1.00 3.41 C ATOM 1124 O ILE A 73 3.714 -0.405 -11.944 1.00 51.33 O ATOM 1125 CB ILE A 73 6.382 -2.562 -12.233 1.00 2.34 C ATOM 1126 CG1 ILE A 73 7.894 -2.689 -12.430 1.00 5.34 C ATOM 1127 CG2 ILE A 73 5.641 -3.014 -13.483 1.00 52.42 C ATOM 1128 CD1 ILE A 73 8.333 -4.069 -12.870 1.00 20.44 C ATOM 0 H ILE A 73 7.530 -1.228 -10.446 1.00 10.35 H new ATOM 0 HA ILE A 73 6.085 -0.496 -12.780 1.00 70.44 H new ATOM 0 HB ILE A 73 6.086 -3.207 -11.405 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.218 -1.960 -13.172 1.00 5.34 H new ATOM 0 HG13 ILE A 73 8.396 -2.438 -11.496 1.00 5.34 H new ATOM 0 HG21 ILE A 73 5.916 -4.042 -13.717 1.00 52.42 H new ATOM 0 HG22 ILE A 73 4.566 -2.956 -13.310 1.00 52.42 H new ATOM 0 HG23 ILE A 73 5.909 -2.367 -14.319 1.00 52.42 H new ATOM 0 HD11 ILE A 73 9.416 -4.085 -12.990 1.00 20.44 H new ATOM 0 HD12 ILE A 73 8.040 -4.801 -12.117 1.00 20.44 H new ATOM 0 HD13 ILE A 73 7.859 -4.316 -13.820 1.00 20.44 H new ATOM 1140 N SER A 74 4.319 -1.804 -10.288 1.00 34.22 N ATOM 1141 CA SER A 74 2.986 -1.859 -9.699 1.00 34.44 C ATOM 1142 C SER A 74 2.497 -0.462 -9.330 1.00 12.00 C ATOM 1143 O SER A 74 1.296 -0.222 -9.216 1.00 4.54 O ATOM 1144 CB SER A 74 2.989 -2.754 -8.458 1.00 32.15 C ATOM 1145 OG SER A 74 2.244 -2.169 -7.405 1.00 43.53 O ATOM 0 H SER A 74 5.019 -2.363 -9.800 1.00 34.22 H new ATOM 0 HA SER A 74 2.306 -2.280 -10.440 1.00 34.44 H new ATOM 0 HB2 SER A 74 2.568 -3.728 -8.708 1.00 32.15 H new ATOM 0 HB3 SER A 74 4.015 -2.924 -8.131 1.00 32.15 H new ATOM 0 HG SER A 74 1.353 -2.576 -7.369 1.00 43.53 H new ATOM 1151 N GLY A 75 3.438 0.459 -9.145 1.00 30.23 N ATOM 1152 CA GLY A 75 3.085 1.821 -8.791 1.00 71.54 C ATOM 1153 C GLY A 75 2.559 2.609 -9.974 1.00 52.41 C ATOM 1154 O GLY A 75 2.194 3.778 -9.838 1.00 72.55 O ATOM 0 H GLY A 75 4.439 0.286 -9.234 1.00 30.23 H new ATOM 0 HA2 GLY A 75 2.330 1.805 -8.005 1.00 71.54 H new ATOM 0 HA3 GLY A 75 3.961 2.326 -8.382 1.00 71.54 H new ATOM 1158 N LYS A 76 2.519 1.971 -11.138 1.00 72.22 N ATOM 1159 CA LYS A 76 2.034 2.619 -12.350 1.00 63.32 C ATOM 1160 C LYS A 76 3.017 3.683 -12.830 1.00 4.25 C ATOM 1161 O LYS A 76 2.733 4.429 -13.768 1.00 51.51 O ATOM 1162 CB LYS A 76 0.663 3.253 -12.101 1.00 43.21 C ATOM 1163 CG LYS A 76 0.697 4.770 -12.034 1.00 10.13 C ATOM 1164 CD LYS A 76 -0.518 5.322 -11.307 1.00 41.34 C ATOM 1165 CE LYS A 76 -0.561 6.842 -11.369 1.00 40.22 C ATOM 1166 NZ LYS A 76 -1.484 7.412 -10.351 1.00 53.25 N1+ ATOM 0 H LYS A 76 2.817 1.004 -11.268 1.00 72.22 H new ATOM 0 HA LYS A 76 1.941 1.858 -13.125 1.00 63.32 H new ATOM 0 HB2 LYS A 76 -0.018 2.948 -12.895 1.00 43.21 H new ATOM 0 HB3 LYS A 76 0.257 2.865 -11.166 1.00 43.21 H new ATOM 0 HG2 LYS A 76 1.605 5.093 -11.524 1.00 10.13 H new ATOM 0 HG3 LYS A 76 0.735 5.179 -13.044 1.00 10.13 H new ATOM 0 HD2 LYS A 76 -1.426 4.913 -11.750 1.00 41.34 H new ATOM 0 HD3 LYS A 76 -0.498 5.000 -10.266 1.00 41.34 H new ATOM 0 HE2 LYS A 76 0.442 7.240 -11.214 1.00 40.22 H new ATOM 0 HE3 LYS A 76 -0.878 7.156 -12.363 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 -1.485 8.449 -10.426 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 -2.446 7.052 -10.514 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 -1.167 7.134 -9.400 1.00 53.25 H new ATOM 1180 N THR A 77 4.176 3.746 -12.182 1.00 13.43 N ATOM 1181 CA THR A 77 5.201 4.718 -12.542 1.00 43.43 C ATOM 1182 C THR A 77 6.092 4.188 -13.660 1.00 63.21 C ATOM 1183 O THR A 77 6.517 4.941 -14.538 1.00 21.54 O ATOM 1184 CB THR A 77 6.079 5.082 -11.330 1.00 71.41 C ATOM 1185 OG1 THR A 77 7.011 4.027 -11.065 1.00 24.34 O ATOM 1186 CG2 THR A 77 5.225 5.332 -10.097 1.00 61.23 C ATOM 0 H THR A 77 4.428 3.135 -11.405 1.00 13.43 H new ATOM 0 HA THR A 77 4.682 5.612 -12.887 1.00 43.43 H new ATOM 0 HB THR A 77 6.623 5.996 -11.566 1.00 71.41 H new ATOM 0 HG1 THR A 77 6.522 3.205 -10.849 1.00 24.34 H new ATOM 0 HG21 THR A 77 5.868 5.587 -9.255 1.00 61.23 H new ATOM 0 HG22 THR A 77 4.538 6.155 -10.291 1.00 61.23 H new ATOM 0 HG23 THR A 77 4.656 4.433 -9.860 1.00 61.23 H new ATOM 1194 N LEU A 78 6.370 2.889 -13.624 1.00 61.23 N ATOM 1195 CA LEU A 78 7.210 2.259 -14.636 1.00 64.41 C ATOM 1196 C LEU A 78 6.461 1.131 -15.339 1.00 4.21 C ATOM 1197 O LEU A 78 5.383 0.722 -14.906 1.00 64.35 O ATOM 1198 CB LEU A 78 8.490 1.716 -13.998 1.00 40.00 C ATOM 1199 CG LEU A 78 9.687 1.547 -14.935 1.00 14.14 C ATOM 1200 CD1 LEU A 78 10.938 2.153 -14.317 1.00 21.42 C ATOM 1201 CD2 LEU A 78 9.908 0.076 -15.257 1.00 52.03 C ATOM 0 H LEU A 78 6.026 2.252 -12.905 1.00 61.23 H new ATOM 0 HA LEU A 78 7.472 3.014 -15.377 1.00 64.41 H new ATOM 0 HB2 LEU A 78 8.780 2.384 -13.187 1.00 40.00 H new ATOM 0 HB3 LEU A 78 8.266 0.748 -13.549 1.00 40.00 H new ATOM 0 HG LEU A 78 9.474 2.074 -15.865 1.00 14.14 H new ATOM 0 HD11 LEU A 78 11.779 2.023 -14.998 1.00 21.42 H new ATOM 0 HD12 LEU A 78 10.777 3.216 -14.137 1.00 21.42 H new ATOM 0 HD13 LEU A 78 11.155 1.654 -13.372 1.00 21.42 H new ATOM 0 HD21 LEU A 78 10.763 -0.026 -15.925 1.00 52.03 H new ATOM 0 HD22 LEU A 78 10.100 -0.473 -14.335 1.00 52.03 H new ATOM 0 HD23 LEU A 78 9.019 -0.328 -15.742 1.00 52.03 H new ATOM 1213 N THR A 79 7.041 0.631 -16.426 1.00 53.44 N ATOM 1214 CA THR A 79 6.429 -0.450 -17.189 1.00 2.24 C ATOM 1215 C THR A 79 7.357 -1.657 -17.274 1.00 31.21 C ATOM 1216 O THR A 79 8.580 -1.513 -17.280 1.00 53.42 O ATOM 1217 CB THR A 79 6.066 0.005 -18.615 1.00 73.11 C ATOM 1218 OG1 THR A 79 6.837 1.156 -18.974 1.00 25.35 O ATOM 1219 CG2 THR A 79 4.583 0.330 -18.718 1.00 71.32 C ATOM 0 H THR A 79 7.933 0.957 -16.797 1.00 53.44 H new ATOM 0 HA THR A 79 5.517 -0.732 -16.662 1.00 2.24 H new ATOM 0 HB THR A 79 6.292 -0.811 -19.301 1.00 73.11 H new ATOM 0 HG1 THR A 79 6.601 1.437 -19.883 1.00 25.35 H new ATOM 0 HG21 THR A 79 4.350 0.649 -19.734 1.00 71.32 H new ATOM 0 HG22 THR A 79 3.998 -0.557 -18.473 1.00 71.32 H new ATOM 0 HG23 THR A 79 4.337 1.131 -18.021 1.00 71.32 H new ATOM 1227 N VAL A 80 6.769 -2.847 -17.338 1.00 5.33 N ATOM 1228 CA VAL A 80 7.544 -4.079 -17.424 1.00 10.20 C ATOM 1229 C VAL A 80 8.581 -3.999 -18.538 1.00 63.11 C ATOM 1230 O VAL A 80 9.763 -4.266 -18.321 1.00 72.02 O ATOM 1231 CB VAL A 80 6.635 -5.297 -17.670 1.00 1.42 C ATOM 1232 CG1 VAL A 80 7.467 -6.529 -17.994 1.00 32.31 C ATOM 1233 CG2 VAL A 80 5.742 -5.550 -16.463 1.00 54.23 C ATOM 0 H VAL A 80 5.758 -2.984 -17.332 1.00 5.33 H new ATOM 0 HA VAL A 80 8.052 -4.201 -16.467 1.00 10.20 H new ATOM 0 HB VAL A 80 5.997 -5.083 -18.527 1.00 1.42 H new ATOM 0 HG11 VAL A 80 6.807 -7.379 -18.165 1.00 32.31 H new ATOM 0 HG12 VAL A 80 8.058 -6.343 -18.891 1.00 32.31 H new ATOM 0 HG13 VAL A 80 8.133 -6.748 -17.159 1.00 32.31 H new ATOM 0 HG21 VAL A 80 5.107 -6.415 -16.655 1.00 54.23 H new ATOM 0 HG22 VAL A 80 6.361 -5.742 -15.586 1.00 54.23 H new ATOM 0 HG23 VAL A 80 5.118 -4.675 -16.282 1.00 54.23 H new ATOM 1243 N GLY A 81 8.131 -3.629 -19.734 1.00 1.42 N ATOM 1244 CA GLY A 81 9.033 -3.521 -20.865 1.00 4.53 C ATOM 1245 C GLY A 81 10.237 -2.652 -20.564 1.00 72.43 C ATOM 1246 O GLY A 81 11.350 -2.948 -21.002 1.00 54.32 O ATOM 0 H GLY A 81 7.158 -3.402 -19.939 1.00 1.42 H new ATOM 0 HA2 GLY A 81 9.370 -4.517 -21.153 1.00 4.53 H new ATOM 0 HA3 GLY A 81 8.494 -3.108 -21.718 1.00 4.53 H new ATOM 1250 N ASP A 82 10.018 -1.576 -19.816 1.00 14.13 N ATOM 1251 CA ASP A 82 11.094 -0.661 -19.458 1.00 21.43 C ATOM 1252 C ASP A 82 12.099 -1.339 -18.532 1.00 23.42 C ATOM 1253 O ASP A 82 13.308 -1.265 -18.749 1.00 72.21 O ATOM 1254 CB ASP A 82 10.528 0.590 -18.786 1.00 22.14 C ATOM 1255 CG ASP A 82 10.592 1.810 -19.684 1.00 13.02 C ATOM 1256 OD1 ASP A 82 11.701 2.355 -19.867 1.00 14.15 O ATOM 1257 OD2 ASP A 82 9.534 2.218 -20.206 1.00 41.32 O1- ATOM 0 H ASP A 82 9.104 -1.316 -19.446 1.00 14.13 H new ATOM 0 HA ASP A 82 11.609 -0.370 -20.374 1.00 21.43 H new ATOM 0 HB2 ASP A 82 9.492 0.408 -18.499 1.00 22.14 H new ATOM 0 HB3 ASP A 82 11.082 0.788 -17.869 1.00 22.14 H new ATOM 1262 N ALA A 83 11.590 -2.001 -17.498 1.00 45.42 N ATOM 1263 CA ALA A 83 12.441 -2.693 -16.539 1.00 21.54 C ATOM 1264 C ALA A 83 13.302 -3.746 -17.230 1.00 74.42 C ATOM 1265 O ALA A 83 14.509 -3.828 -16.994 1.00 71.11 O ATOM 1266 CB ALA A 83 11.596 -3.334 -15.448 1.00 12.34 C ATOM 0 H ALA A 83 10.591 -2.072 -17.303 1.00 45.42 H new ATOM 0 HA ALA A 83 13.105 -1.958 -16.084 1.00 21.54 H new ATOM 0 HB1 ALA A 83 12.246 -3.847 -14.739 1.00 12.34 H new ATOM 0 HB2 ALA A 83 11.028 -2.563 -14.927 1.00 12.34 H new ATOM 0 HB3 ALA A 83 10.908 -4.052 -15.895 1.00 12.34 H new ATOM 1272 N LEU A 84 12.676 -4.549 -18.082 1.00 41.30 N ATOM 1273 CA LEU A 84 13.385 -5.598 -18.807 1.00 72.41 C ATOM 1274 C LEU A 84 14.569 -5.022 -19.577 1.00 23.24 C ATOM 1275 O LEU A 84 15.689 -5.525 -19.482 1.00 61.34 O ATOM 1276 CB LEU A 84 12.436 -6.311 -19.770 1.00 54.12 C ATOM 1277 CG LEU A 84 12.851 -7.717 -20.205 1.00 10.02 C ATOM 1278 CD1 LEU A 84 13.998 -7.650 -21.201 1.00 35.23 C ATOM 1279 CD2 LEU A 84 13.240 -8.556 -18.996 1.00 24.15 C ATOM 0 H LEU A 84 11.679 -4.494 -18.288 1.00 41.30 H new ATOM 0 HA LEU A 84 13.762 -6.317 -18.079 1.00 72.41 H new ATOM 0 HB2 LEU A 84 11.454 -6.373 -19.301 1.00 54.12 H new ATOM 0 HB3 LEU A 84 12.325 -5.694 -20.662 1.00 54.12 H new ATOM 0 HG LEU A 84 12.000 -8.192 -20.693 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.280 -8.660 -21.499 1.00 35.23 H new ATOM 0 HD12 LEU A 84 13.685 -7.086 -22.080 1.00 35.23 H new ATOM 0 HD13 LEU A 84 14.853 -7.156 -20.739 1.00 35.23 H new ATOM 0 HD21 LEU A 84 13.532 -9.553 -19.324 1.00 24.15 H new ATOM 0 HD22 LEU A 84 14.076 -8.084 -18.480 1.00 24.15 H new ATOM 0 HD23 LEU A 84 12.390 -8.632 -18.317 1.00 24.15 H new ATOM 1291 N LYS A 85 14.315 -3.963 -20.338 1.00 13.23 N ATOM 1292 CA LYS A 85 15.360 -3.315 -21.122 1.00 53.44 C ATOM 1293 C LYS A 85 16.559 -2.963 -20.246 1.00 73.11 C ATOM 1294 O LYS A 85 17.703 -3.232 -20.609 1.00 1.12 O ATOM 1295 CB LYS A 85 14.815 -2.051 -21.791 1.00 25.42 C ATOM 1296 CG LYS A 85 15.175 -1.938 -23.262 1.00 52.24 C ATOM 1297 CD LYS A 85 14.660 -0.640 -23.864 1.00 12.13 C ATOM 1298 CE LYS A 85 13.462 -0.883 -24.768 1.00 30.01 C ATOM 1299 NZ LYS A 85 12.699 0.371 -25.026 1.00 0.02 N1+ ATOM 0 H LYS A 85 13.394 -3.535 -20.429 1.00 13.23 H new ATOM 0 HA LYS A 85 15.688 -4.014 -21.892 1.00 53.44 H new ATOM 0 HB2 LYS A 85 13.730 -2.035 -21.689 1.00 25.42 H new ATOM 0 HB3 LYS A 85 15.198 -1.177 -21.264 1.00 25.42 H new ATOM 0 HG2 LYS A 85 16.258 -1.989 -23.378 1.00 52.24 H new ATOM 0 HG3 LYS A 85 14.756 -2.784 -23.806 1.00 52.24 H new ATOM 0 HD2 LYS A 85 14.381 0.047 -23.065 1.00 12.13 H new ATOM 0 HD3 LYS A 85 15.456 -0.161 -24.434 1.00 12.13 H new ATOM 0 HE2 LYS A 85 13.801 -1.304 -25.715 1.00 30.01 H new ATOM 0 HE3 LYS A 85 12.804 -1.621 -24.309 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 11.890 0.164 -25.646 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 12.354 0.759 -24.125 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 13.320 1.066 -25.487 1.00 0.02 H new ATOM 1313 N GLN A 86 16.286 -2.364 -19.092 1.00 11.43 N ATOM 1314 CA GLN A 86 17.343 -1.977 -18.165 1.00 53.23 C ATOM 1315 C GLN A 86 18.127 -3.198 -17.693 1.00 21.22 C ATOM 1316 O GLN A 86 19.351 -3.152 -17.568 1.00 41.42 O ATOM 1317 CB GLN A 86 16.752 -1.240 -16.962 1.00 12.42 C ATOM 1318 CG GLN A 86 16.017 0.039 -17.334 1.00 73.05 C ATOM 1319 CD GLN A 86 15.894 1.000 -16.168 1.00 42.21 C ATOM 1320 OE1 GLN A 86 16.878 1.599 -15.735 1.00 72.11 O ATOM 1321 NE2 GLN A 86 14.680 1.153 -15.652 1.00 61.43 N ATOM 0 H GLN A 86 15.343 -2.136 -18.777 1.00 11.43 H new ATOM 0 HA GLN A 86 18.026 -1.310 -18.691 1.00 53.23 H new ATOM 0 HB2 GLN A 86 16.065 -1.906 -16.440 1.00 12.42 H new ATOM 0 HB3 GLN A 86 17.554 -0.999 -16.264 1.00 12.42 H new ATOM 0 HG2 GLN A 86 16.543 0.531 -18.152 1.00 73.05 H new ATOM 0 HG3 GLN A 86 15.021 -0.212 -17.700 1.00 73.05 H new ATOM 0 HE21 GLN A 86 13.891 0.637 -16.042 1.00 61.43 H new ATOM 0 HE22 GLN A 86 14.536 1.787 -14.866 1.00 61.43 H new ATOM 1330 N GLY A 87 17.414 -4.288 -17.432 1.00 0.43 N ATOM 1331 CA GLY A 87 18.059 -5.505 -16.975 1.00 2.32 C ATOM 1332 C GLY A 87 17.996 -5.666 -15.469 1.00 44.42 C ATOM 1333 O GLY A 87 18.964 -6.095 -14.841 1.00 32.22 O ATOM 0 H GLY A 87 16.401 -4.351 -17.529 1.00 0.43 H new ATOM 0 HA2 GLY A 87 17.584 -6.364 -17.449 1.00 2.32 H new ATOM 0 HA3 GLY A 87 19.101 -5.501 -17.293 1.00 2.32 H new ATOM 1337 N LYS A 88 16.854 -5.319 -14.887 1.00 21.33 N ATOM 1338 CA LYS A 88 16.666 -5.427 -13.445 1.00 11.34 C ATOM 1339 C LYS A 88 15.885 -6.688 -13.089 1.00 1.12 C ATOM 1340 O LYS A 88 15.915 -7.147 -11.947 1.00 61.44 O ATOM 1341 CB LYS A 88 15.933 -4.194 -12.911 1.00 75.34 C ATOM 1342 CG LYS A 88 14.731 -3.792 -13.748 1.00 24.51 C ATOM 1343 CD LYS A 88 14.085 -2.520 -13.223 1.00 73.13 C ATOM 1344 CE LYS A 88 14.736 -1.280 -13.815 1.00 11.13 C ATOM 1345 NZ LYS A 88 14.494 -0.072 -12.976 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.044 -4.960 -15.392 1.00 21.33 H new ATOM 0 HA LYS A 88 17.650 -5.487 -12.981 1.00 11.34 H new ATOM 0 HB2 LYS A 88 15.605 -4.390 -11.890 1.00 75.34 H new ATOM 0 HB3 LYS A 88 16.631 -3.358 -12.867 1.00 75.34 H new ATOM 0 HG2 LYS A 88 15.040 -3.644 -14.783 1.00 24.51 H new ATOM 0 HG3 LYS A 88 13.999 -4.600 -13.747 1.00 24.51 H new ATOM 0 HD2 LYS A 88 13.022 -2.524 -13.464 1.00 73.13 H new ATOM 0 HD3 LYS A 88 14.166 -2.491 -12.136 1.00 73.13 H new ATOM 0 HE2 LYS A 88 15.809 -1.445 -13.913 1.00 11.13 H new ATOM 0 HE3 LYS A 88 14.346 -1.109 -14.819 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 15.192 0.661 -13.214 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 13.536 0.290 -13.157 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 14.585 -0.323 -11.971 1.00 30.44 H new ATOM 1359 N ILE A 89 15.189 -7.244 -14.076 1.00 4.34 N ATOM 1360 CA ILE A 89 14.403 -8.453 -13.866 1.00 61.10 C ATOM 1361 C ILE A 89 15.214 -9.701 -14.200 1.00 40.34 C ATOM 1362 O ILE A 89 15.667 -9.874 -15.332 1.00 73.31 O ATOM 1363 CB ILE A 89 13.120 -8.446 -14.719 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.327 -7.160 -14.475 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.268 -9.667 -14.406 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.568 -6.678 -15.692 1.00 63.11 C ATOM 0 H ILE A 89 15.154 -6.877 -15.027 1.00 4.34 H new ATOM 0 HA ILE A 89 14.129 -8.471 -12.811 1.00 61.10 H new ATOM 0 HB ILE A 89 13.401 -8.484 -15.771 1.00 34.53 H new ATOM 0 HG12 ILE A 89 11.623 -7.326 -13.660 1.00 63.53 H new ATOM 0 HG13 ILE A 89 13.012 -6.377 -14.150 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.365 -9.647 -15.017 1.00 22.12 H new ATOM 0 HG22 ILE A 89 12.835 -10.572 -14.625 1.00 22.12 H new ATOM 0 HG23 ILE A 89 11.993 -9.658 -13.351 1.00 22.12 H new ATOM 0 HD11 ILE A 89 11.029 -5.763 -15.446 1.00 63.11 H new ATOM 0 HD12 ILE A 89 12.269 -6.480 -16.503 1.00 63.11 H new ATOM 0 HD13 ILE A 89 10.858 -7.444 -16.005 1.00 63.11 H new ATOM 1378 N GLU A 90 15.391 -10.568 -13.209 1.00 44.31 N ATOM 1379 CA GLU A 90 16.148 -11.801 -13.399 1.00 3.44 C ATOM 1380 C GLU A 90 15.223 -12.953 -13.781 1.00 63.21 C ATOM 1381 O GLU A 90 14.084 -13.030 -13.316 1.00 12.42 O ATOM 1382 CB GLU A 90 16.920 -12.152 -12.125 1.00 21.54 C ATOM 1383 CG GLU A 90 18.427 -12.063 -12.284 1.00 21.32 C ATOM 1384 CD GLU A 90 19.139 -13.323 -11.831 1.00 53.14 C ATOM 1385 OE1 GLU A 90 18.993 -14.361 -12.509 1.00 2.24 O ATOM 1386 OE2 GLU A 90 19.840 -13.272 -10.799 1.00 73.11 O1- ATOM 0 H GLU A 90 15.021 -10.441 -12.267 1.00 44.31 H new ATOM 0 HA GLU A 90 16.856 -11.642 -14.212 1.00 3.44 H new ATOM 0 HB2 GLU A 90 16.607 -11.482 -11.324 1.00 21.54 H new ATOM 0 HB3 GLU A 90 16.655 -13.163 -11.816 1.00 21.54 H new ATOM 0 HG2 GLU A 90 18.667 -11.871 -13.330 1.00 21.32 H new ATOM 0 HG3 GLU A 90 18.799 -11.214 -11.710 1.00 21.32 H new ATOM 1393 N LEU A 91 15.719 -13.846 -14.630 1.00 41.35 N ATOM 1394 CA LEU A 91 14.938 -14.995 -15.076 1.00 12.31 C ATOM 1395 C LEU A 91 15.765 -16.275 -15.004 1.00 71.23 C ATOM 1396 O LEU A 91 16.830 -16.372 -15.612 1.00 24.34 O ATOM 1397 CB LEU A 91 14.440 -14.774 -16.505 1.00 34.35 C ATOM 1398 CG LEU A 91 13.948 -13.365 -16.833 1.00 43.14 C ATOM 1399 CD1 LEU A 91 13.722 -13.213 -18.330 1.00 21.14 C ATOM 1400 CD2 LEU A 91 12.670 -13.053 -16.066 1.00 15.23 C ATOM 0 H LEU A 91 16.659 -13.797 -15.024 1.00 41.35 H new ATOM 0 HA LEU A 91 14.080 -15.101 -14.412 1.00 12.31 H new ATOM 0 HB2 LEU A 91 15.248 -15.025 -17.193 1.00 34.35 H new ATOM 0 HB3 LEU A 91 13.628 -15.475 -16.698 1.00 34.35 H new ATOM 0 HG LEU A 91 14.715 -12.654 -16.527 1.00 43.14 H new ATOM 0 HD11 LEU A 91 13.372 -12.203 -18.544 1.00 21.14 H new ATOM 0 HD12 LEU A 91 14.658 -13.393 -18.859 1.00 21.14 H new ATOM 0 HD13 LEU A 91 12.974 -13.934 -18.660 1.00 21.14 H new ATOM 0 HD21 LEU A 91 12.335 -12.046 -16.312 1.00 15.23 H new ATOM 0 HD22 LEU A 91 11.897 -13.770 -16.341 1.00 15.23 H new ATOM 0 HD23 LEU A 91 12.863 -13.120 -14.995 1.00 15.23 H new ATOM 1412 N SER A 92 15.264 -17.255 -14.259 1.00 62.30 N ATOM 1413 CA SER A 92 15.957 -18.530 -14.107 1.00 12.01 C ATOM 1414 C SER A 92 15.143 -19.666 -14.719 1.00 53.43 C ATOM 1415 O SER A 92 14.088 -20.035 -14.205 1.00 42.11 O ATOM 1416 CB SER A 92 16.223 -18.816 -12.629 1.00 32.04 C ATOM 1417 OG SER A 92 15.763 -17.754 -11.812 1.00 24.24 O ATOM 0 H SER A 92 14.382 -17.191 -13.751 1.00 62.30 H new ATOM 0 HA SER A 92 16.909 -18.464 -14.634 1.00 12.01 H new ATOM 0 HB2 SER A 92 15.727 -19.742 -12.340 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.291 -18.964 -12.471 1.00 32.04 H new ATOM 0 HG SER A 92 14.838 -17.536 -12.050 1.00 24.24 H new ATOM 1423 N GLY A 93 15.643 -20.217 -15.821 1.00 72.14 N ATOM 1424 CA GLY A 93 14.951 -21.306 -16.485 1.00 41.14 C ATOM 1425 C GLY A 93 14.788 -21.066 -17.973 1.00 52.41 C ATOM 1426 O GLY A 93 15.594 -21.536 -18.777 1.00 72.03 O ATOM 0 H GLY A 93 16.515 -19.929 -16.265 1.00 72.14 H new ATOM 0 HA2 GLY A 93 15.503 -22.233 -16.328 1.00 41.14 H new ATOM 0 HA3 GLY A 93 13.969 -21.439 -16.032 1.00 41.14 H new ATOM 1430 N ASP A 94 13.742 -20.336 -18.342 1.00 50.01 N ATOM 1431 CA ASP A 94 13.474 -20.035 -19.744 1.00 42.00 C ATOM 1432 C ASP A 94 13.090 -18.570 -19.923 1.00 61.22 C ATOM 1433 O ASP A 94 11.935 -18.193 -19.729 1.00 24.31 O ATOM 1434 CB ASP A 94 12.360 -20.936 -20.278 1.00 44.20 C ATOM 1435 CG ASP A 94 12.765 -21.675 -21.537 1.00 62.13 C ATOM 1436 OD1 ASP A 94 13.580 -21.129 -22.310 1.00 22.23 O ATOM 1437 OD2 ASP A 94 12.268 -22.801 -21.750 1.00 42.01 O1- ATOM 0 H ASP A 94 13.065 -19.941 -17.689 1.00 50.01 H new ATOM 0 HA ASP A 94 14.386 -20.224 -20.310 1.00 42.00 H new ATOM 0 HB2 ASP A 94 12.082 -21.658 -19.510 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.476 -20.332 -20.483 1.00 44.20 H new ATOM 1442 N ALA A 95 14.067 -17.748 -20.291 1.00 52.22 N ATOM 1443 CA ALA A 95 13.832 -16.324 -20.497 1.00 61.03 C ATOM 1444 C ALA A 95 12.656 -16.093 -21.439 1.00 63.24 C ATOM 1445 O ALA A 95 11.923 -15.113 -21.303 1.00 24.01 O ATOM 1446 CB ALA A 95 15.085 -15.655 -21.039 1.00 22.22 C ATOM 0 H ALA A 95 15.030 -18.044 -20.453 1.00 52.22 H new ATOM 0 HA ALA A 95 13.585 -15.879 -19.533 1.00 61.03 H new ATOM 0 HB1 ALA A 95 14.895 -14.592 -21.188 1.00 22.22 H new ATOM 0 HB2 ALA A 95 15.901 -15.781 -20.328 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.359 -16.111 -21.990 1.00 22.22 H new ATOM 1452 N ASP A 96 12.482 -17.000 -22.394 1.00 31.21 N ATOM 1453 CA ASP A 96 11.394 -16.894 -23.360 1.00 63.04 C ATOM 1454 C ASP A 96 10.040 -16.929 -22.658 1.00 71.11 C ATOM 1455 O ASP A 96 9.171 -16.096 -22.920 1.00 42.54 O ATOM 1456 CB ASP A 96 11.482 -18.027 -24.384 1.00 13.52 C ATOM 1457 CG ASP A 96 11.003 -17.602 -25.758 1.00 14.13 C ATOM 1458 OD1 ASP A 96 10.012 -16.846 -25.834 1.00 42.02 O ATOM 1459 OD2 ASP A 96 11.620 -18.025 -26.758 1.00 51.14 O1- ATOM 0 H ASP A 96 13.080 -17.817 -22.520 1.00 31.21 H new ATOM 0 HA ASP A 96 11.490 -15.939 -23.877 1.00 63.04 H new ATOM 0 HB2 ASP A 96 12.514 -18.372 -24.452 1.00 13.52 H new ATOM 0 HB3 ASP A 96 10.886 -18.872 -24.039 1.00 13.52 H new ATOM 1464 N LEU A 97 9.866 -17.899 -21.767 1.00 21.24 N ATOM 1465 CA LEU A 97 8.616 -18.044 -21.028 1.00 53.03 C ATOM 1466 C LEU A 97 8.268 -16.756 -20.290 1.00 34.03 C ATOM 1467 O LEU A 97 7.139 -16.274 -20.362 1.00 22.40 O ATOM 1468 CB LEU A 97 8.719 -19.204 -20.036 1.00 23.04 C ATOM 1469 CG LEU A 97 7.903 -20.451 -20.373 1.00 32.22 C ATOM 1470 CD1 LEU A 97 8.216 -21.575 -19.397 1.00 33.50 C ATOM 1471 CD2 LEU A 97 6.415 -20.133 -20.363 1.00 13.34 C ATOM 0 H LEU A 97 10.574 -18.597 -21.539 1.00 21.24 H new ATOM 0 HA LEU A 97 7.821 -18.256 -21.743 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.767 -19.492 -19.952 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.408 -18.845 -19.055 1.00 23.04 H new ATOM 0 HG LEU A 97 8.178 -20.781 -21.375 1.00 32.22 H new ATOM 0 HD11 LEU A 97 7.625 -22.454 -19.653 1.00 33.50 H new ATOM 0 HD12 LEU A 97 9.276 -21.821 -19.453 1.00 33.50 H new ATOM 0 HD13 LEU A 97 7.971 -21.256 -18.384 1.00 33.50 H new ATOM 0 HD21 LEU A 97 5.849 -21.033 -20.605 1.00 13.34 H new ATOM 0 HD22 LEU A 97 6.126 -19.777 -19.374 1.00 13.34 H new ATOM 0 HD23 LEU A 97 6.203 -19.361 -21.103 1.00 13.34 H new ATOM 1483 N ALA A 98 9.247 -16.204 -19.580 1.00 51.02 N ATOM 1484 CA ALA A 98 9.046 -14.969 -18.832 1.00 72.21 C ATOM 1485 C ALA A 98 8.876 -13.780 -19.770 1.00 74.34 C ATOM 1486 O ALA A 98 8.155 -12.831 -19.461 1.00 70.15 O ATOM 1487 CB ALA A 98 10.210 -14.733 -17.881 1.00 43.44 C ATOM 0 H ALA A 98 10.187 -16.593 -19.507 1.00 51.02 H new ATOM 0 HA ALA A 98 8.130 -15.071 -18.249 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.047 -13.807 -17.329 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.282 -15.565 -17.181 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.136 -14.657 -18.451 1.00 43.44 H new ATOM 1493 N ALA A 99 9.545 -13.837 -20.917 1.00 41.25 N ATOM 1494 CA ALA A 99 9.467 -12.764 -21.901 1.00 41.24 C ATOM 1495 C ALA A 99 8.051 -12.624 -22.449 1.00 64.45 C ATOM 1496 O ALA A 99 7.503 -11.523 -22.508 1.00 63.22 O ATOM 1497 CB ALA A 99 10.451 -13.015 -23.034 1.00 14.33 C ATOM 0 H ALA A 99 10.147 -14.615 -21.188 1.00 41.25 H new ATOM 0 HA ALA A 99 9.731 -11.830 -21.405 1.00 41.24 H new ATOM 0 HB1 ALA A 99 10.382 -12.206 -23.762 1.00 14.33 H new ATOM 0 HB2 ALA A 99 11.464 -13.058 -22.634 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.213 -13.961 -23.520 1.00 14.33 H new ATOM 1503 N LYS A 100 7.462 -13.746 -22.849 1.00 1.23 N ATOM 1504 CA LYS A 100 6.110 -13.748 -23.392 1.00 72.44 C ATOM 1505 C LYS A 100 5.143 -13.039 -22.447 1.00 13.34 C ATOM 1506 O LYS A 100 4.233 -12.335 -22.889 1.00 61.21 O ATOM 1507 CB LYS A 100 5.639 -15.184 -23.637 1.00 31.43 C ATOM 1508 CG LYS A 100 4.393 -15.277 -24.500 1.00 4.53 C ATOM 1509 CD LYS A 100 4.286 -16.631 -25.181 1.00 22.41 C ATOM 1510 CE LYS A 100 2.846 -16.962 -25.541 1.00 35.11 C ATOM 1511 NZ LYS A 100 2.720 -17.429 -26.950 1.00 40.13 N1+ ATOM 0 H LYS A 100 7.901 -14.666 -22.807 1.00 1.23 H new ATOM 0 HA LYS A 100 6.125 -13.210 -24.340 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.443 -15.745 -24.113 1.00 31.43 H new ATOM 0 HB3 LYS A 100 5.442 -15.662 -22.677 1.00 31.43 H new ATOM 0 HG2 LYS A 100 3.510 -15.108 -23.884 1.00 4.53 H new ATOM 0 HG3 LYS A 100 4.412 -14.490 -25.254 1.00 4.53 H new ATOM 0 HD2 LYS A 100 4.898 -16.635 -26.083 1.00 22.41 H new ATOM 0 HD3 LYS A 100 4.684 -17.403 -24.523 1.00 22.41 H new ATOM 0 HE2 LYS A 100 2.471 -17.733 -24.868 1.00 35.11 H new ATOM 0 HE3 LYS A 100 2.223 -16.080 -25.394 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 1.724 -17.644 -27.157 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 3.054 -16.684 -27.594 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 3.294 -18.285 -27.085 1.00 40.13 H new ATOM 1525 N LEU A 101 5.346 -13.230 -21.149 1.00 12.30 N ATOM 1526 CA LEU A 101 4.493 -12.607 -20.142 1.00 3.23 C ATOM 1527 C LEU A 101 4.439 -11.095 -20.334 1.00 62.45 C ATOM 1528 O LEU A 101 3.362 -10.513 -20.458 1.00 14.21 O ATOM 1529 CB LEU A 101 5.003 -12.937 -18.738 1.00 62.20 C ATOM 1530 CG LEU A 101 4.183 -13.956 -17.948 1.00 45.40 C ATOM 1531 CD1 LEU A 101 4.763 -14.143 -16.554 1.00 50.44 C ATOM 1532 CD2 LEU A 101 2.726 -13.521 -17.868 1.00 34.24 C ATOM 0 H LEU A 101 6.093 -13.811 -20.768 1.00 12.30 H new ATOM 0 HA LEU A 101 3.485 -13.005 -20.258 1.00 3.23 H new ATOM 0 HB2 LEU A 101 6.024 -13.309 -18.822 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.048 -12.012 -18.163 1.00 62.20 H new ATOM 0 HG LEU A 101 4.228 -14.912 -18.469 1.00 45.40 H new ATOM 0 HD11 LEU A 101 4.166 -14.872 -16.006 1.00 50.44 H new ATOM 0 HD12 LEU A 101 5.790 -14.500 -16.632 1.00 50.44 H new ATOM 0 HD13 LEU A 101 4.749 -13.191 -16.023 1.00 50.44 H new ATOM 0 HD21 LEU A 101 2.157 -14.258 -17.302 1.00 34.24 H new ATOM 0 HD22 LEU A 101 2.662 -12.553 -17.371 1.00 34.24 H new ATOM 0 HD23 LEU A 101 2.315 -13.440 -18.874 1.00 34.24 H new ATOM 1544 N ALA A 102 5.609 -10.464 -20.359 1.00 31.42 N ATOM 1545 CA ALA A 102 5.695 -9.021 -20.541 1.00 1.32 C ATOM 1546 C ALA A 102 4.860 -8.566 -21.733 1.00 62.44 C ATOM 1547 O ALA A 102 4.134 -7.576 -21.653 1.00 20.35 O ATOM 1548 CB ALA A 102 7.146 -8.597 -20.717 1.00 64.24 C ATOM 0 H ALA A 102 6.510 -10.930 -20.255 1.00 31.42 H new ATOM 0 HA ALA A 102 5.294 -8.543 -19.647 1.00 1.32 H new ATOM 0 HB1 ALA A 102 7.196 -7.517 -20.852 1.00 64.24 H new ATOM 0 HB2 ALA A 102 7.717 -8.879 -19.832 1.00 64.24 H new ATOM 0 HB3 ALA A 102 7.566 -9.092 -21.593 1.00 64.24 H new ATOM 1554 N GLU A 103 4.970 -9.296 -22.839 1.00 45.13 N ATOM 1555 CA GLU A 103 4.226 -8.965 -24.048 1.00 0.13 C ATOM 1556 C GLU A 103 2.736 -8.825 -23.750 1.00 54.13 C ATOM 1557 O GLU A 103 2.048 -7.996 -24.345 1.00 43.44 O ATOM 1558 CB GLU A 103 4.443 -10.039 -25.117 1.00 65.34 C ATOM 1559 CG GLU A 103 5.906 -10.286 -25.442 1.00 71.40 C ATOM 1560 CD GLU A 103 6.680 -9.001 -25.664 1.00 43.23 C ATOM 1561 OE1 GLU A 103 7.132 -8.401 -24.666 1.00 35.33 O ATOM 1562 OE2 GLU A 103 6.834 -8.595 -26.836 1.00 44.42 O1- ATOM 0 H GLU A 103 5.566 -10.119 -22.922 1.00 45.13 H new ATOM 0 HA GLU A 103 4.596 -8.010 -24.420 1.00 0.13 H new ATOM 0 HB2 GLU A 103 3.992 -10.972 -24.780 1.00 65.34 H new ATOM 0 HB3 GLU A 103 3.922 -9.744 -26.028 1.00 65.34 H new ATOM 0 HG2 GLU A 103 6.365 -10.846 -24.628 1.00 71.40 H new ATOM 0 HG3 GLU A 103 5.976 -10.907 -26.335 1.00 71.40 H new ATOM 1569 N VAL A 104 2.245 -9.640 -22.822 1.00 33.41 N ATOM 1570 CA VAL A 104 0.838 -9.607 -22.442 1.00 23.33 C ATOM 1571 C VAL A 104 0.544 -8.427 -21.522 1.00 20.50 C ATOM 1572 O VAL A 104 -0.485 -7.764 -21.657 1.00 4.15 O ATOM 1573 CB VAL A 104 0.416 -10.910 -21.736 1.00 33.51 C ATOM 1574 CG1 VAL A 104 -1.097 -11.062 -21.757 1.00 74.10 C ATOM 1575 CG2 VAL A 104 1.089 -12.109 -22.387 1.00 43.11 C ATOM 0 H VAL A 104 2.801 -10.332 -22.319 1.00 33.41 H new ATOM 0 HA VAL A 104 0.265 -9.498 -23.363 1.00 23.33 H new ATOM 0 HB VAL A 104 0.738 -10.861 -20.696 1.00 33.51 H new ATOM 0 HG11 VAL A 104 -1.377 -11.988 -21.254 1.00 74.10 H new ATOM 0 HG12 VAL A 104 -1.555 -10.217 -21.243 1.00 74.10 H new ATOM 0 HG13 VAL A 104 -1.446 -11.090 -22.789 1.00 74.10 H new ATOM 0 HG21 VAL A 104 0.780 -13.021 -21.876 1.00 43.11 H new ATOM 0 HG22 VAL A 104 0.798 -12.164 -23.436 1.00 43.11 H new ATOM 0 HG23 VAL A 104 2.171 -12.002 -22.316 1.00 43.11 H new ATOM 1585 N ILE A 105 1.455 -8.170 -20.590 1.00 64.50 N ATOM 1586 CA ILE A 105 1.295 -7.068 -19.649 1.00 64.45 C ATOM 1587 C ILE A 105 1.005 -5.760 -20.379 1.00 25.40 C ATOM 1588 O ILE A 105 0.268 -4.909 -19.880 1.00 74.01 O ATOM 1589 CB ILE A 105 2.549 -6.887 -18.775 1.00 25.25 C ATOM 1590 CG1 ILE A 105 2.800 -8.144 -17.938 1.00 71.41 C ATOM 1591 CG2 ILE A 105 2.397 -5.669 -17.876 1.00 10.31 C ATOM 1592 CD1 ILE A 105 4.183 -8.198 -17.327 1.00 20.20 C ATOM 0 H ILE A 105 2.312 -8.710 -20.466 1.00 64.50 H new ATOM 0 HA ILE A 105 0.450 -7.320 -19.009 1.00 64.45 H new ATOM 0 HB ILE A 105 3.408 -6.729 -19.427 1.00 25.25 H new ATOM 0 HG12 ILE A 105 2.058 -8.194 -17.141 1.00 71.41 H new ATOM 0 HG13 ILE A 105 2.654 -9.023 -18.565 1.00 71.41 H new ATOM 0 HG21 ILE A 105 3.292 -5.554 -17.264 1.00 10.31 H new ATOM 0 HG22 ILE A 105 2.261 -4.779 -18.490 1.00 10.31 H new ATOM 0 HG23 ILE A 105 1.530 -5.800 -17.229 1.00 10.31 H new ATOM 0 HD11 ILE A 105 4.289 -9.115 -16.748 1.00 20.20 H new ATOM 0 HD12 ILE A 105 4.932 -8.180 -18.119 1.00 20.20 H new ATOM 0 HD13 ILE A 105 4.326 -7.338 -16.673 1.00 20.20 H new ATOM 1604 N HIS A 106 1.588 -5.608 -21.563 1.00 4.44 N ATOM 1605 CA HIS A 106 1.391 -4.404 -22.363 1.00 52.41 C ATOM 1606 C HIS A 106 -0.095 -4.123 -22.563 1.00 72.24 C ATOM 1607 O HIS A 106 -0.755 -4.766 -23.379 1.00 4.11 O ATOM 1608 CB HIS A 106 2.081 -4.549 -23.719 1.00 33.32 C ATOM 1609 CG HIS A 106 3.096 -3.481 -23.993 1.00 62.22 C ATOM 1610 ND1 HIS A 106 2.847 -2.140 -23.799 1.00 53.42 N ATOM 1611 CD2 HIS A 106 4.368 -3.564 -24.447 1.00 33.43 C ATOM 1612 CE1 HIS A 106 3.921 -1.443 -24.122 1.00 21.21 C ATOM 1613 NE2 HIS A 106 4.859 -2.285 -24.519 1.00 23.34 N ATOM 0 H HIS A 106 2.201 -6.303 -21.990 1.00 4.44 H new ATOM 0 HA HIS A 106 1.833 -3.564 -21.827 1.00 52.41 H new ATOM 0 HB2 HIS A 106 2.569 -5.523 -23.767 1.00 33.32 H new ATOM 0 HB3 HIS A 106 1.326 -4.531 -24.505 1.00 33.32 H new ATOM 0 HD2 HIS A 106 4.898 -4.469 -24.705 1.00 33.43 H new ATOM 0 HE1 HIS A 106 4.017 -0.368 -24.071 1.00 21.21 H new ATOM 0 HE2 HIS A 106 5.796 -2.026 -24.829 1.00 23.34 H new ATOM 1621 N HIS A 107 -0.615 -3.157 -21.811 1.00 10.53 N ATOM 1622 CA HIS A 107 -2.025 -2.791 -21.906 1.00 31.12 C ATOM 1623 C HIS A 107 -2.349 -1.636 -20.963 1.00 63.22 C ATOM 1624 O HIS A 107 -1.452 -1.016 -20.390 1.00 44.22 O ATOM 1625 CB HIS A 107 -2.910 -3.994 -21.581 1.00 2.41 C ATOM 1626 CG HIS A 107 -3.898 -4.319 -22.659 1.00 35.31 C ATOM 1627 ND1 HIS A 107 -5.237 -4.534 -22.412 1.00 74.24 N ATOM 1628 CD2 HIS A 107 -3.734 -4.464 -23.995 1.00 40.51 C ATOM 1629 CE1 HIS A 107 -5.855 -4.798 -23.550 1.00 60.13 C ATOM 1630 NE2 HIS A 107 -4.965 -4.762 -24.525 1.00 32.02 N ATOM 0 H HIS A 107 -0.083 -2.615 -21.131 1.00 10.53 H new ATOM 0 HA HIS A 107 -2.224 -2.470 -22.929 1.00 31.12 H new ATOM 0 HB2 HIS A 107 -2.277 -4.864 -21.406 1.00 2.41 H new ATOM 0 HB3 HIS A 107 -3.448 -3.799 -20.653 1.00 2.41 H new ATOM 0 HD2 HIS A 107 -2.808 -4.364 -24.542 1.00 40.51 H new ATOM 0 HE1 HIS A 107 -6.908 -5.007 -23.663 1.00 60.13 H new ATOM 0 HE2 HIS A 107 -5.160 -4.929 -25.512 1.00 32.02 H new ATOM 1638 N HIS A 108 -3.639 -1.352 -20.806 1.00 45.32 N ATOM 1639 CA HIS A 108 -4.082 -0.271 -19.931 1.00 4.03 C ATOM 1640 C HIS A 108 -3.672 -0.538 -18.486 1.00 72.22 C ATOM 1641 O HIS A 108 -3.398 -1.678 -18.109 1.00 3.23 O ATOM 1642 CB HIS A 108 -5.600 -0.104 -20.021 1.00 41.24 C ATOM 1643 CG HIS A 108 -6.360 -1.342 -19.653 1.00 54.24 C ATOM 1644 ND1 HIS A 108 -6.819 -2.247 -20.585 1.00 72.21 N ATOM 1645 CD2 HIS A 108 -6.739 -1.821 -18.446 1.00 62.05 C ATOM 1646 CE1 HIS A 108 -7.450 -3.230 -19.968 1.00 12.10 C ATOM 1647 NE2 HIS A 108 -7.416 -2.995 -18.668 1.00 53.45 N ATOM 0 H HIS A 108 -4.394 -1.854 -21.272 1.00 45.32 H new ATOM 0 HA HIS A 108 -3.602 0.650 -20.261 1.00 4.03 H new ATOM 0 HB2 HIS A 108 -5.908 0.710 -19.365 1.00 41.24 H new ATOM 0 HB3 HIS A 108 -5.866 0.188 -21.037 1.00 41.24 H new ATOM 0 HD2 HIS A 108 -6.545 -1.365 -17.486 1.00 62.05 H new ATOM 0 HE1 HIS A 108 -7.914 -4.081 -20.445 1.00 12.10 H new ATOM 0 HE2 HIS A 108 -7.826 -3.589 -17.947 1.00 53.45 H new ATOM 1655 N HIS A 109 -3.630 0.520 -17.683 1.00 52.35 N ATOM 1656 CA HIS A 109 -3.253 0.400 -16.280 1.00 11.14 C ATOM 1657 C HIS A 109 -4.463 0.597 -15.373 1.00 61.53 C ATOM 1658 O HIS A 109 -5.587 0.768 -15.848 1.00 23.40 O ATOM 1659 CB HIS A 109 -2.169 1.421 -15.932 1.00 3.42 C ATOM 1660 CG HIS A 109 -0.919 1.268 -16.742 1.00 63.42 C ATOM 1661 ND1 HIS A 109 -0.657 2.015 -17.870 1.00 45.04 N ATOM 1662 CD2 HIS A 109 0.145 0.446 -16.581 1.00 32.11 C ATOM 1663 CE1 HIS A 109 0.514 1.660 -18.369 1.00 34.32 C ATOM 1664 NE2 HIS A 109 1.021 0.710 -17.605 1.00 11.45 N ATOM 0 H HIS A 109 -3.852 1.470 -17.980 1.00 52.35 H new ATOM 0 HA HIS A 109 -2.861 -0.604 -16.120 1.00 11.14 H new ATOM 0 HB2 HIS A 109 -2.567 2.425 -16.079 1.00 3.42 H new ATOM 0 HB3 HIS A 109 -1.920 1.328 -14.875 1.00 3.42 H new ATOM 0 HD2 HIS A 109 0.280 -0.281 -15.794 1.00 32.11 H new ATOM 0 HE1 HIS A 109 0.977 2.076 -19.251 1.00 34.32 H new ATOM 0 HE2 HIS A 109 1.918 0.247 -17.752 1.00 11.45 H new ATOM 1672 N HIS A 110 -4.228 0.572 -14.065 1.00 63.25 N ATOM 1673 CA HIS A 110 -5.300 0.747 -13.091 1.00 60.44 C ATOM 1674 C HIS A 110 -4.735 1.105 -11.720 1.00 41.24 C ATOM 1675 O HIS A 110 -3.702 0.578 -11.306 1.00 3.33 O ATOM 1676 CB HIS A 110 -6.141 -0.525 -12.993 1.00 25.35 C ATOM 1677 CG HIS A 110 -7.613 -0.264 -12.899 1.00 31.33 C ATOM 1678 ND1 HIS A 110 -8.196 0.384 -11.831 1.00 3.51 N ATOM 1679 CD2 HIS A 110 -8.622 -0.567 -13.749 1.00 15.11 C ATOM 1680 CE1 HIS A 110 -9.500 0.468 -12.027 1.00 32.02 C ATOM 1681 NE2 HIS A 110 -9.785 -0.101 -13.185 1.00 44.22 N ATOM 0 H HIS A 110 -3.305 0.432 -13.655 1.00 63.25 H new ATOM 0 HA HIS A 110 -5.934 1.567 -13.428 1.00 60.44 H new ATOM 0 HB2 HIS A 110 -5.946 -1.148 -13.866 1.00 25.35 H new ATOM 0 HB3 HIS A 110 -5.825 -1.094 -12.118 1.00 25.35 H new ATOM 0 HD2 HIS A 110 -8.530 -1.080 -14.695 1.00 15.11 H new ATOM 0 HE1 HIS A 110 -10.212 0.924 -11.355 1.00 32.02 H new ATOM 0 HE2 HIS A 110 -10.716 -0.181 -13.593 1.00 44.22 H new ATOM 1689 N HIS A 111 -5.419 2.004 -11.019 1.00 71.21 N ATOM 1690 CA HIS A 111 -4.986 2.432 -9.694 1.00 52.02 C ATOM 1691 C HIS A 111 -5.938 1.919 -8.618 1.00 34.54 C ATOM 1692 O HIS A 111 -5.782 2.283 -7.454 1.00 65.33 O ATOM 1693 CB HIS A 111 -4.900 3.958 -9.630 1.00 34.45 C ATOM 1694 CG HIS A 111 -3.738 4.459 -8.830 1.00 61.54 C ATOM 1695 ND1 HIS A 111 -3.842 5.487 -7.916 1.00 13.21 N ATOM 1696 CD2 HIS A 111 -2.442 4.068 -8.809 1.00 3.44 C ATOM 1697 CE1 HIS A 111 -2.660 5.706 -7.368 1.00 13.33 C ATOM 1698 NE2 HIS A 111 -1.793 4.859 -7.892 1.00 25.24 N ATOM 0 H HIS A 111 -6.276 2.450 -11.347 1.00 71.21 H new ATOM 0 HA HIS A 111 -3.997 2.012 -9.509 1.00 52.02 H new ATOM 0 HB2 HIS A 111 -4.830 4.353 -10.644 1.00 34.45 H new ATOM 0 HB3 HIS A 111 -5.822 4.348 -9.199 1.00 34.45 H new ATOM 0 HD2 HIS A 111 -2.001 3.281 -9.402 1.00 3.44 H new ATOM 0 HE1 HIS A 111 -2.440 6.452 -6.618 1.00 13.33 H new ATOM 0 HE2 HIS A 111 -0.803 4.801 -7.655 1.00 25.24 H new TER 1706 HIS A 111 HETATM 1707 C1 PLM A 201 -1.154 -16.580 -19.451 1.00 11.25 C HETATM 1708 O1 PLM A 201 -0.298 -16.372 -18.413 1.00 30.44 O HETATM 1709 O2 PLM A 201 -2.058 -17.410 -19.422 1.00 43.03 O HETATM 1710 C2 PLM A 201 -0.865 -15.668 -20.674 1.00 21.42 C HETATM 1711 C3 PLM A 201 -1.246 -14.183 -20.335 1.00 43.24 C HETATM 1712 C4 PLM A 201 -0.290 -13.473 -19.350 1.00 40.30 C HETATM 1713 C5 PLM A 201 -1.048 -12.642 -18.298 1.00 45.00 C HETATM 1714 C6 PLM A 201 -1.271 -13.426 -16.991 1.00 34.21 C HETATM 1715 C7 PLM A 201 -0.288 -13.005 -15.883 1.00 23.23 C HETATM 1716 C8 PLM A 201 -0.523 -11.555 -15.416 1.00 50.35 C HETATM 1717 C9 PLM A 201 0.724 -10.949 -14.739 1.00 13.45 C HETATM 1718 CA PLM A 201 1.778 -11.987 -14.302 1.00 44.10 C HETATM 1719 CB PLM A 201 2.834 -11.313 -13.406 1.00 71.52 C HETATM 1720 CC PLM A 201 3.424 -12.508 -12.412 1.00 61.21 C HETATM 1721 CD PLM A 201 4.404 -11.925 -11.375 1.00 62.02 C HETATM 1722 CE PLM A 201 5.651 -11.306 -12.034 1.00 10.40 C HETATM 1723 CF PLM A 201 6.376 -12.302 -12.957 1.00 25.23 C HETATM 1724 CG PLM A 201 6.816 -13.563 -12.201 1.00 45.31 C HETATM 0 HG3 PLM A 201 7.496 -13.286 -11.396 1.00 45.31 H new HETATM 0 HG2 PLM A 201 5.941 -14.060 -11.782 1.00 45.31 H new HETATM 0 HG1 PLM A 201 7.324 -14.240 -12.888 1.00 45.31 H new HETATM 0 HF2 PLM A 201 5.717 -12.582 -13.779 1.00 25.23 H new HETATM 0 HF1 PLM A 201 7.248 -11.820 -13.398 1.00 25.23 H new HETATM 0 HE2 PLM A 201 5.358 -10.428 -12.609 1.00 10.40 H new HETATM 0 HE1 PLM A 201 6.338 -10.965 -11.259 1.00 10.40 H new HETATM 0 HD2 PLM A 201 3.894 -11.165 -10.783 1.00 62.02 H new HETATM 0 HD1 PLM A 201 4.712 -12.712 -10.687 1.00 62.02 H new HETATM 0 HC2 PLM A 201 2.598 -13.002 -11.900 1.00 61.21 H new HETATM 0 HC1 PLM A 201 3.929 -13.267 -13.009 1.00 61.21 H new HETATM 0 HB2 PLM A 201 3.632 -10.875 -14.006 1.00 71.52 H new HETATM 0 HB1 PLM A 201 2.392 -10.504 -12.824 1.00 71.52 H new HETATM 0 HA2 PLM A 201 1.297 -12.802 -13.762 1.00 44.10 H new HETATM 0 HA1 PLM A 201 2.257 -12.424 -15.178 1.00 44.10 H new HETATM 0 H92 PLM A 201 1.190 -10.244 -15.427 1.00 13.45 H new HETATM 0 H91 PLM A 201 0.408 -10.380 -13.865 1.00 13.45 H new HETATM 0 H82 PLM A 201 -0.804 -10.941 -16.272 1.00 50.35 H new HETATM 0 H81 PLM A 201 -1.360 -11.531 -14.718 1.00 50.35 H new HETATM 0 H72 PLM A 201 -0.391 -13.680 -15.033 1.00 23.23 H new HETATM 0 H71 PLM A 201 0.734 -13.106 -16.249 1.00 23.23 H new HETATM 0 H62 PLM A 201 -2.293 -13.270 -16.646 1.00 34.21 H new HETATM 0 H61 PLM A 201 -1.160 -14.493 -17.186 1.00 34.21 H new HETATM 0 H52 PLM A 201 -0.488 -11.732 -18.083 1.00 45.00 H new HETATM 0 H51 PLM A 201 -2.011 -12.335 -18.705 1.00 45.00 H new HETATM 0 H42 PLM A 201 0.328 -14.217 -18.846 1.00 40.30 H new HETATM 0 H41 PLM A 201 0.385 -12.823 -19.907 1.00 40.30 H new HETATM 0 H32 PLM A 201 -1.279 -13.611 -21.262 1.00 43.24 H new HETATM 0 H31 PLM A 201 -2.252 -14.168 -19.916 1.00 43.24 H new HETATM 0 H22 PLM A 201 0.189 -15.730 -20.944 1.00 21.42 H new HETATM 0 H21 PLM A 201 -1.435 -16.011 -21.537 1.00 21.42 H new HETATM 0 H PLM A 201 0.625 -16.390 -18.742 1.00 30.44 H new HETATM 1757 C1 PLM A 202 1.915 -5.984 -14.071 1.00 15.44 C HETATM 1758 O1 PLM A 202 1.362 -4.880 -14.648 1.00 73.20 O HETATM 1759 O2 PLM A 202 2.795 -6.651 -14.602 1.00 74.42 O HETATM 1760 C2 PLM A 202 1.312 -6.311 -12.677 1.00 5.04 C HETATM 1761 C3 PLM A 202 1.765 -5.233 -11.632 1.00 32.23 C HETATM 1762 C4 PLM A 202 2.888 -5.687 -10.670 1.00 44.01 C HETATM 1763 C5 PLM A 202 4.223 -4.974 -10.954 1.00 2.30 C HETATM 1764 C6 PLM A 202 5.378 -5.969 -11.179 1.00 64.43 C HETATM 1765 C7 PLM A 202 5.074 -6.968 -12.312 1.00 32.51 C HETATM 1766 C8 PLM A 202 6.084 -6.860 -13.469 1.00 51.45 C HETATM 1767 C9 PLM A 202 7.489 -7.353 -13.067 1.00 51.43 C HETATM 1768 CA PLM A 202 8.407 -7.700 -14.258 1.00 44.42 C HETATM 1769 CB PLM A 202 8.027 -9.080 -14.827 1.00 34.24 C HETATM 1770 CC PLM A 202 9.212 -9.466 -15.926 1.00 0.42 C HETATM 1771 CD PLM A 202 8.628 -9.580 -17.347 1.00 12.51 C HETATM 1772 CE PLM A 202 9.589 -9.030 -18.417 1.00 22.43 C HETATM 1773 CF PLM A 202 10.133 -10.140 -19.335 1.00 30.40 C HETATM 1774 CG PLM A 202 11.304 -10.891 -18.689 1.00 53.12 C HETATM 0 HG3 PLM A 202 12.114 -10.192 -18.481 1.00 53.12 H new HETATM 0 HG2 PLM A 202 10.972 -11.350 -17.758 1.00 53.12 H new HETATM 0 HG1 PLM A 202 11.659 -11.666 -19.369 1.00 53.12 H new HETATM 0 HF2 PLM A 202 9.334 -10.844 -19.567 1.00 30.40 H new HETATM 0 HF1 PLM A 202 10.458 -9.704 -20.280 1.00 30.40 H new HETATM 0 HE2 PLM A 202 9.071 -8.284 -19.019 1.00 22.43 H new HETATM 0 HE1 PLM A 202 10.422 -8.523 -17.929 1.00 22.43 H new HETATM 0 HD2 PLM A 202 8.405 -10.625 -17.564 1.00 12.51 H new HETATM 0 HD1 PLM A 202 7.684 -9.036 -17.395 1.00 12.51 H new HETATM 0 HC2 PLM A 202 9.991 -8.704 -15.909 1.00 0.42 H new HETATM 0 HC1 PLM A 202 9.681 -10.409 -15.645 1.00 0.42 H new HETATM 0 HB2 PLM A 202 7.972 -9.827 -14.035 1.00 34.24 H new HETATM 0 HB1 PLM A 202 7.048 -9.049 -15.304 1.00 34.24 H new HETATM 0 HA2 PLM A 202 8.315 -6.939 -15.033 1.00 44.42 H new HETATM 0 HA1 PLM A 202 9.449 -7.703 -13.937 1.00 44.42 H new HETATM 0 H92 PLM A 202 7.972 -6.584 -12.464 1.00 51.43 H new HETATM 0 H91 PLM A 202 7.384 -8.235 -12.435 1.00 51.43 H new HETATM 0 H82 PLM A 202 5.725 -7.443 -14.317 1.00 51.45 H new HETATM 0 H81 PLM A 202 6.146 -5.823 -13.799 1.00 51.45 H new HETATM 0 H72 PLM A 202 5.088 -7.982 -11.913 1.00 32.51 H new HETATM 0 H71 PLM A 202 4.068 -6.789 -12.692 1.00 32.51 H new HETATM 0 H62 PLM A 202 6.288 -5.419 -11.417 1.00 64.43 H new HETATM 0 H61 PLM A 202 5.569 -6.516 -10.256 1.00 64.43 H new HETATM 0 H52 PLM A 202 4.115 -4.341 -11.835 1.00 2.30 H new HETATM 0 H51 PLM A 202 4.468 -4.319 -10.118 1.00 2.30 H new HETATM 0 H42 PLM A 202 2.585 -5.490 -9.642 1.00 44.01 H new HETATM 0 H41 PLM A 202 3.027 -6.764 -10.760 1.00 44.01 H new HETATM 0 H32 PLM A 202 2.104 -4.347 -12.170 1.00 32.23 H new HETATM 0 H31 PLM A 202 0.899 -4.935 -11.041 1.00 32.23 H new HETATM 0 H22 PLM A 202 0.224 -6.335 -12.739 1.00 5.04 H new HETATM 0 H21 PLM A 202 1.635 -7.301 -12.355 1.00 5.04 H new HETATM 0 H PLM A 202 0.681 -4.506 -14.051 1.00 73.20 H new