USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 910 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 LYS NZ :NH3+ 157:sc= 0.924 (180deg=0) USER MOD Set 1.2: B 739 SER OG : rot 70:sc= 0.801 USER MOD Set 2.1: A 60 ASN :FLIP amide:sc= -0.0304 X(o=-0.44,f=-0.03) USER MOD Set 2.2: A 94 GLN :FLIP amide:sc= 0 X(o=-0.46,f=-0.03) USER MOD Set 3.1: A 52 CYS SG : rot -60:sc= -6.71! USER MOD Set 3.2: A 59 MET CE :methyl 163:sc= -7.13! (180deg=-6.56!) USER MOD Set 4.1: A 32 SER OG : rot 42:sc= 0.0466 USER MOD Set 4.2: A 51 TYR OH : rot 30:sc= -0.758 USER MOD Set 4.3: A 55 GLN :FLIP amide:sc= -3.92! C(o=-7.2!,f=-4.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 1.12 (180deg=1.07) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -153:sc= 0.267 (180deg=-0.446) USER MOD Single : A 9 SER OG : rot -35:sc= 0.144 USER MOD Single : A 10 THR OG1 : rot 180:sc=0.000269 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= 0.996 (180deg=0.502) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= 1.01 (180deg=0.726) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -1.03 F(o=-4.9!,f=-1) USER MOD Single : A 31 SER OG : rot -50:sc= 1.32 USER MOD Single : A 35 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= 2.33 (180deg=2.16) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 1.52 (180deg=1.31!) USER MOD Single : A 40 MET CE :methyl 172:sc= -3.08! (180deg=-3.26!) USER MOD Single : A 41 THR OG1 : rot 60:sc= 0.165 USER MOD Single : A 42 THR OG1 : rot -120:sc= -2.69! USER MOD Single : A 43 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 142:sc= 1.35 (180deg=1.03) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 1.13 (180deg=1.13) USER MOD Single : A 50 SER OG : rot 57:sc= 0.166 USER MOD Single : A 53 GLN :FLIP amide:sc= -1.29 F(o=-3.7!,f=-1.3) USER MOD Single : A 61 SER OG : rot 84:sc= 0.573 USER MOD Single : A 69 GLN : amide:sc= -6! C(o=-6!,f=-5.6!) USER MOD Single : A 74 ASN :FLIP amide:sc= 0.0162 F(o=-3.7!,f=0.016) USER MOD Single : A 75 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-2.6!) USER MOD Single : A 76 THR OG1 : rot -130:sc= -0.469 USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 1.2 (180deg=0.844) USER MOD Single : A 82 MET CE :methyl -101:sc= -6.32! (180deg=-10.4!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0363 USER MOD Single : B 721 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 722 THR OG1 : rot 180:sc= 0 USER MOD Single : B 723 SER OG : rot 180:sc= 0 USER MOD Single : B 726 THR OG1 : rot 180:sc= 0 USER MOD Single : B 727 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 728 CYS SG : rot 180:sc= 0.0112 USER MOD Single : B 737 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.199 7.459 34.161 1.00 23.69 N ATOM 2 CA MET A 1 -17.973 7.791 32.941 1.00 23.15 C ATOM 3 C MET A 1 -17.607 9.179 32.432 1.00 22.30 C ATOM 4 O MET A 1 -17.967 9.559 31.323 1.00 21.95 O ATOM 5 CB MET A 1 -19.479 7.717 33.217 1.00 23.34 C ATOM 6 CG MET A 1 -19.976 8.749 34.220 1.00 23.82 C ATOM 7 SD MET A 1 -21.748 8.611 34.536 1.00 24.35 S ATOM 8 CE MET A 1 -21.980 9.942 35.713 1.00 24.62 C ATOM 0 H1 MET A 1 -17.438 6.496 34.472 1.00 23.69 H new ATOM 0 H2 MET A 1 -16.182 7.513 33.952 1.00 23.69 H new ATOM 0 H3 MET A 1 -17.434 8.135 34.916 1.00 23.69 H new ATOM 0 HA MET A 1 -17.721 7.058 32.174 1.00 23.15 H new ATOM 0 HB2 MET A 1 -20.017 7.849 32.278 1.00 23.34 H new ATOM 0 HB3 MET A 1 -19.722 6.720 33.586 1.00 23.34 H new ATOM 0 HG2 MET A 1 -19.433 8.630 35.158 1.00 23.82 H new ATOM 0 HG3 MET A 1 -19.754 9.749 33.847 1.00 23.82 H new ATOM 0 HE1 MET A 1 -23.028 9.988 36.008 1.00 24.62 H new ATOM 0 HE2 MET A 1 -21.363 9.761 36.593 1.00 24.62 H new ATOM 0 HE3 MET A 1 -21.690 10.888 35.255 1.00 24.62 H new ATOM 18 N SER A 2 -16.852 9.917 33.232 1.00 22.07 N ATOM 19 CA SER A 2 -16.447 11.267 32.871 1.00 21.38 C ATOM 20 C SER A 2 -15.000 11.231 32.392 1.00 20.96 C ATOM 21 O SER A 2 -14.332 12.254 32.262 1.00 20.50 O ATOM 22 CB SER A 2 -16.601 12.195 34.078 1.00 21.51 C ATOM 23 OG SER A 2 -17.908 12.107 34.622 1.00 22.01 O ATOM 0 H SER A 2 -16.506 9.602 34.139 1.00 22.07 H new ATOM 0 HA SER A 2 -17.079 11.650 32.070 1.00 21.38 H new ATOM 0 HB2 SER A 2 -15.867 11.932 34.840 1.00 21.51 H new ATOM 0 HB3 SER A 2 -16.396 13.223 33.780 1.00 21.51 H new ATOM 0 HG SER A 2 -17.982 12.707 35.393 1.00 22.01 H new ATOM 29 N ASP A 3 -14.546 10.022 32.111 1.00 21.23 N ATOM 30 CA ASP A 3 -13.147 9.762 31.804 1.00 21.04 C ATOM 31 C ASP A 3 -12.920 9.754 30.300 1.00 21.00 C ATOM 32 O ASP A 3 -11.791 9.873 29.827 1.00 20.71 O ATOM 33 CB ASP A 3 -12.746 8.406 32.388 1.00 21.47 C ATOM 34 CG ASP A 3 -13.270 8.202 33.795 1.00 21.77 C ATOM 35 OD1 ASP A 3 -14.485 7.927 33.953 1.00 22.30 O ATOM 36 OD2 ASP A 3 -12.474 8.307 34.753 1.00 21.57 O ATOM 0 H ASP A 3 -15.136 9.191 32.089 1.00 21.23 H new ATOM 0 HA ASP A 3 -12.538 10.552 32.243 1.00 21.04 H new ATOM 0 HB2 ASP A 3 -13.123 7.611 31.745 1.00 21.47 H new ATOM 0 HB3 ASP A 3 -11.659 8.323 32.393 1.00 21.47 H new ATOM 41 N GLN A 4 -14.006 9.627 29.556 1.00 21.39 N ATOM 42 CA GLN A 4 -13.939 9.524 28.102 1.00 21.53 C ATOM 43 C GLN A 4 -13.971 10.902 27.456 1.00 21.32 C ATOM 44 O GLN A 4 -13.973 11.024 26.231 1.00 21.35 O ATOM 45 CB GLN A 4 -15.095 8.669 27.591 1.00 22.34 C ATOM 46 CG GLN A 4 -15.012 7.219 28.036 1.00 22.66 C ATOM 47 CD GLN A 4 -16.332 6.495 27.903 1.00 23.24 C ATOM 48 OE1 GLN A 4 -16.639 5.911 26.864 1.00 23.63 O ATOM 49 NE2 GLN A 4 -17.121 6.526 28.965 1.00 23.40 N ATOM 0 H GLN A 4 -14.952 9.592 29.935 1.00 21.39 H new ATOM 0 HA GLN A 4 -12.996 9.049 27.831 1.00 21.53 H new ATOM 0 HB2 GLN A 4 -16.035 9.096 27.940 1.00 22.34 H new ATOM 0 HB3 GLN A 4 -15.112 8.707 26.502 1.00 22.34 H new ATOM 0 HG2 GLN A 4 -14.257 6.703 27.443 1.00 22.66 H new ATOM 0 HG3 GLN A 4 -14.683 7.179 29.074 1.00 22.66 H new ATOM 0 HE21 GLN A 4 -16.826 7.023 29.806 1.00 23.40 H new ATOM 0 HE22 GLN A 4 -18.025 6.053 28.943 1.00 23.40 H new ATOM 58 N GLU A 5 -14.003 11.938 28.283 1.00 21.21 N ATOM 59 CA GLU A 5 -13.988 13.299 27.795 1.00 21.16 C ATOM 60 C GLU A 5 -12.605 13.647 27.246 1.00 20.14 C ATOM 61 O GLU A 5 -12.468 14.458 26.323 1.00 20.05 O ATOM 62 CB GLU A 5 -14.389 14.252 28.918 1.00 21.82 C ATOM 63 CG GLU A 5 -14.835 15.599 28.407 1.00 22.75 C ATOM 64 CD GLU A 5 -15.575 16.409 29.448 1.00 23.18 C ATOM 65 OE1 GLU A 5 -14.922 16.995 30.333 1.00 23.28 O ATOM 66 OE2 GLU A 5 -16.819 16.469 29.381 1.00 23.50 O ATOM 0 H GLU A 5 -14.040 11.855 29.299 1.00 21.21 H new ATOM 0 HA GLU A 5 -14.707 13.401 26.982 1.00 21.16 H new ATOM 0 HB2 GLU A 5 -15.195 13.804 29.499 1.00 21.82 H new ATOM 0 HB3 GLU A 5 -13.545 14.386 29.594 1.00 21.82 H new ATOM 0 HG2 GLU A 5 -13.964 16.160 28.069 1.00 22.75 H new ATOM 0 HG3 GLU A 5 -15.479 15.457 27.539 1.00 22.75 H new ATOM 73 N ALA A 6 -11.578 13.017 27.808 1.00 19.46 N ATOM 74 CA ALA A 6 -10.230 13.165 27.285 1.00 18.52 C ATOM 75 C ALA A 6 -10.062 12.301 26.042 1.00 17.92 C ATOM 76 O ALA A 6 -9.713 11.121 26.124 1.00 18.12 O ATOM 77 CB ALA A 6 -9.202 12.790 28.341 1.00 18.20 C ATOM 0 H ALA A 6 -11.655 12.404 28.620 1.00 19.46 H new ATOM 0 HA ALA A 6 -10.069 14.208 27.014 1.00 18.52 H new ATOM 0 HB1 ALA A 6 -8.199 12.907 27.930 1.00 18.20 H new ATOM 0 HB2 ALA A 6 -9.317 13.440 29.208 1.00 18.20 H new ATOM 0 HB3 ALA A 6 -9.352 11.753 28.642 1.00 18.20 H new ATOM 83 N LYS A 7 -10.324 12.904 24.897 1.00 17.33 N ATOM 84 CA LYS A 7 -10.166 12.232 23.620 1.00 16.82 C ATOM 85 C LYS A 7 -8.765 12.437 23.040 1.00 15.93 C ATOM 86 O LYS A 7 -8.099 13.433 23.322 1.00 15.33 O ATOM 87 CB LYS A 7 -11.264 12.672 22.630 1.00 16.60 C ATOM 88 CG LYS A 7 -11.747 14.117 22.768 1.00 16.97 C ATOM 89 CD LYS A 7 -10.674 15.130 22.401 1.00 17.70 C ATOM 90 CE LYS A 7 -9.976 15.676 23.634 1.00 18.30 C ATOM 91 NZ LYS A 7 -10.913 16.417 24.521 1.00 19.04 N ATOM 0 H LYS A 7 -10.650 13.868 24.826 1.00 17.33 H new ATOM 0 HA LYS A 7 -10.281 11.162 23.791 1.00 16.82 H new ATOM 0 HB2 LYS A 7 -10.890 12.529 21.616 1.00 16.60 H new ATOM 0 HB3 LYS A 7 -12.121 12.010 22.750 1.00 16.60 H new ATOM 0 HG2 LYS A 7 -12.617 14.268 22.129 1.00 16.97 H new ATOM 0 HG3 LYS A 7 -12.070 14.292 23.794 1.00 16.97 H new ATOM 0 HD2 LYS A 7 -9.941 14.662 21.744 1.00 17.70 H new ATOM 0 HD3 LYS A 7 -11.124 15.951 21.843 1.00 17.70 H new ATOM 0 HE2 LYS A 7 -9.524 14.854 24.189 1.00 18.30 H new ATOM 0 HE3 LYS A 7 -9.165 16.338 23.329 1.00 18.30 H new ATOM 0 HZ1 LYS A 7 -10.386 17.130 25.064 1.00 19.04 H new ATOM 0 HZ2 LYS A 7 -11.638 16.888 23.944 1.00 19.04 H new ATOM 0 HZ3 LYS A 7 -11.371 15.751 25.176 1.00 19.04 H new ATOM 105 N PRO A 8 -8.301 11.479 22.225 1.00 15.97 N ATOM 106 CA PRO A 8 -6.972 11.511 21.630 1.00 15.31 C ATOM 107 C PRO A 8 -6.933 12.348 20.359 1.00 14.44 C ATOM 108 O PRO A 8 -6.339 11.960 19.351 1.00 14.27 O ATOM 109 CB PRO A 8 -6.681 10.046 21.313 1.00 16.05 C ATOM 110 CG PRO A 8 -7.995 9.327 21.335 1.00 16.96 C ATOM 111 CD PRO A 8 -9.054 10.297 21.800 1.00 16.80 C ATOM 0 HA PRO A 8 -6.239 11.965 22.297 1.00 15.31 H new ATOM 0 HB2 PRO A 8 -6.204 9.949 20.338 1.00 16.05 H new ATOM 0 HB3 PRO A 8 -5.996 9.621 22.046 1.00 16.05 H new ATOM 0 HG2 PRO A 8 -8.237 8.946 20.343 1.00 16.96 H new ATOM 0 HG3 PRO A 8 -7.947 8.467 22.003 1.00 16.96 H new ATOM 0 HD2 PRO A 8 -9.753 10.537 20.999 1.00 16.80 H new ATOM 0 HD3 PRO A 8 -9.640 9.883 22.620 1.00 16.80 H new ATOM 119 N SER A 9 -7.560 13.506 20.423 1.00 14.02 N ATOM 120 CA SER A 9 -7.630 14.403 19.283 1.00 13.33 C ATOM 121 C SER A 9 -6.441 15.362 19.310 1.00 12.66 C ATOM 122 O SER A 9 -6.296 16.238 18.456 1.00 12.16 O ATOM 123 CB SER A 9 -8.957 15.166 19.307 1.00 13.64 C ATOM 124 OG SER A 9 -9.201 15.824 18.075 1.00 13.73 O ATOM 0 H SER A 9 -8.032 13.851 21.259 1.00 14.02 H new ATOM 0 HA SER A 9 -7.584 13.828 18.358 1.00 13.33 H new ATOM 0 HB2 SER A 9 -9.772 14.474 19.519 1.00 13.64 H new ATOM 0 HB3 SER A 9 -8.943 15.898 20.115 1.00 13.64 H new ATOM 0 HG SER A 9 -8.352 16.135 17.696 1.00 13.73 H new ATOM 130 N THR A 10 -5.583 15.177 20.305 1.00 12.84 N ATOM 131 CA THR A 10 -4.365 15.955 20.434 1.00 12.49 C ATOM 132 C THR A 10 -3.367 15.566 19.340 1.00 11.94 C ATOM 133 O THR A 10 -2.396 16.276 19.071 1.00 11.47 O ATOM 134 CB THR A 10 -3.729 15.714 21.813 1.00 13.21 C ATOM 135 OG1 THR A 10 -4.757 15.659 22.816 1.00 13.91 O ATOM 136 CG2 THR A 10 -2.740 16.814 22.152 1.00 13.47 C ATOM 0 H THR A 10 -5.714 14.484 21.042 1.00 12.84 H new ATOM 0 HA THR A 10 -4.617 17.010 20.330 1.00 12.49 H new ATOM 0 HB THR A 10 -3.192 14.766 21.786 1.00 13.21 H new ATOM 0 HG1 THR A 10 -4.350 15.504 23.694 1.00 13.91 H new ATOM 0 HG21 THR A 10 -2.303 16.621 23.132 1.00 13.47 H new ATOM 0 HG22 THR A 10 -1.950 16.837 21.401 1.00 13.47 H new ATOM 0 HG23 THR A 10 -3.255 17.775 22.167 1.00 13.47 H new ATOM 144 N GLU A 11 -3.632 14.435 18.707 1.00 12.19 N ATOM 145 CA GLU A 11 -2.761 13.893 17.676 1.00 11.97 C ATOM 146 C GLU A 11 -3.145 14.423 16.292 1.00 11.14 C ATOM 147 O GLU A 11 -2.551 14.041 15.280 1.00 11.00 O ATOM 148 CB GLU A 11 -2.852 12.368 17.691 1.00 13.04 C ATOM 149 CG GLU A 11 -2.588 11.771 19.063 1.00 13.94 C ATOM 150 CD GLU A 11 -1.115 11.685 19.407 1.00 14.51 C ATOM 151 OE1 GLU A 11 -0.481 12.738 19.596 1.00 14.88 O ATOM 152 OE2 GLU A 11 -0.587 10.555 19.500 1.00 14.71 O ATOM 0 H GLU A 11 -4.458 13.866 18.893 1.00 12.19 H new ATOM 0 HA GLU A 11 -1.738 14.207 17.884 1.00 11.97 H new ATOM 0 HB2 GLU A 11 -3.843 12.065 17.354 1.00 13.04 H new ATOM 0 HB3 GLU A 11 -2.135 11.960 16.979 1.00 13.04 H new ATOM 0 HG2 GLU A 11 -3.095 12.373 19.817 1.00 13.94 H new ATOM 0 HG3 GLU A 11 -3.023 10.772 19.107 1.00 13.94 H new ATOM 159 N ASP A 12 -4.145 15.297 16.249 1.00 10.76 N ATOM 160 CA ASP A 12 -4.635 15.841 14.983 1.00 10.14 C ATOM 161 C ASP A 12 -3.661 16.874 14.425 1.00 9.01 C ATOM 162 O ASP A 12 -3.320 16.849 13.240 1.00 8.48 O ATOM 163 CB ASP A 12 -6.018 16.471 15.163 1.00 10.63 C ATOM 164 CG ASP A 12 -6.614 16.934 13.850 1.00 11.09 C ATOM 165 OD1 ASP A 12 -7.185 16.091 13.123 1.00 11.37 O ATOM 166 OD2 ASP A 12 -6.525 18.140 13.541 1.00 11.38 O ATOM 0 H ASP A 12 -4.633 15.645 17.074 1.00 10.76 H new ATOM 0 HA ASP A 12 -4.715 15.017 14.274 1.00 10.14 H new ATOM 0 HB2 ASP A 12 -6.687 15.747 15.628 1.00 10.63 H new ATOM 0 HB3 ASP A 12 -5.943 17.319 15.844 1.00 10.63 H new ATOM 171 N LEU A 13 -3.223 17.782 15.287 1.00 8.84 N ATOM 172 CA LEU A 13 -2.200 18.759 14.931 1.00 7.95 C ATOM 173 C LEU A 13 -0.852 18.064 14.725 1.00 7.12 C ATOM 174 O LEU A 13 -0.767 16.839 14.829 1.00 7.51 O ATOM 175 CB LEU A 13 -2.129 19.867 15.993 1.00 8.51 C ATOM 176 CG LEU A 13 -2.153 19.403 17.452 1.00 9.12 C ATOM 177 CD1 LEU A 13 -0.819 18.812 17.856 1.00 9.39 C ATOM 178 CD2 LEU A 13 -2.527 20.557 18.369 1.00 9.90 C ATOM 0 H LEU A 13 -3.563 17.863 16.245 1.00 8.84 H new ATOM 0 HA LEU A 13 -2.466 19.234 13.987 1.00 7.95 H new ATOM 0 HB2 LEU A 13 -1.217 20.441 15.830 1.00 8.51 H new ATOM 0 HB3 LEU A 13 -2.966 20.548 15.835 1.00 8.51 H new ATOM 0 HG LEU A 13 -2.909 18.623 17.548 1.00 9.12 H new ATOM 0 HD11 LEU A 13 -0.864 18.491 18.897 1.00 9.39 H new ATOM 0 HD12 LEU A 13 -0.593 17.955 17.221 1.00 9.39 H new ATOM 0 HD13 LEU A 13 -0.038 19.564 17.742 1.00 9.39 H new ATOM 0 HD21 LEU A 13 -2.540 20.211 19.403 1.00 9.90 H new ATOM 0 HD22 LEU A 13 -1.795 21.358 18.263 1.00 9.90 H new ATOM 0 HD23 LEU A 13 -3.515 20.931 18.099 1.00 9.90 H new ATOM 190 N GLY A 14 0.202 18.819 14.449 1.00 6.21 N ATOM 191 CA GLY A 14 1.451 18.199 14.045 1.00 5.51 C ATOM 192 C GLY A 14 1.587 18.120 12.539 1.00 4.93 C ATOM 193 O GLY A 14 2.587 18.562 11.972 1.00 4.74 O ATOM 0 H GLY A 14 0.217 19.838 14.496 1.00 6.21 H new ATOM 0 HA2 GLY A 14 2.286 18.767 14.455 1.00 5.51 H new ATOM 0 HA3 GLY A 14 1.510 17.196 14.467 1.00 5.51 H new ATOM 197 N ASP A 15 0.574 17.553 11.897 1.00 5.09 N ATOM 198 CA ASP A 15 0.526 17.423 10.436 1.00 5.13 C ATOM 199 C ASP A 15 0.653 18.779 9.728 1.00 4.49 C ATOM 200 O ASP A 15 1.024 18.847 8.559 1.00 4.69 O ATOM 201 CB ASP A 15 -0.785 16.737 10.040 1.00 5.97 C ATOM 202 CG ASP A 15 -0.894 16.445 8.556 1.00 6.53 C ATOM 203 OD1 ASP A 15 -0.197 15.523 8.074 1.00 6.93 O ATOM 204 OD2 ASP A 15 -1.706 17.101 7.877 1.00 6.83 O ATOM 0 H ASP A 15 -0.243 17.167 12.371 1.00 5.09 H new ATOM 0 HA ASP A 15 1.377 16.820 10.119 1.00 5.13 H new ATOM 0 HB2 ASP A 15 -0.878 15.802 10.593 1.00 5.97 H new ATOM 0 HB3 ASP A 15 -1.621 17.369 10.340 1.00 5.97 H new ATOM 209 N LYS A 16 0.370 19.859 10.453 1.00 4.20 N ATOM 210 CA LYS A 16 0.410 21.205 9.880 1.00 4.16 C ATOM 211 C LYS A 16 1.778 21.862 10.074 1.00 3.46 C ATOM 212 O LYS A 16 1.922 23.064 9.839 1.00 3.74 O ATOM 213 CB LYS A 16 -0.660 22.097 10.515 1.00 4.88 C ATOM 214 CG LYS A 16 -2.075 21.552 10.417 1.00 5.72 C ATOM 215 CD LYS A 16 -3.089 22.564 10.936 1.00 6.55 C ATOM 216 CE LYS A 16 -3.172 23.783 10.028 1.00 7.29 C ATOM 217 NZ LYS A 16 -3.951 24.890 10.641 1.00 7.77 N ATOM 0 H LYS A 16 0.110 19.830 11.439 1.00 4.20 H new ATOM 0 HA LYS A 16 0.218 21.099 8.812 1.00 4.16 H new ATOM 0 HB2 LYS A 16 -0.414 22.246 11.566 1.00 4.88 H new ATOM 0 HB3 LYS A 16 -0.628 23.077 10.038 1.00 4.88 H new ATOM 0 HG2 LYS A 16 -2.302 21.304 9.380 1.00 5.72 H new ATOM 0 HG3 LYS A 16 -2.153 20.628 10.990 1.00 5.72 H new ATOM 0 HD2 LYS A 16 -4.070 22.094 11.008 1.00 6.55 H new ATOM 0 HD3 LYS A 16 -2.811 22.876 11.943 1.00 6.55 H new ATOM 0 HE2 LYS A 16 -2.165 24.133 9.800 1.00 7.29 H new ATOM 0 HE3 LYS A 16 -3.632 23.498 9.082 1.00 7.29 H new ATOM 0 HZ1 LYS A 16 -3.980 25.698 9.987 1.00 7.77 H new ATOM 0 HZ2 LYS A 16 -4.920 24.566 10.835 1.00 7.77 H new ATOM 0 HZ3 LYS A 16 -3.499 25.182 11.531 1.00 7.77 H new ATOM 231 N LYS A 17 2.764 21.079 10.515 1.00 2.93 N ATOM 232 CA LYS A 17 4.097 21.601 10.842 1.00 2.61 C ATOM 233 C LYS A 17 4.680 22.441 9.707 1.00 2.32 C ATOM 234 O LYS A 17 5.107 23.575 9.916 1.00 2.80 O ATOM 235 CB LYS A 17 5.043 20.451 11.209 1.00 2.77 C ATOM 236 CG LYS A 17 5.607 19.705 10.022 1.00 3.05 C ATOM 237 CD LYS A 17 6.823 18.870 10.391 1.00 3.51 C ATOM 238 CE LYS A 17 7.994 19.743 10.814 1.00 3.23 C ATOM 239 NZ LYS A 17 9.155 18.934 11.266 1.00 3.83 N ATOM 0 H LYS A 17 2.665 20.074 10.656 1.00 2.93 H new ATOM 0 HA LYS A 17 3.989 22.260 11.704 1.00 2.61 H new ATOM 0 HB2 LYS A 17 5.869 20.850 11.798 1.00 2.77 H new ATOM 0 HB3 LYS A 17 4.509 19.746 11.846 1.00 2.77 H new ATOM 0 HG2 LYS A 17 4.837 19.057 9.604 1.00 3.05 H new ATOM 0 HG3 LYS A 17 5.881 20.418 9.244 1.00 3.05 H new ATOM 0 HD2 LYS A 17 6.565 18.189 11.202 1.00 3.51 H new ATOM 0 HD3 LYS A 17 7.115 18.256 9.539 1.00 3.51 H new ATOM 0 HE2 LYS A 17 8.296 20.375 9.979 1.00 3.23 H new ATOM 0 HE3 LYS A 17 7.679 20.407 11.619 1.00 3.23 H new ATOM 0 HZ1 LYS A 17 10.003 19.534 11.302 1.00 3.83 H new ATOM 0 HZ2 LYS A 17 8.963 18.549 12.213 1.00 3.83 H new ATOM 0 HZ3 LYS A 17 9.313 18.151 10.600 1.00 3.83 H new ATOM 253 N GLU A 18 4.684 21.875 8.518 1.00 1.92 N ATOM 254 CA GLU A 18 5.210 22.549 7.337 1.00 1.92 C ATOM 255 C GLU A 18 4.342 22.232 6.129 1.00 1.51 C ATOM 256 O GLU A 18 3.225 21.735 6.275 1.00 1.60 O ATOM 257 CB GLU A 18 6.656 22.113 7.047 1.00 2.31 C ATOM 258 CG GLU A 18 7.646 22.436 8.154 1.00 2.92 C ATOM 259 CD GLU A 18 9.077 22.200 7.722 1.00 3.74 C ATOM 260 OE1 GLU A 18 9.375 21.102 7.205 1.00 4.37 O ATOM 261 OE2 GLU A 18 9.917 23.099 7.909 1.00 4.12 O ATOM 0 H GLU A 18 4.325 20.937 8.337 1.00 1.92 H new ATOM 0 HA GLU A 18 5.200 23.622 7.531 1.00 1.92 H new ATOM 0 HB2 GLU A 18 6.669 21.038 6.868 1.00 2.31 H new ATOM 0 HB3 GLU A 18 6.989 22.594 6.127 1.00 2.31 H new ATOM 0 HG2 GLU A 18 7.525 23.476 8.456 1.00 2.92 H new ATOM 0 HG3 GLU A 18 7.425 21.823 9.028 1.00 2.92 H new ATOM 268 N GLY A 19 4.848 22.547 4.946 1.00 1.76 N ATOM 269 CA GLY A 19 4.178 22.152 3.725 1.00 1.75 C ATOM 270 C GLY A 19 4.370 20.674 3.424 1.00 1.41 C ATOM 271 O GLY A 19 4.228 19.820 4.304 1.00 1.51 O ATOM 0 H GLY A 19 5.713 23.070 4.810 1.00 1.76 H new ATOM 0 HA2 GLY A 19 3.113 22.370 3.809 1.00 1.75 H new ATOM 0 HA3 GLY A 19 4.560 22.744 2.894 1.00 1.75 H new ATOM 275 N GLU A 20 4.699 20.366 2.186 1.00 1.32 N ATOM 276 CA GLU A 20 4.897 18.990 1.781 1.00 1.19 C ATOM 277 C GLU A 20 6.352 18.731 1.430 1.00 0.95 C ATOM 278 O GLU A 20 7.103 19.645 1.077 1.00 1.16 O ATOM 279 CB GLU A 20 4.010 18.652 0.580 1.00 1.68 C ATOM 280 CG GLU A 20 4.401 19.371 -0.705 1.00 2.62 C ATOM 281 CD GLU A 20 3.958 20.818 -0.734 1.00 3.39 C ATOM 282 OE1 GLU A 20 4.670 21.664 -0.151 1.00 3.82 O ATOM 283 OE2 GLU A 20 2.905 21.119 -1.331 1.00 3.98 O ATOM 0 H GLU A 20 4.835 21.051 1.443 1.00 1.32 H new ATOM 0 HA GLU A 20 4.621 18.352 2.621 1.00 1.19 H new ATOM 0 HB2 GLU A 20 4.046 17.576 0.407 1.00 1.68 H new ATOM 0 HB3 GLU A 20 2.977 18.901 0.823 1.00 1.68 H new ATOM 0 HG2 GLU A 20 5.484 19.326 -0.824 1.00 2.62 H new ATOM 0 HG3 GLU A 20 3.965 18.847 -1.555 1.00 2.62 H new ATOM 290 N TYR A 21 6.751 17.481 1.562 1.00 0.69 N ATOM 291 CA TYR A 21 8.065 17.054 1.125 1.00 0.47 C ATOM 292 C TYR A 21 7.945 16.453 -0.267 1.00 0.30 C ATOM 293 O TYR A 21 6.873 16.475 -0.870 1.00 0.33 O ATOM 294 CB TYR A 21 8.638 16.016 2.099 1.00 0.51 C ATOM 295 CG TYR A 21 8.241 16.258 3.539 1.00 0.49 C ATOM 296 CD1 TYR A 21 8.435 17.495 4.139 1.00 1.13 C ATOM 297 CD2 TYR A 21 7.657 15.249 4.290 1.00 1.23 C ATOM 298 CE1 TYR A 21 8.053 17.719 5.448 1.00 1.36 C ATOM 299 CE2 TYR A 21 7.275 15.463 5.598 1.00 1.60 C ATOM 300 CZ TYR A 21 7.476 16.700 6.174 1.00 1.34 C ATOM 301 OH TYR A 21 7.093 16.921 7.479 1.00 1.85 O ATOM 0 H TYR A 21 6.181 16.741 1.970 1.00 0.69 H new ATOM 0 HA TYR A 21 8.739 17.910 1.102 1.00 0.47 H new ATOM 0 HB2 TYR A 21 8.302 15.023 1.799 1.00 0.51 H new ATOM 0 HB3 TYR A 21 9.725 16.020 2.024 1.00 0.51 H new ATOM 0 HD1 TYR A 21 8.891 18.294 3.574 1.00 1.13 H new ATOM 0 HD2 TYR A 21 7.499 14.279 3.843 1.00 1.23 H new ATOM 0 HE1 TYR A 21 8.206 18.688 5.900 1.00 1.36 H new ATOM 0 HE2 TYR A 21 6.821 14.666 6.168 1.00 1.60 H new ATOM 0 HH TYR A 21 6.702 16.102 7.848 1.00 1.85 H new ATOM 311 N ILE A 22 9.026 15.896 -0.758 1.00 0.23 N ATOM 312 CA ILE A 22 9.022 15.280 -2.071 1.00 0.18 C ATOM 313 C ILE A 22 9.500 13.843 -1.978 1.00 0.16 C ATOM 314 O ILE A 22 10.357 13.497 -1.168 1.00 0.19 O ATOM 315 CB ILE A 22 9.876 16.083 -3.080 1.00 0.21 C ATOM 316 CG1 ILE A 22 11.317 16.217 -2.598 1.00 0.29 C ATOM 317 CG2 ILE A 22 9.273 17.459 -3.318 1.00 0.26 C ATOM 318 CD1 ILE A 22 12.232 15.165 -3.172 1.00 0.40 C ATOM 0 H ILE A 22 9.921 15.855 -0.271 1.00 0.23 H new ATOM 0 HA ILE A 22 7.997 15.284 -2.441 1.00 0.18 H new ATOM 0 HB ILE A 22 9.881 15.534 -4.022 1.00 0.21 H new ATOM 0 HG12 ILE A 22 11.694 17.204 -2.867 1.00 0.29 H new ATOM 0 HG13 ILE A 22 11.337 16.154 -1.510 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.889 18.008 -4.031 1.00 0.26 H new ATOM 0 HG22 ILE A 22 8.265 17.350 -3.718 1.00 0.26 H new ATOM 0 HG23 ILE A 22 9.233 18.006 -2.376 1.00 0.26 H new ATOM 0 HD11 ILE A 22 13.242 15.314 -2.791 1.00 0.40 H new ATOM 0 HD12 ILE A 22 11.877 14.176 -2.881 1.00 0.40 H new ATOM 0 HD13 ILE A 22 12.239 15.243 -4.259 1.00 0.40 H new ATOM 330 N LYS A 23 8.905 13.017 -2.805 1.00 0.17 N ATOM 331 CA LYS A 23 9.092 11.585 -2.750 1.00 0.20 C ATOM 332 C LYS A 23 9.999 11.128 -3.876 1.00 0.18 C ATOM 333 O LYS A 23 9.985 11.700 -4.944 1.00 0.28 O ATOM 334 CB LYS A 23 7.745 10.880 -2.851 1.00 0.32 C ATOM 335 CG LYS A 23 7.825 9.370 -2.716 1.00 0.32 C ATOM 336 CD LYS A 23 6.916 8.698 -3.724 1.00 0.49 C ATOM 337 CE LYS A 23 5.449 9.052 -3.480 1.00 0.88 C ATOM 338 NZ LYS A 23 4.548 8.535 -4.547 1.00 1.17 N ATOM 0 H LYS A 23 8.271 13.322 -3.543 1.00 0.17 H new ATOM 0 HA LYS A 23 9.559 11.330 -1.798 1.00 0.20 H new ATOM 0 HB2 LYS A 23 7.084 11.269 -2.076 1.00 0.32 H new ATOM 0 HB3 LYS A 23 7.290 11.125 -3.811 1.00 0.32 H new ATOM 0 HG2 LYS A 23 8.853 9.039 -2.867 1.00 0.32 H new ATOM 0 HG3 LYS A 23 7.540 9.074 -1.706 1.00 0.32 H new ATOM 0 HD2 LYS A 23 7.202 9.001 -4.731 1.00 0.49 H new ATOM 0 HD3 LYS A 23 7.045 7.617 -3.667 1.00 0.49 H new ATOM 0 HE2 LYS A 23 5.137 8.646 -2.518 1.00 0.88 H new ATOM 0 HE3 LYS A 23 5.347 10.135 -3.417 1.00 0.88 H new ATOM 0 HZ1 LYS A 23 3.562 8.574 -4.218 1.00 1.17 H new ATOM 0 HZ2 LYS A 23 4.651 9.119 -5.401 1.00 1.17 H new ATOM 0 HZ3 LYS A 23 4.801 7.551 -4.768 1.00 1.17 H new ATOM 352 N LEU A 24 10.847 10.169 -3.617 1.00 0.18 N ATOM 353 CA LEU A 24 11.605 9.552 -4.687 1.00 0.17 C ATOM 354 C LEU A 24 11.281 8.070 -4.739 1.00 0.20 C ATOM 355 O LEU A 24 10.918 7.465 -3.727 1.00 0.29 O ATOM 356 CB LEU A 24 13.124 9.743 -4.551 1.00 0.20 C ATOM 357 CG LEU A 24 13.646 11.188 -4.460 1.00 0.21 C ATOM 358 CD1 LEU A 24 13.085 12.047 -5.588 1.00 0.19 C ATOM 359 CD2 LEU A 24 13.344 11.802 -3.098 1.00 0.24 C ATOM 0 H LEU A 24 11.034 9.797 -2.686 1.00 0.18 H new ATOM 0 HA LEU A 24 11.311 10.049 -5.611 1.00 0.17 H new ATOM 0 HB2 LEU A 24 13.453 9.208 -3.660 1.00 0.20 H new ATOM 0 HB3 LEU A 24 13.602 9.264 -5.405 1.00 0.20 H new ATOM 0 HG LEU A 24 14.730 11.155 -4.573 1.00 0.21 H new ATOM 0 HD11 LEU A 24 13.471 13.063 -5.498 1.00 0.19 H new ATOM 0 HD12 LEU A 24 13.386 11.628 -6.548 1.00 0.19 H new ATOM 0 HD13 LEU A 24 11.997 12.065 -5.525 1.00 0.19 H new ATOM 0 HD21 LEU A 24 13.726 12.823 -3.066 1.00 0.24 H new ATOM 0 HD22 LEU A 24 12.266 11.812 -2.934 1.00 0.24 H new ATOM 0 HD23 LEU A 24 13.824 11.211 -2.318 1.00 0.24 H new ATOM 371 N LYS A 25 11.381 7.506 -5.921 1.00 0.15 N ATOM 372 CA LYS A 25 11.149 6.093 -6.121 1.00 0.16 C ATOM 373 C LYS A 25 12.498 5.392 -6.163 1.00 0.12 C ATOM 374 O LYS A 25 13.197 5.460 -7.166 1.00 0.13 O ATOM 375 CB LYS A 25 10.408 5.906 -7.451 1.00 0.22 C ATOM 376 CG LYS A 25 9.491 4.696 -7.523 1.00 0.70 C ATOM 377 CD LYS A 25 10.227 3.403 -7.245 1.00 0.48 C ATOM 378 CE LYS A 25 9.494 2.207 -7.833 1.00 0.52 C ATOM 379 NZ LYS A 25 8.162 1.992 -7.215 1.00 1.11 N ATOM 0 H LYS A 25 11.625 8.014 -6.771 1.00 0.15 H new ATOM 0 HA LYS A 25 10.548 5.673 -5.315 1.00 0.16 H new ATOM 0 HB2 LYS A 25 9.817 6.801 -7.647 1.00 0.22 H new ATOM 0 HB3 LYS A 25 11.145 5.830 -8.250 1.00 0.22 H new ATOM 0 HG2 LYS A 25 8.681 4.813 -6.803 1.00 0.70 H new ATOM 0 HG3 LYS A 25 9.034 4.647 -8.511 1.00 0.70 H new ATOM 0 HD2 LYS A 25 11.232 3.458 -7.664 1.00 0.48 H new ATOM 0 HD3 LYS A 25 10.338 3.270 -6.169 1.00 0.48 H new ATOM 0 HE2 LYS A 25 9.373 2.352 -8.907 1.00 0.52 H new ATOM 0 HE3 LYS A 25 10.101 1.312 -7.699 1.00 0.52 H new ATOM 0 HZ1 LYS A 25 7.706 1.166 -7.652 1.00 1.11 H new ATOM 0 HZ2 LYS A 25 8.275 1.826 -6.195 1.00 1.11 H new ATOM 0 HZ3 LYS A 25 7.570 2.834 -7.365 1.00 1.11 H new ATOM 393 N VAL A 26 12.857 4.696 -5.095 1.00 0.13 N ATOM 394 CA VAL A 26 14.169 4.073 -5.038 1.00 0.13 C ATOM 395 C VAL A 26 14.092 2.641 -5.549 1.00 0.13 C ATOM 396 O VAL A 26 13.263 1.851 -5.103 1.00 0.16 O ATOM 397 CB VAL A 26 14.797 4.127 -3.615 1.00 0.18 C ATOM 398 CG1 VAL A 26 14.270 3.039 -2.695 1.00 0.42 C ATOM 399 CG2 VAL A 26 16.311 4.061 -3.701 1.00 0.36 C ATOM 0 H VAL A 26 12.272 4.550 -4.272 1.00 0.13 H new ATOM 0 HA VAL A 26 14.830 4.647 -5.687 1.00 0.13 H new ATOM 0 HB VAL A 26 14.501 5.080 -3.177 1.00 0.18 H new ATOM 0 HG11 VAL A 26 14.744 3.128 -1.718 1.00 0.42 H new ATOM 0 HG12 VAL A 26 13.191 3.146 -2.586 1.00 0.42 H new ATOM 0 HG13 VAL A 26 14.496 2.061 -3.121 1.00 0.42 H new ATOM 0 HG21 VAL A 26 16.734 4.100 -2.697 1.00 0.36 H new ATOM 0 HG22 VAL A 26 16.608 3.130 -4.184 1.00 0.36 H new ATOM 0 HG23 VAL A 26 16.680 4.906 -4.283 1.00 0.36 H new ATOM 409 N ILE A 27 14.913 2.330 -6.533 1.00 0.12 N ATOM 410 CA ILE A 27 14.966 0.993 -7.089 1.00 0.14 C ATOM 411 C ILE A 27 16.190 0.272 -6.553 1.00 0.16 C ATOM 412 O ILE A 27 17.312 0.726 -6.758 1.00 0.21 O ATOM 413 CB ILE A 27 15.081 1.010 -8.622 1.00 0.17 C ATOM 414 CG1 ILE A 27 14.115 2.023 -9.248 1.00 0.19 C ATOM 415 CG2 ILE A 27 14.823 -0.386 -9.160 1.00 0.21 C ATOM 416 CD1 ILE A 27 12.659 1.672 -9.058 1.00 0.23 C ATOM 0 H ILE A 27 15.557 2.991 -6.966 1.00 0.12 H new ATOM 0 HA ILE A 27 14.042 0.491 -6.804 1.00 0.14 H new ATOM 0 HB ILE A 27 16.090 1.321 -8.892 1.00 0.17 H new ATOM 0 HG12 ILE A 27 14.302 3.006 -8.815 1.00 0.19 H new ATOM 0 HG13 ILE A 27 14.325 2.100 -10.315 1.00 0.19 H new ATOM 0 HG21 ILE A 27 14.904 -0.378 -10.247 1.00 0.21 H new ATOM 0 HG22 ILE A 27 15.558 -1.077 -8.747 1.00 0.21 H new ATOM 0 HG23 ILE A 27 13.822 -0.707 -8.873 1.00 0.21 H new ATOM 0 HD11 ILE A 27 12.037 2.434 -9.527 1.00 0.23 H new ATOM 0 HD12 ILE A 27 12.455 0.704 -9.516 1.00 0.23 H new ATOM 0 HD13 ILE A 27 12.432 1.624 -7.993 1.00 0.23 H new ATOM 428 N GLY A 28 15.985 -0.835 -5.874 1.00 0.20 N ATOM 429 CA GLY A 28 17.101 -1.596 -5.368 1.00 0.24 C ATOM 430 C GLY A 28 17.570 -2.638 -6.359 1.00 0.26 C ATOM 431 O GLY A 28 16.808 -3.053 -7.237 1.00 0.27 O ATOM 0 H GLY A 28 15.066 -1.223 -5.662 1.00 0.20 H new ATOM 0 HA2 GLY A 28 17.924 -0.921 -5.134 1.00 0.24 H new ATOM 0 HA3 GLY A 28 16.815 -2.084 -4.436 1.00 0.24 H new ATOM 435 N GLN A 29 18.813 -3.084 -6.214 1.00 0.28 N ATOM 436 CA GLN A 29 19.384 -4.069 -7.129 1.00 0.33 C ATOM 437 C GLN A 29 18.792 -5.457 -6.899 1.00 0.43 C ATOM 438 O GLN A 29 19.083 -6.396 -7.633 1.00 0.56 O ATOM 439 CB GLN A 29 20.907 -4.108 -6.999 1.00 0.34 C ATOM 440 CG GLN A 29 21.602 -3.018 -7.794 1.00 0.40 C ATOM 441 CD GLN A 29 23.105 -3.016 -7.608 1.00 0.34 C ATOM 442 OE1 GLN A 29 23.595 -2.189 -6.696 1.00 0.63 O flip ATOM 443 NE2 GLN A 29 23.828 -3.718 -8.310 1.00 0.21 N flip ATOM 0 H GLN A 29 19.445 -2.780 -5.473 1.00 0.28 H new ATOM 0 HA GLN A 29 19.128 -3.763 -8.143 1.00 0.33 H new ATOM 0 HB2 GLN A 29 21.178 -4.011 -5.948 1.00 0.34 H new ATOM 0 HB3 GLN A 29 21.269 -5.080 -7.334 1.00 0.34 H new ATOM 0 HG2 GLN A 29 21.373 -3.145 -8.852 1.00 0.40 H new ATOM 0 HG3 GLN A 29 21.203 -2.048 -7.496 1.00 0.40 H new ATOM 0 HE21 GLN A 29 23.415 -4.343 -9.002 1.00 0.21 H new ATOM 0 HE22 GLN A 29 24.841 -3.676 -8.201 1.00 0.21 H new ATOM 452 N ASP A 30 17.951 -5.575 -5.883 1.00 0.46 N ATOM 453 CA ASP A 30 17.267 -6.832 -5.608 1.00 0.58 C ATOM 454 C ASP A 30 15.826 -6.754 -6.077 1.00 0.50 C ATOM 455 O ASP A 30 14.999 -7.575 -5.683 1.00 0.55 O ATOM 456 CB ASP A 30 17.262 -7.134 -4.117 1.00 0.75 C ATOM 457 CG ASP A 30 17.597 -8.582 -3.809 1.00 1.50 C ATOM 458 OD1 ASP A 30 16.741 -9.458 -4.062 1.00 1.88 O ATOM 459 OD2 ASP A 30 18.714 -8.855 -3.315 1.00 2.12 O ATOM 0 H ASP A 30 17.725 -4.819 -5.236 1.00 0.46 H new ATOM 0 HA ASP A 30 17.800 -7.620 -6.139 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.981 -6.485 -3.617 1.00 0.75 H new ATOM 0 HB3 ASP A 30 16.280 -6.898 -3.706 1.00 0.75 H new ATOM 464 N SER A 31 15.529 -5.733 -6.886 1.00 0.44 N ATOM 465 CA SER A 31 14.181 -5.477 -7.408 1.00 0.45 C ATOM 466 C SER A 31 13.255 -4.958 -6.308 1.00 0.45 C ATOM 467 O SER A 31 12.067 -4.726 -6.535 1.00 0.54 O ATOM 468 CB SER A 31 13.596 -6.731 -8.071 1.00 0.53 C ATOM 469 OG SER A 31 12.931 -7.572 -7.139 1.00 1.48 O ATOM 0 H SER A 31 16.222 -5.054 -7.200 1.00 0.44 H new ATOM 0 HA SER A 31 14.263 -4.703 -8.171 1.00 0.45 H new ATOM 0 HB2 SER A 31 12.897 -6.434 -8.852 1.00 0.53 H new ATOM 0 HB3 SER A 31 14.396 -7.290 -8.555 1.00 0.53 H new ATOM 0 HG SER A 31 13.514 -7.731 -6.368 1.00 1.48 H new ATOM 475 N SER A 32 13.812 -4.793 -5.119 1.00 0.47 N ATOM 476 CA SER A 32 13.103 -4.190 -4.010 1.00 0.51 C ATOM 477 C SER A 32 13.125 -2.676 -4.164 1.00 0.41 C ATOM 478 O SER A 32 14.189 -2.083 -4.306 1.00 0.50 O ATOM 479 CB SER A 32 13.764 -4.618 -2.700 1.00 0.65 C ATOM 480 OG SER A 32 15.181 -4.632 -2.831 1.00 1.32 O ATOM 0 H SER A 32 14.768 -5.074 -4.899 1.00 0.47 H new ATOM 0 HA SER A 32 12.064 -4.521 -3.999 1.00 0.51 H new ATOM 0 HB2 SER A 32 13.475 -3.935 -1.901 1.00 0.65 H new ATOM 0 HB3 SER A 32 13.411 -5.609 -2.416 1.00 0.65 H new ATOM 0 HG SER A 32 15.471 -3.841 -3.331 1.00 1.32 H new ATOM 486 N GLU A 33 11.965 -2.048 -4.148 1.00 0.29 N ATOM 487 CA GLU A 33 11.883 -0.628 -4.427 1.00 0.25 C ATOM 488 C GLU A 33 11.006 0.075 -3.385 1.00 0.20 C ATOM 489 O GLU A 33 9.999 -0.472 -2.937 1.00 0.28 O ATOM 490 CB GLU A 33 11.360 -0.402 -5.848 1.00 0.36 C ATOM 491 CG GLU A 33 9.894 -0.736 -6.067 1.00 0.66 C ATOM 492 CD GLU A 33 9.553 -2.215 -5.955 1.00 1.18 C ATOM 493 OE1 GLU A 33 9.480 -2.721 -4.818 1.00 1.70 O ATOM 494 OE2 GLU A 33 9.399 -2.889 -7.000 1.00 1.62 O ATOM 0 H GLU A 33 11.071 -2.496 -3.946 1.00 0.29 H new ATOM 0 HA GLU A 33 12.881 -0.194 -4.362 1.00 0.25 H new ATOM 0 HB2 GLU A 33 11.520 0.643 -6.113 1.00 0.36 H new ATOM 0 HB3 GLU A 33 11.958 -1.000 -6.536 1.00 0.36 H new ATOM 0 HG2 GLU A 33 9.298 -0.184 -5.341 1.00 0.66 H new ATOM 0 HG3 GLU A 33 9.599 -0.383 -7.055 1.00 0.66 H new ATOM 501 N ILE A 34 11.395 1.283 -2.990 1.00 0.18 N ATOM 502 CA ILE A 34 10.749 1.970 -1.870 1.00 0.18 C ATOM 503 C ILE A 34 10.487 3.442 -2.200 1.00 0.22 C ATOM 504 O ILE A 34 11.269 4.075 -2.907 1.00 0.29 O ATOM 505 CB ILE A 34 11.605 1.917 -0.573 1.00 0.29 C ATOM 506 CG1 ILE A 34 12.054 0.497 -0.222 1.00 0.73 C ATOM 507 CG2 ILE A 34 10.826 2.494 0.599 1.00 1.07 C ATOM 508 CD1 ILE A 34 13.283 0.020 -0.969 1.00 0.26 C ATOM 0 H ILE A 34 12.153 1.808 -3.426 1.00 0.18 H new ATOM 0 HA ILE A 34 9.809 1.445 -1.702 1.00 0.18 H new ATOM 0 HB ILE A 34 12.497 2.514 -0.765 1.00 0.29 H new ATOM 0 HG12 ILE A 34 12.254 0.448 0.848 1.00 0.73 H new ATOM 0 HG13 ILE A 34 11.232 -0.190 -0.425 1.00 0.73 H new ATOM 0 HG21 ILE A 34 11.438 2.450 1.500 1.00 1.07 H new ATOM 0 HG22 ILE A 34 10.566 3.531 0.388 1.00 1.07 H new ATOM 0 HG23 ILE A 34 9.915 1.915 0.751 1.00 1.07 H new ATOM 0 HD11 ILE A 34 13.527 -0.995 -0.657 1.00 0.26 H new ATOM 0 HD12 ILE A 34 13.085 0.032 -2.041 1.00 0.26 H new ATOM 0 HD13 ILE A 34 14.122 0.680 -0.748 1.00 0.26 H new ATOM 520 N HIS A 35 9.365 3.964 -1.719 1.00 0.24 N ATOM 521 CA HIS A 35 9.086 5.394 -1.799 1.00 0.28 C ATOM 522 C HIS A 35 9.828 6.110 -0.670 1.00 0.26 C ATOM 523 O HIS A 35 9.903 5.592 0.444 1.00 0.42 O ATOM 524 CB HIS A 35 7.584 5.672 -1.658 1.00 0.38 C ATOM 525 CG HIS A 35 6.706 4.899 -2.591 1.00 0.51 C ATOM 526 ND1 HIS A 35 5.375 4.666 -2.331 1.00 0.76 N ATOM 527 CD2 HIS A 35 6.961 4.306 -3.782 1.00 0.62 C ATOM 528 CE1 HIS A 35 4.850 3.966 -3.314 1.00 0.90 C ATOM 529 NE2 HIS A 35 5.789 3.732 -4.211 1.00 0.79 N ATOM 0 H HIS A 35 8.631 3.417 -1.268 1.00 0.24 H new ATOM 0 HA HIS A 35 9.419 5.757 -2.771 1.00 0.28 H new ATOM 0 HB2 HIS A 35 7.284 5.451 -0.634 1.00 0.38 H new ATOM 0 HB3 HIS A 35 7.410 6.736 -1.818 1.00 0.38 H new ATOM 0 HD2 HIS A 35 7.909 4.288 -4.298 1.00 0.62 H new ATOM 0 HE1 HIS A 35 3.823 3.638 -3.376 1.00 0.90 H new ATOM 0 HE2 HIS A 35 5.665 3.211 -5.079 1.00 0.79 H new ATOM 538 N PHE A 36 10.330 7.310 -0.929 1.00 0.28 N ATOM 539 CA PHE A 36 11.113 8.047 0.062 1.00 0.23 C ATOM 540 C PHE A 36 10.660 9.500 0.078 1.00 0.21 C ATOM 541 O PHE A 36 10.649 10.143 -0.956 1.00 0.27 O ATOM 542 CB PHE A 36 12.606 7.994 -0.287 1.00 0.34 C ATOM 543 CG PHE A 36 13.343 6.803 0.258 1.00 0.27 C ATOM 544 CD1 PHE A 36 13.050 5.515 -0.166 1.00 0.40 C ATOM 545 CD2 PHE A 36 14.343 6.981 1.199 1.00 0.42 C ATOM 546 CE1 PHE A 36 13.742 4.433 0.342 1.00 0.46 C ATOM 547 CE2 PHE A 36 15.035 5.901 1.704 1.00 0.46 C ATOM 548 CZ PHE A 36 14.735 4.626 1.275 1.00 0.40 C ATOM 0 H PHE A 36 10.210 7.797 -1.817 1.00 0.28 H new ATOM 0 HA PHE A 36 10.960 7.592 1.041 1.00 0.23 H new ATOM 0 HB2 PHE A 36 12.711 8.002 -1.372 1.00 0.34 H new ATOM 0 HB3 PHE A 36 13.084 8.900 0.086 1.00 0.34 H new ATOM 0 HD1 PHE A 36 12.274 5.357 -0.900 1.00 0.40 H new ATOM 0 HD2 PHE A 36 14.583 7.977 1.541 1.00 0.42 H new ATOM 0 HE1 PHE A 36 13.504 3.434 0.007 1.00 0.46 H new ATOM 0 HE2 PHE A 36 15.813 6.054 2.437 1.00 0.46 H new ATOM 0 HZ PHE A 36 15.278 3.780 1.670 1.00 0.40 H new ATOM 558 N LYS A 37 10.303 10.020 1.242 1.00 0.20 N ATOM 559 CA LYS A 37 9.849 11.404 1.342 1.00 0.21 C ATOM 560 C LYS A 37 10.879 12.280 2.036 1.00 0.21 C ATOM 561 O LYS A 37 11.008 12.272 3.260 1.00 0.26 O ATOM 562 CB LYS A 37 8.496 11.481 2.056 1.00 0.27 C ATOM 563 CG LYS A 37 7.318 11.555 1.100 1.00 0.32 C ATOM 564 CD LYS A 37 6.943 12.998 0.780 1.00 0.37 C ATOM 565 CE LYS A 37 6.075 13.091 -0.465 1.00 0.36 C ATOM 566 NZ LYS A 37 5.289 14.353 -0.523 1.00 0.96 N ATOM 0 H LYS A 37 10.317 9.512 2.126 1.00 0.20 H new ATOM 0 HA LYS A 37 9.724 11.785 0.329 1.00 0.21 H new ATOM 0 HB2 LYS A 37 8.381 10.607 2.697 1.00 0.27 H new ATOM 0 HB3 LYS A 37 8.484 12.357 2.705 1.00 0.27 H new ATOM 0 HG2 LYS A 37 7.564 11.030 0.177 1.00 0.32 H new ATOM 0 HG3 LYS A 37 6.461 11.045 1.538 1.00 0.32 H new ATOM 0 HD2 LYS A 37 6.412 13.432 1.627 1.00 0.37 H new ATOM 0 HD3 LYS A 37 7.849 13.586 0.636 1.00 0.37 H new ATOM 0 HE2 LYS A 37 6.707 13.020 -1.350 1.00 0.36 H new ATOM 0 HE3 LYS A 37 5.393 12.241 -0.492 1.00 0.36 H new ATOM 0 HZ1 LYS A 37 4.835 14.437 -1.455 1.00 0.96 H new ATOM 0 HZ2 LYS A 37 4.559 14.342 0.218 1.00 0.96 H new ATOM 0 HZ3 LYS A 37 5.923 15.164 -0.372 1.00 0.96 H new ATOM 580 N VAL A 38 11.608 13.037 1.231 1.00 0.19 N ATOM 581 CA VAL A 38 12.637 13.943 1.720 1.00 0.20 C ATOM 582 C VAL A 38 12.264 15.377 1.360 1.00 0.19 C ATOM 583 O VAL A 38 11.461 15.612 0.459 1.00 0.20 O ATOM 584 CB VAL A 38 14.034 13.619 1.131 1.00 0.22 C ATOM 585 CG1 VAL A 38 14.335 12.129 1.216 1.00 0.28 C ATOM 586 CG2 VAL A 38 14.162 14.123 -0.301 1.00 0.21 C ATOM 0 H VAL A 38 11.503 13.041 0.216 1.00 0.19 H new ATOM 0 HA VAL A 38 12.694 13.819 2.801 1.00 0.20 H new ATOM 0 HB VAL A 38 14.775 14.144 1.734 1.00 0.22 H new ATOM 0 HG11 VAL A 38 15.321 11.932 0.795 1.00 0.28 H new ATOM 0 HG12 VAL A 38 14.316 11.813 2.259 1.00 0.28 H new ATOM 0 HG13 VAL A 38 13.584 11.573 0.655 1.00 0.28 H new ATOM 0 HG21 VAL A 38 15.153 13.880 -0.685 1.00 0.21 H new ATOM 0 HG22 VAL A 38 13.405 13.646 -0.924 1.00 0.21 H new ATOM 0 HG23 VAL A 38 14.020 15.204 -0.320 1.00 0.21 H new ATOM 596 N LYS A 39 12.807 16.332 2.088 1.00 0.21 N ATOM 597 CA LYS A 39 12.573 17.735 1.782 1.00 0.20 C ATOM 598 C LYS A 39 13.382 18.153 0.571 1.00 0.18 C ATOM 599 O LYS A 39 14.417 17.557 0.283 1.00 0.18 O ATOM 600 CB LYS A 39 12.903 18.615 2.981 1.00 0.24 C ATOM 601 CG LYS A 39 11.954 18.390 4.150 1.00 0.86 C ATOM 602 CD LYS A 39 11.884 19.597 5.073 1.00 1.47 C ATOM 603 CE LYS A 39 11.219 20.789 4.406 1.00 1.82 C ATOM 604 NZ LYS A 39 11.159 21.958 5.319 1.00 2.43 N ATOM 0 H LYS A 39 13.411 16.167 2.893 1.00 0.21 H new ATOM 0 HA LYS A 39 11.515 17.864 1.552 1.00 0.20 H new ATOM 0 HB2 LYS A 39 13.925 18.415 3.304 1.00 0.24 H new ATOM 0 HB3 LYS A 39 12.862 19.662 2.681 1.00 0.24 H new ATOM 0 HG2 LYS A 39 10.957 18.168 3.769 1.00 0.86 H new ATOM 0 HG3 LYS A 39 12.280 17.519 4.718 1.00 0.86 H new ATOM 0 HD2 LYS A 39 11.332 19.332 5.974 1.00 1.47 H new ATOM 0 HD3 LYS A 39 12.891 19.872 5.386 1.00 1.47 H new ATOM 0 HE2 LYS A 39 11.770 21.058 3.505 1.00 1.82 H new ATOM 0 HE3 LYS A 39 10.211 20.517 4.094 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 10.528 22.680 4.917 1.00 2.43 H new ATOM 0 HZ2 LYS A 39 10.795 21.657 6.245 1.00 2.43 H new ATOM 0 HZ3 LYS A 39 12.112 22.357 5.435 1.00 2.43 H new ATOM 618 N MET A 40 12.881 19.154 -0.144 1.00 0.18 N ATOM 619 CA MET A 40 13.491 19.629 -1.388 1.00 0.18 C ATOM 620 C MET A 40 15.008 19.655 -1.341 1.00 0.17 C ATOM 621 O MET A 40 15.672 19.190 -2.265 1.00 0.20 O ATOM 622 CB MET A 40 12.984 21.030 -1.721 1.00 0.23 C ATOM 623 CG MET A 40 11.644 21.032 -2.422 1.00 0.30 C ATOM 624 SD MET A 40 11.798 21.008 -4.228 1.00 0.36 S ATOM 625 CE MET A 40 12.758 19.517 -4.505 1.00 0.33 C ATOM 0 H MET A 40 12.038 19.663 0.121 1.00 0.18 H new ATOM 0 HA MET A 40 13.199 18.917 -2.160 1.00 0.18 H new ATOM 0 HB2 MET A 40 12.905 21.608 -0.800 1.00 0.23 H new ATOM 0 HB3 MET A 40 13.717 21.533 -2.352 1.00 0.23 H new ATOM 0 HG2 MET A 40 11.069 20.164 -2.099 1.00 0.30 H new ATOM 0 HG3 MET A 40 11.083 21.917 -2.121 1.00 0.30 H new ATOM 0 HE1 MET A 40 12.803 19.307 -5.574 1.00 0.33 H new ATOM 0 HE2 MET A 40 13.768 19.658 -4.120 1.00 0.33 H new ATOM 0 HE3 MET A 40 12.287 18.680 -3.990 1.00 0.33 H new ATOM 635 N THR A 41 15.554 20.164 -0.257 1.00 0.17 N ATOM 636 CA THR A 41 16.984 20.377 -0.173 1.00 0.17 C ATOM 637 C THR A 41 17.603 19.409 0.826 1.00 0.18 C ATOM 638 O THR A 41 18.481 19.770 1.610 1.00 0.20 O ATOM 639 CB THR A 41 17.340 21.827 0.197 1.00 0.20 C ATOM 640 OG1 THR A 41 17.042 22.079 1.574 1.00 0.27 O ATOM 641 CG2 THR A 41 16.567 22.809 -0.665 1.00 0.25 C ATOM 0 H THR A 41 15.032 20.437 0.576 1.00 0.17 H new ATOM 0 HA THR A 41 17.397 20.188 -1.164 1.00 0.17 H new ATOM 0 HB THR A 41 18.408 21.962 0.024 1.00 0.20 H new ATOM 0 HG1 THR A 41 17.556 21.464 2.138 1.00 0.27 H new ATOM 0 HG21 THR A 41 16.835 23.828 -0.385 1.00 0.25 H new ATOM 0 HG22 THR A 41 16.813 22.644 -1.714 1.00 0.25 H new ATOM 0 HG23 THR A 41 15.498 22.661 -0.515 1.00 0.25 H new ATOM 649 N THR A 42 17.122 18.177 0.808 1.00 0.17 N ATOM 650 CA THR A 42 17.619 17.155 1.708 1.00 0.19 C ATOM 651 C THR A 42 18.806 16.429 1.083 1.00 0.15 C ATOM 652 O THR A 42 18.726 15.996 -0.068 1.00 0.15 O ATOM 653 CB THR A 42 16.507 16.119 1.976 1.00 0.24 C ATOM 654 OG1 THR A 42 15.711 16.520 3.099 1.00 0.39 O ATOM 655 CG2 THR A 42 17.101 14.732 2.184 1.00 0.18 C ATOM 0 H THR A 42 16.385 17.862 0.177 1.00 0.17 H new ATOM 0 HA THR A 42 17.928 17.634 2.637 1.00 0.19 H new ATOM 0 HB THR A 42 15.857 16.072 1.102 1.00 0.24 H new ATOM 0 HG1 THR A 42 15.758 15.832 3.796 1.00 0.39 H new ATOM 0 HG21 THR A 42 16.300 14.017 2.371 1.00 0.18 H new ATOM 0 HG22 THR A 42 17.651 14.434 1.291 1.00 0.18 H new ATOM 0 HG23 THR A 42 17.778 14.750 3.038 1.00 0.18 H new ATOM 663 N HIS A 43 19.897 16.289 1.849 1.00 0.15 N ATOM 664 CA HIS A 43 21.066 15.551 1.379 1.00 0.13 C ATOM 665 C HIS A 43 20.642 14.177 0.910 1.00 0.12 C ATOM 666 O HIS A 43 20.171 13.361 1.703 1.00 0.14 O ATOM 667 CB HIS A 43 22.129 15.396 2.472 1.00 0.16 C ATOM 668 CG HIS A 43 22.805 16.676 2.856 1.00 0.28 C ATOM 669 ND1 HIS A 43 23.188 16.972 4.146 1.00 1.06 N ATOM 670 CD2 HIS A 43 23.184 17.736 2.104 1.00 0.82 C ATOM 671 CE1 HIS A 43 23.770 18.157 4.169 1.00 0.93 C ATOM 672 NE2 HIS A 43 23.784 18.639 2.942 1.00 0.55 N ATOM 0 H HIS A 43 19.989 16.675 2.788 1.00 0.15 H new ATOM 0 HA HIS A 43 21.504 16.121 0.559 1.00 0.13 H new ATOM 0 HB2 HIS A 43 21.663 14.964 3.358 1.00 0.16 H new ATOM 0 HB3 HIS A 43 22.884 14.687 2.131 1.00 0.16 H new ATOM 0 HD2 HIS A 43 23.040 17.849 1.040 1.00 0.82 H new ATOM 0 HE1 HIS A 43 24.167 18.648 5.045 1.00 0.93 H new ATOM 0 HE2 HIS A 43 24.177 19.538 2.662 1.00 0.55 H new ATOM 681 N LEU A 44 20.811 13.921 -0.368 1.00 0.12 N ATOM 682 CA LEU A 44 20.375 12.670 -0.939 1.00 0.14 C ATOM 683 C LEU A 44 21.285 11.549 -0.496 1.00 0.16 C ATOM 684 O LEU A 44 20.996 10.383 -0.754 1.00 0.19 O ATOM 685 CB LEU A 44 20.348 12.749 -2.458 1.00 0.14 C ATOM 686 CG LEU A 44 19.019 12.399 -3.120 1.00 0.14 C ATOM 687 CD1 LEU A 44 17.855 12.830 -2.243 1.00 0.15 C ATOM 688 CD2 LEU A 44 18.918 13.066 -4.481 1.00 0.21 C ATOM 0 H LEU A 44 21.247 14.563 -1.030 1.00 0.12 H new ATOM 0 HA LEU A 44 19.364 12.468 -0.586 1.00 0.14 H new ATOM 0 HB2 LEU A 44 20.624 13.761 -2.755 1.00 0.14 H new ATOM 0 HB3 LEU A 44 21.115 12.081 -2.851 1.00 0.14 H new ATOM 0 HG LEU A 44 18.975 11.318 -3.251 1.00 0.14 H new ATOM 0 HD11 LEU A 44 16.916 12.572 -2.732 1.00 0.15 H new ATOM 0 HD12 LEU A 44 17.916 12.320 -1.282 1.00 0.15 H new ATOM 0 HD13 LEU A 44 17.898 13.908 -2.085 1.00 0.15 H new ATOM 0 HD21 LEU A 44 17.965 12.808 -4.943 1.00 0.21 H new ATOM 0 HD22 LEU A 44 18.983 14.148 -4.362 1.00 0.21 H new ATOM 0 HD23 LEU A 44 19.734 12.722 -5.116 1.00 0.21 H new ATOM 700 N LYS A 45 22.384 11.880 0.185 1.00 0.16 N ATOM 701 CA LYS A 45 23.205 10.872 0.802 1.00 0.17 C ATOM 702 C LYS A 45 22.404 10.158 1.855 1.00 0.16 C ATOM 703 O LYS A 45 22.459 8.944 1.969 1.00 0.16 O ATOM 704 CB LYS A 45 24.416 11.518 1.463 1.00 0.19 C ATOM 705 CG LYS A 45 25.353 10.517 2.091 1.00 0.28 C ATOM 706 CD LYS A 45 25.855 9.527 1.065 1.00 0.51 C ATOM 707 CE LYS A 45 26.579 8.393 1.742 1.00 0.43 C ATOM 708 NZ LYS A 45 27.921 8.157 1.146 1.00 1.13 N ATOM 0 H LYS A 45 22.713 12.837 0.315 1.00 0.16 H new ATOM 0 HA LYS A 45 23.539 10.169 0.039 1.00 0.17 H new ATOM 0 HB2 LYS A 45 24.961 12.100 0.719 1.00 0.19 H new ATOM 0 HB3 LYS A 45 24.075 12.217 2.227 1.00 0.19 H new ATOM 0 HG2 LYS A 45 26.197 11.038 2.543 1.00 0.28 H new ATOM 0 HG3 LYS A 45 24.840 9.986 2.893 1.00 0.28 H new ATOM 0 HD2 LYS A 45 25.018 9.138 0.485 1.00 0.51 H new ATOM 0 HD3 LYS A 45 26.523 10.027 0.364 1.00 0.51 H new ATOM 0 HE2 LYS A 45 26.687 8.614 2.804 1.00 0.43 H new ATOM 0 HE3 LYS A 45 25.983 7.484 1.665 1.00 0.43 H new ATOM 0 HZ1 LYS A 45 28.597 7.913 1.898 1.00 1.13 H new ATOM 0 HZ2 LYS A 45 27.865 7.374 0.464 1.00 1.13 H new ATOM 0 HZ3 LYS A 45 28.241 9.018 0.659 1.00 1.13 H new ATOM 722 N LYS A 46 21.652 10.942 2.614 1.00 0.17 N ATOM 723 CA LYS A 46 20.812 10.417 3.668 1.00 0.17 C ATOM 724 C LYS A 46 19.882 9.376 3.089 1.00 0.15 C ATOM 725 O LYS A 46 19.730 8.296 3.646 1.00 0.16 O ATOM 726 CB LYS A 46 20.008 11.544 4.311 1.00 0.21 C ATOM 727 CG LYS A 46 20.875 12.653 4.877 1.00 0.73 C ATOM 728 CD LYS A 46 20.039 13.753 5.508 1.00 1.32 C ATOM 729 CE LYS A 46 19.175 13.207 6.630 1.00 1.72 C ATOM 730 NZ LYS A 46 18.399 14.271 7.321 1.00 2.63 N ATOM 0 H LYS A 46 21.610 11.956 2.513 1.00 0.17 H new ATOM 0 HA LYS A 46 21.436 9.959 4.435 1.00 0.17 H new ATOM 0 HB2 LYS A 46 19.329 11.966 3.569 1.00 0.21 H new ATOM 0 HB3 LYS A 46 19.391 11.131 5.109 1.00 0.21 H new ATOM 0 HG2 LYS A 46 21.554 12.239 5.622 1.00 0.73 H new ATOM 0 HG3 LYS A 46 21.491 13.074 4.083 1.00 0.73 H new ATOM 0 HD2 LYS A 46 20.693 14.534 5.896 1.00 1.32 H new ATOM 0 HD3 LYS A 46 19.407 14.214 4.749 1.00 1.32 H new ATOM 0 HE2 LYS A 46 18.487 12.464 6.226 1.00 1.72 H new ATOM 0 HE3 LYS A 46 19.808 12.694 7.355 1.00 1.72 H new ATOM 0 HZ1 LYS A 46 17.568 13.850 7.784 1.00 2.63 H new ATOM 0 HZ2 LYS A 46 18.999 14.729 8.036 1.00 2.63 H new ATOM 0 HZ3 LYS A 46 18.086 14.979 6.627 1.00 2.63 H new ATOM 744 N LEU A 47 19.282 9.720 1.950 1.00 0.15 N ATOM 745 CA LEU A 47 18.449 8.795 1.184 1.00 0.15 C ATOM 746 C LEU A 47 19.211 7.508 0.865 1.00 0.13 C ATOM 747 O LEU A 47 18.693 6.391 1.059 1.00 0.12 O ATOM 748 CB LEU A 47 17.976 9.493 -0.106 1.00 0.17 C ATOM 749 CG LEU A 47 17.245 8.609 -1.120 1.00 0.19 C ATOM 750 CD1 LEU A 47 16.059 9.356 -1.710 1.00 0.57 C ATOM 751 CD2 LEU A 47 18.198 8.176 -2.222 1.00 0.56 C ATOM 0 H LEU A 47 19.360 10.648 1.533 1.00 0.15 H new ATOM 0 HA LEU A 47 17.580 8.516 1.780 1.00 0.15 H new ATOM 0 HB2 LEU A 47 17.316 10.315 0.171 1.00 0.17 H new ATOM 0 HB3 LEU A 47 18.844 9.932 -0.597 1.00 0.17 H new ATOM 0 HG LEU A 47 16.877 7.720 -0.609 1.00 0.19 H new ATOM 0 HD11 LEU A 47 15.548 8.717 -2.430 1.00 0.57 H new ATOM 0 HD12 LEU A 47 15.368 9.630 -0.913 1.00 0.57 H new ATOM 0 HD13 LEU A 47 16.410 10.258 -2.211 1.00 0.57 H new ATOM 0 HD21 LEU A 47 17.666 7.548 -2.937 1.00 0.56 H new ATOM 0 HD22 LEU A 47 18.588 9.057 -2.733 1.00 0.56 H new ATOM 0 HD23 LEU A 47 19.024 7.613 -1.788 1.00 0.56 H new ATOM 763 N LYS A 48 20.452 7.662 0.415 1.00 0.13 N ATOM 764 CA LYS A 48 21.294 6.516 0.118 1.00 0.13 C ATOM 765 C LYS A 48 21.483 5.691 1.379 1.00 0.12 C ATOM 766 O LYS A 48 21.372 4.465 1.366 1.00 0.13 O ATOM 767 CB LYS A 48 22.673 6.946 -0.394 1.00 0.15 C ATOM 768 CG LYS A 48 22.650 7.981 -1.510 1.00 0.18 C ATOM 769 CD LYS A 48 24.045 8.228 -2.079 1.00 0.31 C ATOM 770 CE LYS A 48 24.730 6.925 -2.494 1.00 0.40 C ATOM 771 NZ LYS A 48 26.107 7.145 -3.015 1.00 0.57 N ATOM 0 H LYS A 48 20.893 8.567 0.250 1.00 0.13 H new ATOM 0 HA LYS A 48 20.801 5.932 -0.659 1.00 0.13 H new ATOM 0 HB2 LYS A 48 23.245 7.348 0.442 1.00 0.15 H new ATOM 0 HB3 LYS A 48 23.204 6.063 -0.749 1.00 0.15 H new ATOM 0 HG2 LYS A 48 21.987 7.643 -2.306 1.00 0.18 H new ATOM 0 HG3 LYS A 48 22.241 8.917 -1.130 1.00 0.18 H new ATOM 0 HD2 LYS A 48 23.973 8.891 -2.941 1.00 0.31 H new ATOM 0 HD3 LYS A 48 24.656 8.738 -1.334 1.00 0.31 H new ATOM 0 HE2 LYS A 48 24.772 6.252 -1.638 1.00 0.40 H new ATOM 0 HE3 LYS A 48 24.131 6.431 -3.258 1.00 0.40 H new ATOM 0 HZ1 LYS A 48 26.533 6.230 -3.266 1.00 0.57 H new ATOM 0 HZ2 LYS A 48 26.066 7.751 -3.859 1.00 0.57 H new ATOM 0 HZ3 LYS A 48 26.685 7.607 -2.284 1.00 0.57 H new ATOM 785 N GLU A 49 21.760 6.391 2.470 1.00 0.12 N ATOM 786 CA GLU A 49 22.067 5.756 3.732 1.00 0.13 C ATOM 787 C GLU A 49 20.852 5.032 4.290 1.00 0.13 C ATOM 788 O GLU A 49 20.990 3.935 4.794 1.00 0.13 O ATOM 789 CB GLU A 49 22.594 6.762 4.754 1.00 0.15 C ATOM 790 CG GLU A 49 23.745 7.612 4.238 1.00 0.20 C ATOM 791 CD GLU A 49 24.354 8.492 5.309 1.00 0.36 C ATOM 792 OE1 GLU A 49 23.596 9.038 6.136 1.00 0.86 O ATOM 793 OE2 GLU A 49 25.594 8.654 5.322 1.00 0.82 O ATOM 0 H GLU A 49 21.777 7.410 2.500 1.00 0.12 H new ATOM 0 HA GLU A 49 22.852 5.024 3.540 1.00 0.13 H new ATOM 0 HB2 GLU A 49 21.778 7.417 5.059 1.00 0.15 H new ATOM 0 HB3 GLU A 49 22.921 6.225 5.644 1.00 0.15 H new ATOM 0 HG2 GLU A 49 24.517 6.960 3.829 1.00 0.20 H new ATOM 0 HG3 GLU A 49 23.389 8.238 3.419 1.00 0.20 H new ATOM 800 N SER A 50 19.662 5.627 4.198 1.00 0.14 N ATOM 801 CA SER A 50 18.455 4.961 4.686 1.00 0.15 C ATOM 802 C SER A 50 18.322 3.583 4.052 1.00 0.13 C ATOM 803 O SER A 50 18.233 2.563 4.757 1.00 0.13 O ATOM 804 CB SER A 50 17.210 5.798 4.372 1.00 0.19 C ATOM 805 OG SER A 50 17.496 6.795 3.411 1.00 1.08 O ATOM 0 H SER A 50 19.509 6.552 3.797 1.00 0.14 H new ATOM 0 HA SER A 50 18.539 4.852 5.767 1.00 0.15 H new ATOM 0 HB2 SER A 50 16.416 5.149 4.002 1.00 0.19 H new ATOM 0 HB3 SER A 50 16.842 6.264 5.286 1.00 0.19 H new ATOM 0 HG SER A 50 17.851 6.375 2.600 1.00 1.08 H new ATOM 811 N TYR A 51 18.379 3.554 2.720 1.00 0.13 N ATOM 812 CA TYR A 51 18.281 2.300 1.987 1.00 0.13 C ATOM 813 C TYR A 51 19.407 1.357 2.404 1.00 0.12 C ATOM 814 O TYR A 51 19.167 0.246 2.885 1.00 0.13 O ATOM 815 CB TYR A 51 18.344 2.561 0.472 1.00 0.18 C ATOM 816 CG TYR A 51 18.357 1.297 -0.384 1.00 0.19 C ATOM 817 CD1 TYR A 51 19.482 0.479 -0.443 1.00 0.20 C ATOM 818 CD2 TYR A 51 17.248 0.928 -1.143 1.00 0.41 C ATOM 819 CE1 TYR A 51 19.498 -0.657 -1.235 1.00 0.20 C ATOM 820 CE2 TYR A 51 17.259 -0.200 -1.935 1.00 0.45 C ATOM 821 CZ TYR A 51 18.379 -1.032 -1.918 1.00 0.29 C ATOM 822 OH TYR A 51 18.407 -2.113 -2.774 1.00 0.33 O ATOM 0 H TYR A 51 18.492 4.381 2.134 1.00 0.13 H new ATOM 0 HA TYR A 51 17.325 1.833 2.222 1.00 0.13 H new ATOM 0 HB2 TYR A 51 17.488 3.171 0.185 1.00 0.18 H new ATOM 0 HB3 TYR A 51 19.239 3.143 0.253 1.00 0.18 H new ATOM 0 HD1 TYR A 51 20.356 0.734 0.138 1.00 0.20 H new ATOM 0 HD2 TYR A 51 16.359 1.540 -1.110 1.00 0.41 H new ATOM 0 HE1 TYR A 51 20.399 -1.247 -1.312 1.00 0.20 H new ATOM 0 HE2 TYR A 51 16.411 -0.437 -2.561 1.00 0.45 H new ATOM 0 HH TYR A 51 19.068 -2.764 -2.458 1.00 0.33 H new ATOM 832 N CYS A 52 20.629 1.836 2.237 1.00 0.12 N ATOM 833 CA CYS A 52 21.826 1.028 2.368 1.00 0.13 C ATOM 834 C CYS A 52 22.001 0.513 3.791 1.00 0.13 C ATOM 835 O CYS A 52 22.251 -0.670 4.015 1.00 0.17 O ATOM 836 CB CYS A 52 23.017 1.892 1.954 1.00 0.16 C ATOM 837 SG CYS A 52 24.587 1.025 1.835 1.00 0.46 S ATOM 0 H CYS A 52 20.818 2.811 2.003 1.00 0.12 H new ATOM 0 HA CYS A 52 21.749 0.150 1.727 1.00 0.13 H new ATOM 0 HB2 CYS A 52 22.797 2.347 0.988 1.00 0.16 H new ATOM 0 HB3 CYS A 52 23.123 2.705 2.672 1.00 0.16 H new ATOM 0 HG CYS A 52 24.886 0.508 2.990 1.00 0.46 H new ATOM 843 N GLN A 53 21.840 1.413 4.742 1.00 0.12 N ATOM 844 CA GLN A 53 22.030 1.101 6.150 1.00 0.14 C ATOM 845 C GLN A 53 21.087 -0.004 6.609 1.00 0.16 C ATOM 846 O GLN A 53 21.538 -1.036 7.106 1.00 0.19 O ATOM 847 CB GLN A 53 21.813 2.378 6.975 1.00 0.17 C ATOM 848 CG GLN A 53 21.664 2.172 8.478 1.00 0.22 C ATOM 849 CD GLN A 53 20.228 1.894 8.892 1.00 0.38 C ATOM 850 OE1 GLN A 53 19.280 2.450 8.151 1.00 0.68 O flip ATOM 851 NE2 GLN A 53 19.976 1.191 9.866 1.00 0.38 N flip ATOM 0 H GLN A 53 21.574 2.381 4.563 1.00 0.12 H new ATOM 0 HA GLN A 53 23.046 0.735 6.298 1.00 0.14 H new ATOM 0 HB2 GLN A 53 22.653 3.050 6.800 1.00 0.17 H new ATOM 0 HB3 GLN A 53 20.920 2.881 6.605 1.00 0.17 H new ATOM 0 HG2 GLN A 53 22.296 1.341 8.791 1.00 0.22 H new ATOM 0 HG3 GLN A 53 22.023 3.059 9.000 1.00 0.22 H new ATOM 0 HE21 GLN A 53 20.736 0.782 10.410 1.00 0.38 H new ATOM 0 HE22 GLN A 53 19.007 1.016 10.132 1.00 0.38 H new ATOM 860 N ARG A 54 19.788 0.177 6.398 1.00 0.17 N ATOM 861 CA ARG A 54 18.828 -0.748 6.978 1.00 0.21 C ATOM 862 C ARG A 54 18.906 -2.096 6.285 1.00 0.23 C ATOM 863 O ARG A 54 18.688 -3.134 6.899 1.00 0.30 O ATOM 864 CB ARG A 54 17.398 -0.189 6.909 1.00 0.22 C ATOM 865 CG ARG A 54 16.774 -0.236 5.524 1.00 0.25 C ATOM 866 CD ARG A 54 15.658 -1.275 5.426 1.00 0.53 C ATOM 867 NE ARG A 54 16.120 -2.631 5.739 1.00 0.93 N ATOM 868 CZ ARG A 54 15.323 -3.684 5.911 1.00 1.03 C ATOM 869 NH1 ARG A 54 14.008 -3.550 5.885 1.00 1.20 N ATOM 870 NH2 ARG A 54 15.854 -4.873 6.144 1.00 1.49 N ATOM 0 H ARG A 54 19.386 0.934 5.845 1.00 0.17 H new ATOM 0 HA ARG A 54 19.083 -0.879 8.030 1.00 0.21 H new ATOM 0 HB2 ARG A 54 16.767 -0.751 7.598 1.00 0.22 H new ATOM 0 HB3 ARG A 54 17.407 0.844 7.256 1.00 0.22 H new ATOM 0 HG2 ARG A 54 16.375 0.747 5.274 1.00 0.25 H new ATOM 0 HG3 ARG A 54 17.545 -0.464 4.788 1.00 0.25 H new ATOM 0 HD2 ARG A 54 14.853 -1.003 6.108 1.00 0.53 H new ATOM 0 HD3 ARG A 54 15.241 -1.261 4.419 1.00 0.53 H new ATOM 0 HE ARG A 54 17.125 -2.778 5.832 1.00 0.93 H new ATOM 0 HH11 ARG A 54 13.592 -2.631 5.732 1.00 1.20 H new ATOM 0 HH12 ARG A 54 13.410 -4.365 6.018 1.00 1.20 H new ATOM 0 HH21 ARG A 54 16.867 -4.979 6.191 1.00 1.49 H new ATOM 0 HH22 ARG A 54 15.250 -5.684 6.277 1.00 1.49 H new ATOM 884 N GLN A 55 19.215 -2.074 5.000 1.00 0.21 N ATOM 885 CA GLN A 55 19.204 -3.289 4.199 1.00 0.25 C ATOM 886 C GLN A 55 20.490 -4.103 4.391 1.00 0.24 C ATOM 887 O GLN A 55 20.652 -5.176 3.809 1.00 0.34 O ATOM 888 CB GLN A 55 18.989 -2.913 2.735 1.00 0.32 C ATOM 889 CG GLN A 55 18.578 -4.072 1.839 1.00 0.49 C ATOM 890 CD GLN A 55 17.662 -3.624 0.718 1.00 1.07 C ATOM 891 OE1 GLN A 55 16.738 -2.730 1.040 1.00 1.93 O flip ATOM 892 NE2 GLN A 55 17.743 -4.117 -0.408 1.00 1.10 N flip ATOM 0 H GLN A 55 19.476 -1.231 4.489 1.00 0.21 H new ATOM 0 HA GLN A 55 18.385 -3.929 4.528 1.00 0.25 H new ATOM 0 HB2 GLN A 55 18.223 -2.139 2.681 1.00 0.32 H new ATOM 0 HB3 GLN A 55 19.910 -2.478 2.346 1.00 0.32 H new ATOM 0 HG2 GLN A 55 19.468 -4.537 1.416 1.00 0.49 H new ATOM 0 HG3 GLN A 55 18.075 -4.832 2.437 1.00 0.49 H new ATOM 0 HE21 GLN A 55 18.470 -4.802 -0.614 1.00 1.10 H new ATOM 0 HE22 GLN A 55 17.083 -3.840 -1.135 1.00 1.10 H new ATOM 901 N GLY A 56 21.394 -3.592 5.223 1.00 0.21 N ATOM 902 CA GLY A 56 22.615 -4.322 5.531 1.00 0.23 C ATOM 903 C GLY A 56 23.665 -4.170 4.452 1.00 0.20 C ATOM 904 O GLY A 56 24.342 -5.134 4.087 1.00 0.24 O ATOM 0 H GLY A 56 21.305 -2.689 5.689 1.00 0.21 H new ATOM 0 HA2 GLY A 56 23.018 -3.967 6.479 1.00 0.23 H new ATOM 0 HA3 GLY A 56 22.381 -5.379 5.660 1.00 0.23 H new ATOM 908 N VAL A 57 23.794 -2.960 3.938 1.00 0.17 N ATOM 909 CA VAL A 57 24.749 -2.662 2.881 1.00 0.16 C ATOM 910 C VAL A 57 25.727 -1.591 3.374 1.00 0.14 C ATOM 911 O VAL A 57 25.334 -0.698 4.132 1.00 0.14 O ATOM 912 CB VAL A 57 24.021 -2.125 1.618 1.00 0.16 C ATOM 913 CG1 VAL A 57 24.810 -2.393 0.348 1.00 0.18 C ATOM 914 CG2 VAL A 57 22.615 -2.691 1.502 1.00 0.16 C ATOM 0 H VAL A 57 23.242 -2.157 4.239 1.00 0.17 H new ATOM 0 HA VAL A 57 25.280 -3.579 2.624 1.00 0.16 H new ATOM 0 HB VAL A 57 23.945 -1.044 1.738 1.00 0.16 H new ATOM 0 HG11 VAL A 57 24.263 -2.001 -0.510 1.00 0.18 H new ATOM 0 HG12 VAL A 57 25.782 -1.904 0.413 1.00 0.18 H new ATOM 0 HG13 VAL A 57 24.952 -3.467 0.227 1.00 0.18 H new ATOM 0 HG21 VAL A 57 22.136 -2.294 0.607 1.00 0.16 H new ATOM 0 HG22 VAL A 57 22.665 -3.778 1.435 1.00 0.16 H new ATOM 0 HG23 VAL A 57 22.035 -2.408 2.380 1.00 0.16 H new ATOM 924 N PRO A 58 27.010 -1.653 2.982 1.00 0.15 N ATOM 925 CA PRO A 58 27.952 -0.573 3.252 1.00 0.15 C ATOM 926 C PRO A 58 27.820 0.515 2.196 1.00 0.15 C ATOM 927 O PRO A 58 27.692 0.231 1.003 1.00 0.15 O ATOM 928 CB PRO A 58 29.299 -1.272 3.147 1.00 0.18 C ATOM 929 CG PRO A 58 29.077 -2.259 2.068 1.00 0.19 C ATOM 930 CD PRO A 58 27.663 -2.764 2.263 1.00 0.17 C ATOM 0 HA PRO A 58 27.797 -0.081 4.212 1.00 0.15 H new ATOM 0 HB2 PRO A 58 30.098 -0.574 2.897 1.00 0.18 H new ATOM 0 HB3 PRO A 58 29.578 -1.754 4.084 1.00 0.18 H new ATOM 0 HG2 PRO A 58 29.198 -1.801 1.086 1.00 0.19 H new ATOM 0 HG3 PRO A 58 29.797 -3.075 2.129 1.00 0.19 H new ATOM 0 HD2 PRO A 58 27.174 -2.972 1.311 1.00 0.17 H new ATOM 0 HD3 PRO A 58 27.640 -3.688 2.841 1.00 0.17 H new ATOM 938 N MET A 59 27.849 1.758 2.653 1.00 0.16 N ATOM 939 CA MET A 59 27.519 2.904 1.815 1.00 0.18 C ATOM 940 C MET A 59 28.424 2.997 0.591 1.00 0.20 C ATOM 941 O MET A 59 28.006 3.469 -0.462 1.00 0.25 O ATOM 942 CB MET A 59 27.610 4.198 2.633 1.00 0.19 C ATOM 943 CG MET A 59 26.439 5.145 2.407 1.00 0.19 C ATOM 944 SD MET A 59 26.148 5.493 0.665 1.00 0.22 S ATOM 945 CE MET A 59 24.651 4.562 0.438 1.00 0.16 C ATOM 0 H MET A 59 28.101 2.001 3.611 1.00 0.16 H new ATOM 0 HA MET A 59 26.498 2.766 1.460 1.00 0.18 H new ATOM 0 HB2 MET A 59 27.663 3.946 3.692 1.00 0.19 H new ATOM 0 HB3 MET A 59 28.537 4.713 2.381 1.00 0.19 H new ATOM 0 HG2 MET A 59 25.538 4.711 2.841 1.00 0.19 H new ATOM 0 HG3 MET A 59 26.628 6.081 2.933 1.00 0.19 H new ATOM 0 HE1 MET A 59 24.155 4.888 -0.476 1.00 0.16 H new ATOM 0 HE2 MET A 59 24.890 3.501 0.362 1.00 0.16 H new ATOM 0 HE3 MET A 59 23.989 4.725 1.288 1.00 0.16 H new ATOM 955 N ASN A 60 29.653 2.530 0.727 1.00 0.22 N ATOM 956 CA ASN A 60 30.629 2.635 -0.356 1.00 0.27 C ATOM 957 C ASN A 60 30.368 1.595 -1.439 1.00 0.23 C ATOM 958 O ASN A 60 31.036 1.571 -2.470 1.00 0.27 O ATOM 959 CB ASN A 60 32.059 2.464 0.178 1.00 0.35 C ATOM 960 CG ASN A 60 32.426 1.009 0.410 1.00 0.61 C ATOM 961 OD1 ASN A 60 32.988 0.380 -0.608 1.00 1.10 O flip ATOM 962 ND2 ASN A 60 32.210 0.461 1.489 1.00 0.71 N flip ATOM 0 H ASN A 60 30.003 2.076 1.571 1.00 0.22 H new ATOM 0 HA ASN A 60 30.523 3.629 -0.790 1.00 0.27 H new ATOM 0 HB2 ASN A 60 32.762 2.904 -0.529 1.00 0.35 H new ATOM 0 HB3 ASN A 60 32.162 3.014 1.113 1.00 0.35 H new ATOM 0 HD21 ASN A 60 31.774 0.984 2.248 1.00 0.71 H new ATOM 0 HD22 ASN A 60 32.467 -0.517 1.625 1.00 0.71 H new ATOM 969 N SER A 61 29.413 0.720 -1.193 1.00 0.19 N ATOM 970 CA SER A 61 29.129 -0.362 -2.109 1.00 0.19 C ATOM 971 C SER A 61 27.919 -0.040 -2.980 1.00 0.15 C ATOM 972 O SER A 61 27.691 -0.697 -3.990 1.00 0.16 O ATOM 973 CB SER A 61 28.899 -1.660 -1.326 1.00 0.23 C ATOM 974 OG SER A 61 28.887 -2.795 -2.176 1.00 0.57 O ATOM 0 H SER A 61 28.820 0.739 -0.363 1.00 0.19 H new ATOM 0 HA SER A 61 29.988 -0.492 -2.768 1.00 0.19 H new ATOM 0 HB2 SER A 61 29.682 -1.776 -0.577 1.00 0.23 H new ATOM 0 HB3 SER A 61 27.952 -1.598 -0.790 1.00 0.23 H new ATOM 0 HG SER A 61 29.807 -3.088 -2.343 1.00 0.57 H new ATOM 980 N LEU A 62 27.159 0.987 -2.628 1.00 0.15 N ATOM 981 CA LEU A 62 25.938 1.267 -3.363 1.00 0.15 C ATOM 982 C LEU A 62 25.832 2.720 -3.788 1.00 0.17 C ATOM 983 O LEU A 62 26.041 3.642 -3.004 1.00 0.23 O ATOM 984 CB LEU A 62 24.717 0.878 -2.545 1.00 0.17 C ATOM 985 CG LEU A 62 23.765 -0.084 -3.248 1.00 0.16 C ATOM 986 CD1 LEU A 62 24.527 -1.242 -3.864 1.00 0.18 C ATOM 987 CD2 LEU A 62 22.719 -0.596 -2.274 1.00 0.20 C ATOM 0 H LEU A 62 27.360 1.625 -1.858 1.00 0.15 H new ATOM 0 HA LEU A 62 25.976 0.663 -4.270 1.00 0.15 H new ATOM 0 HB2 LEU A 62 25.050 0.423 -1.612 1.00 0.17 H new ATOM 0 HB3 LEU A 62 24.169 1.783 -2.280 1.00 0.17 H new ATOM 0 HG LEU A 62 23.261 0.457 -4.049 1.00 0.16 H new ATOM 0 HD11 LEU A 62 23.828 -1.915 -4.360 1.00 0.18 H new ATOM 0 HD12 LEU A 62 25.242 -0.860 -4.593 1.00 0.18 H new ATOM 0 HD13 LEU A 62 25.060 -1.784 -3.082 1.00 0.18 H new ATOM 0 HD21 LEU A 62 22.046 -1.282 -2.790 1.00 0.20 H new ATOM 0 HD22 LEU A 62 23.211 -1.119 -1.453 1.00 0.20 H new ATOM 0 HD23 LEU A 62 22.148 0.244 -1.879 1.00 0.20 H new ATOM 999 N ARG A 63 25.455 2.897 -5.038 1.00 0.14 N ATOM 1000 CA ARG A 63 25.291 4.210 -5.626 1.00 0.15 C ATOM 1001 C ARG A 63 23.843 4.429 -6.002 1.00 0.14 C ATOM 1002 O ARG A 63 23.185 3.540 -6.544 1.00 0.16 O ATOM 1003 CB ARG A 63 26.189 4.373 -6.862 1.00 0.19 C ATOM 1004 CG ARG A 63 25.892 3.400 -7.986 1.00 0.25 C ATOM 1005 CD ARG A 63 27.162 2.952 -8.704 1.00 0.28 C ATOM 1006 NE ARG A 63 27.848 4.042 -9.399 1.00 0.89 N ATOM 1007 CZ ARG A 63 29.176 4.118 -9.536 1.00 1.03 C ATOM 1008 NH1 ARG A 63 29.962 3.166 -9.040 1.00 1.24 N ATOM 1009 NH2 ARG A 63 29.714 5.132 -10.200 1.00 1.70 N ATOM 0 H ARG A 63 25.253 2.129 -5.678 1.00 0.14 H new ATOM 0 HA ARG A 63 25.587 4.957 -4.889 1.00 0.15 H new ATOM 0 HB2 ARG A 63 26.084 5.390 -7.241 1.00 0.19 H new ATOM 0 HB3 ARG A 63 27.229 4.252 -6.559 1.00 0.19 H new ATOM 0 HG2 ARG A 63 25.376 2.528 -7.584 1.00 0.25 H new ATOM 0 HG3 ARG A 63 25.217 3.868 -8.702 1.00 0.25 H new ATOM 0 HD2 ARG A 63 27.843 2.507 -7.979 1.00 0.28 H new ATOM 0 HD3 ARG A 63 26.909 2.173 -9.424 1.00 0.28 H new ATOM 0 HE ARG A 63 27.280 4.787 -9.802 1.00 0.89 H new ATOM 0 HH11 ARG A 63 29.553 2.370 -8.551 1.00 1.24 H new ATOM 0 HH12 ARG A 63 30.974 3.232 -9.149 1.00 1.24 H new ATOM 0 HH21 ARG A 63 29.115 5.852 -10.605 1.00 1.70 H new ATOM 0 HH22 ARG A 63 30.727 5.192 -10.306 1.00 1.70 H new ATOM 1023 N PHE A 64 23.347 5.605 -5.680 1.00 0.12 N ATOM 1024 CA PHE A 64 21.987 5.973 -6.003 1.00 0.11 C ATOM 1025 C PHE A 64 22.015 7.031 -7.076 1.00 0.11 C ATOM 1026 O PHE A 64 22.826 7.956 -7.019 1.00 0.11 O ATOM 1027 CB PHE A 64 21.249 6.481 -4.758 1.00 0.11 C ATOM 1028 CG PHE A 64 21.044 5.434 -3.693 1.00 0.11 C ATOM 1029 CD1 PHE A 64 22.126 4.759 -3.157 1.00 0.14 C ATOM 1030 CD2 PHE A 64 19.773 5.128 -3.230 1.00 0.10 C ATOM 1031 CE1 PHE A 64 21.944 3.800 -2.184 1.00 0.15 C ATOM 1032 CE2 PHE A 64 19.585 4.171 -2.255 1.00 0.11 C ATOM 1033 CZ PHE A 64 20.658 3.506 -1.734 1.00 0.12 C ATOM 0 H PHE A 64 23.873 6.329 -5.190 1.00 0.12 H new ATOM 0 HA PHE A 64 21.449 5.097 -6.366 1.00 0.11 H new ATOM 0 HB2 PHE A 64 21.809 7.313 -4.331 1.00 0.11 H new ATOM 0 HB3 PHE A 64 20.277 6.872 -5.059 1.00 0.11 H new ATOM 0 HD1 PHE A 64 23.123 4.986 -3.504 1.00 0.14 H new ATOM 0 HD2 PHE A 64 18.918 5.647 -3.639 1.00 0.10 H new ATOM 0 HE1 PHE A 64 22.795 3.278 -1.772 1.00 0.15 H new ATOM 0 HE2 PHE A 64 18.589 3.947 -1.903 1.00 0.11 H new ATOM 0 HZ PHE A 64 20.510 2.753 -0.974 1.00 0.12 H new ATOM 1043 N LEU A 65 21.194 6.856 -8.090 1.00 0.11 N ATOM 1044 CA LEU A 65 21.217 7.752 -9.224 1.00 0.12 C ATOM 1045 C LEU A 65 19.826 8.215 -9.604 1.00 0.14 C ATOM 1046 O LEU A 65 18.853 7.494 -9.444 1.00 0.15 O ATOM 1047 CB LEU A 65 21.870 7.082 -10.438 1.00 0.13 C ATOM 1048 CG LEU A 65 23.262 6.485 -10.207 1.00 0.14 C ATOM 1049 CD1 LEU A 65 23.180 5.194 -9.430 1.00 0.12 C ATOM 1050 CD2 LEU A 65 23.976 6.251 -11.527 1.00 0.21 C ATOM 0 H LEU A 65 20.506 6.105 -8.151 1.00 0.11 H new ATOM 0 HA LEU A 65 21.804 8.620 -8.925 1.00 0.12 H new ATOM 0 HB2 LEU A 65 21.210 6.289 -10.789 1.00 0.13 H new ATOM 0 HB3 LEU A 65 21.940 7.817 -11.240 1.00 0.13 H new ATOM 0 HG LEU A 65 23.834 7.204 -9.621 1.00 0.14 H new ATOM 0 HD11 LEU A 65 24.183 4.794 -9.282 1.00 0.12 H new ATOM 0 HD12 LEU A 65 22.717 5.381 -8.461 1.00 0.12 H new ATOM 0 HD13 LEU A 65 22.580 4.473 -9.985 1.00 0.12 H new ATOM 0 HD21 LEU A 65 24.962 5.827 -11.337 1.00 0.21 H new ATOM 0 HD22 LEU A 65 23.395 5.560 -12.137 1.00 0.21 H new ATOM 0 HD23 LEU A 65 24.084 7.198 -12.055 1.00 0.21 H new ATOM 1062 N PHE A 66 19.765 9.400 -10.167 1.00 0.16 N ATOM 1063 CA PHE A 66 18.525 9.952 -10.681 1.00 0.23 C ATOM 1064 C PHE A 66 18.460 9.707 -12.182 1.00 0.28 C ATOM 1065 O PHE A 66 19.052 10.436 -12.976 1.00 0.31 O ATOM 1066 CB PHE A 66 18.447 11.451 -10.339 1.00 0.28 C ATOM 1067 CG PHE A 66 17.510 12.258 -11.194 1.00 0.80 C ATOM 1068 CD1 PHE A 66 16.163 11.942 -11.278 1.00 0.91 C ATOM 1069 CD2 PHE A 66 17.983 13.352 -11.902 1.00 1.33 C ATOM 1070 CE1 PHE A 66 15.311 12.700 -12.052 1.00 1.52 C ATOM 1071 CE2 PHE A 66 17.132 14.113 -12.679 1.00 1.95 C ATOM 1072 CZ PHE A 66 15.793 13.786 -12.753 1.00 2.03 C ATOM 0 H PHE A 66 20.573 10.012 -10.283 1.00 0.16 H new ATOM 0 HA PHE A 66 17.667 9.464 -10.219 1.00 0.23 H new ATOM 0 HB2 PHE A 66 18.142 11.554 -9.298 1.00 0.28 H new ATOM 0 HB3 PHE A 66 19.446 11.878 -10.422 1.00 0.28 H new ATOM 0 HD1 PHE A 66 15.777 11.094 -10.732 1.00 0.91 H new ATOM 0 HD2 PHE A 66 19.030 13.612 -11.845 1.00 1.33 H new ATOM 0 HE1 PHE A 66 14.264 12.443 -12.110 1.00 1.52 H new ATOM 0 HE2 PHE A 66 17.513 14.962 -13.227 1.00 1.95 H new ATOM 0 HZ PHE A 66 15.124 14.379 -13.359 1.00 2.03 H new ATOM 1082 N GLU A 67 17.777 8.619 -12.540 1.00 0.37 N ATOM 1083 CA GLU A 67 17.642 8.175 -13.927 1.00 0.46 C ATOM 1084 C GLU A 67 19.002 8.056 -14.618 1.00 0.40 C ATOM 1085 O GLU A 67 19.132 8.332 -15.812 1.00 0.46 O ATOM 1086 CB GLU A 67 16.731 9.124 -14.702 1.00 0.57 C ATOM 1087 CG GLU A 67 15.327 9.212 -14.133 1.00 1.22 C ATOM 1088 CD GLU A 67 14.423 10.128 -14.927 1.00 1.29 C ATOM 1089 OE1 GLU A 67 14.505 11.358 -14.741 1.00 1.63 O ATOM 1090 OE2 GLU A 67 13.632 9.623 -15.749 1.00 1.83 O ATOM 0 H GLU A 67 17.298 8.017 -11.870 1.00 0.37 H new ATOM 0 HA GLU A 67 17.192 7.182 -13.914 1.00 0.46 H new ATOM 0 HB2 GLU A 67 17.176 10.119 -14.707 1.00 0.57 H new ATOM 0 HB3 GLU A 67 16.674 8.795 -15.740 1.00 0.57 H new ATOM 0 HG2 GLU A 67 14.889 8.214 -14.105 1.00 1.22 H new ATOM 0 HG3 GLU A 67 15.380 9.566 -13.103 1.00 1.22 H new ATOM 1097 N GLY A 68 20.009 7.632 -13.865 1.00 0.36 N ATOM 1098 CA GLY A 68 21.338 7.465 -14.424 1.00 0.36 C ATOM 1099 C GLY A 68 22.300 8.556 -13.993 1.00 0.30 C ATOM 1100 O GLY A 68 23.458 8.570 -14.407 1.00 0.35 O ATOM 0 H GLY A 68 19.929 7.400 -12.875 1.00 0.36 H new ATOM 0 HA2 GLY A 68 21.735 6.496 -14.121 1.00 0.36 H new ATOM 0 HA3 GLY A 68 21.271 7.456 -15.512 1.00 0.36 H new ATOM 1104 N GLN A 69 21.831 9.463 -13.152 1.00 0.24 N ATOM 1105 CA GLN A 69 22.660 10.560 -12.679 1.00 0.23 C ATOM 1106 C GLN A 69 23.202 10.241 -11.292 1.00 0.19 C ATOM 1107 O GLN A 69 22.440 10.112 -10.339 1.00 0.18 O ATOM 1108 CB GLN A 69 21.851 11.865 -12.666 1.00 0.25 C ATOM 1109 CG GLN A 69 22.596 13.058 -12.102 1.00 0.26 C ATOM 1110 CD GLN A 69 22.075 13.412 -10.733 1.00 0.35 C ATOM 1111 OE1 GLN A 69 21.172 14.230 -10.590 1.00 0.83 O ATOM 1112 NE2 GLN A 69 22.624 12.771 -9.724 1.00 0.31 N ATOM 0 H GLN A 69 20.880 9.462 -12.783 1.00 0.24 H new ATOM 0 HA GLN A 69 23.504 10.690 -13.356 1.00 0.23 H new ATOM 0 HB2 GLN A 69 21.539 12.095 -13.685 1.00 0.25 H new ATOM 0 HB3 GLN A 69 20.943 11.710 -12.083 1.00 0.25 H new ATOM 0 HG2 GLN A 69 23.661 12.834 -12.045 1.00 0.26 H new ATOM 0 HG3 GLN A 69 22.485 13.912 -12.771 1.00 0.26 H new ATOM 0 HE21 GLN A 69 23.373 12.099 -9.893 1.00 0.31 H new ATOM 0 HE22 GLN A 69 22.301 12.946 -8.772 1.00 0.31 H new ATOM 1121 N ARG A 70 24.517 10.105 -11.196 1.00 0.21 N ATOM 1122 CA ARG A 70 25.187 9.791 -9.933 1.00 0.20 C ATOM 1123 C ARG A 70 24.849 10.808 -8.850 1.00 0.18 C ATOM 1124 O ARG A 70 25.211 11.977 -8.961 1.00 0.21 O ATOM 1125 CB ARG A 70 26.700 9.769 -10.142 1.00 0.26 C ATOM 1126 CG ARG A 70 27.322 8.401 -9.951 1.00 0.83 C ATOM 1127 CD ARG A 70 27.137 7.896 -8.534 1.00 0.50 C ATOM 1128 NE ARG A 70 27.862 8.710 -7.556 1.00 0.89 N ATOM 1129 CZ ARG A 70 28.214 8.274 -6.351 1.00 1.15 C ATOM 1130 NH1 ARG A 70 27.885 7.045 -5.979 1.00 1.52 N ATOM 1131 NH2 ARG A 70 28.897 9.054 -5.530 1.00 1.64 N ATOM 0 H ARG A 70 25.152 10.208 -11.987 1.00 0.21 H new ATOM 0 HA ARG A 70 24.836 8.812 -9.607 1.00 0.20 H new ATOM 0 HB2 ARG A 70 26.924 10.123 -11.148 1.00 0.26 H new ATOM 0 HB3 ARG A 70 27.164 10.469 -9.447 1.00 0.26 H new ATOM 0 HG2 ARG A 70 26.873 7.696 -10.651 1.00 0.83 H new ATOM 0 HG3 ARG A 70 28.386 8.449 -10.185 1.00 0.83 H new ATOM 0 HD2 ARG A 70 26.075 7.894 -8.287 1.00 0.50 H new ATOM 0 HD3 ARG A 70 27.481 6.864 -8.471 1.00 0.50 H new ATOM 0 HE ARG A 70 28.111 9.665 -7.814 1.00 0.89 H new ATOM 0 HH11 ARG A 70 27.365 6.441 -6.616 1.00 1.52 H new ATOM 0 HH12 ARG A 70 28.152 6.703 -5.056 1.00 1.52 H new ATOM 0 HH21 ARG A 70 29.157 9.997 -5.820 1.00 1.64 H new ATOM 0 HH22 ARG A 70 29.164 8.713 -4.607 1.00 1.64 H new ATOM 1145 N ILE A 71 24.158 10.364 -7.808 1.00 0.16 N ATOM 1146 CA ILE A 71 23.827 11.241 -6.692 1.00 0.14 C ATOM 1147 C ILE A 71 25.057 11.475 -5.829 1.00 0.16 C ATOM 1148 O ILE A 71 25.706 10.524 -5.384 1.00 0.17 O ATOM 1149 CB ILE A 71 22.686 10.662 -5.819 1.00 0.12 C ATOM 1150 CG1 ILE A 71 21.343 10.749 -6.547 1.00 0.13 C ATOM 1151 CG2 ILE A 71 22.598 11.384 -4.480 1.00 0.11 C ATOM 1152 CD1 ILE A 71 20.258 9.919 -5.901 1.00 0.15 C ATOM 0 H ILE A 71 23.817 9.407 -7.712 1.00 0.16 H new ATOM 0 HA ILE A 71 23.483 12.186 -7.112 1.00 0.14 H new ATOM 0 HB ILE A 71 22.917 9.613 -5.633 1.00 0.12 H new ATOM 0 HG12 ILE A 71 21.023 11.790 -6.581 1.00 0.13 H new ATOM 0 HG13 ILE A 71 21.475 10.423 -7.579 1.00 0.13 H new ATOM 0 HG21 ILE A 71 21.788 10.956 -3.889 1.00 0.11 H new ATOM 0 HG22 ILE A 71 23.539 11.270 -3.943 1.00 0.11 H new ATOM 0 HG23 ILE A 71 22.403 12.443 -4.650 1.00 0.11 H new ATOM 0 HD11 ILE A 71 19.333 10.026 -6.467 1.00 0.15 H new ATOM 0 HD12 ILE A 71 20.559 8.871 -5.891 1.00 0.15 H new ATOM 0 HD13 ILE A 71 20.099 10.260 -4.878 1.00 0.15 H new ATOM 1164 N ALA A 72 25.384 12.740 -5.612 1.00 0.19 N ATOM 1165 CA ALA A 72 26.502 13.097 -4.760 1.00 0.21 C ATOM 1166 C ALA A 72 26.026 13.255 -3.327 1.00 0.21 C ATOM 1167 O ALA A 72 24.864 13.609 -3.108 1.00 0.23 O ATOM 1168 CB ALA A 72 27.163 14.374 -5.246 1.00 0.23 C ATOM 0 H ALA A 72 24.889 13.535 -6.016 1.00 0.19 H new ATOM 0 HA ALA A 72 27.243 12.299 -4.801 1.00 0.21 H new ATOM 0 HB1 ALA A 72 27.999 14.623 -4.592 1.00 0.23 H new ATOM 0 HB2 ALA A 72 27.528 14.230 -6.263 1.00 0.23 H new ATOM 0 HB3 ALA A 72 26.437 15.187 -5.232 1.00 0.23 H new ATOM 1174 N ASP A 73 26.900 13.005 -2.366 1.00 0.28 N ATOM 1175 CA ASP A 73 26.502 12.937 -0.961 1.00 0.32 C ATOM 1176 C ASP A 73 25.763 14.197 -0.515 1.00 0.27 C ATOM 1177 O ASP A 73 24.722 14.137 0.146 1.00 0.32 O ATOM 1178 CB ASP A 73 27.736 12.777 -0.074 1.00 0.46 C ATOM 1179 CG ASP A 73 28.480 11.470 -0.288 1.00 1.53 C ATOM 1180 OD1 ASP A 73 28.872 11.175 -1.440 1.00 2.13 O ATOM 1181 OD2 ASP A 73 28.674 10.726 0.696 1.00 2.03 O ATOM 0 H ASP A 73 27.894 12.845 -2.529 1.00 0.28 H new ATOM 0 HA ASP A 73 25.836 12.080 -0.862 1.00 0.32 H new ATOM 0 HB2 ASP A 73 28.417 13.607 -0.262 1.00 0.46 H new ATOM 0 HB3 ASP A 73 27.432 12.844 0.971 1.00 0.46 H new ATOM 1186 N ASN A 74 26.267 15.336 -0.954 1.00 0.27 N ATOM 1187 CA ASN A 74 25.733 16.623 -0.526 1.00 0.28 C ATOM 1188 C ASN A 74 24.708 17.164 -1.510 1.00 0.21 C ATOM 1189 O ASN A 74 24.299 18.317 -1.416 1.00 0.24 O ATOM 1190 CB ASN A 74 26.855 17.656 -0.329 1.00 0.37 C ATOM 1191 CG ASN A 74 27.851 17.731 -1.483 1.00 0.55 C ATOM 1192 OD1 ASN A 74 27.492 17.188 -2.637 1.00 0.90 O flip ATOM 1193 ND2 ASN A 74 28.958 18.239 -1.319 1.00 0.44 N flip ATOM 0 H ASN A 74 27.047 15.399 -1.608 1.00 0.27 H new ATOM 0 HA ASN A 74 25.237 16.453 0.430 1.00 0.28 H new ATOM 0 HB2 ASN A 74 26.406 18.639 -0.187 1.00 0.37 H new ATOM 0 HB3 ASN A 74 27.396 17.417 0.587 1.00 0.37 H new ATOM 0 HD21 ASN A 74 29.203 18.649 -0.417 1.00 0.44 H new ATOM 0 HD22 ASN A 74 29.632 18.251 -2.084 1.00 0.44 H new ATOM 1200 N HIS A 75 24.281 16.328 -2.440 1.00 0.15 N ATOM 1201 CA HIS A 75 23.331 16.750 -3.458 1.00 0.12 C ATOM 1202 C HIS A 75 21.920 16.355 -3.066 1.00 0.12 C ATOM 1203 O HIS A 75 21.726 15.370 -2.370 1.00 0.15 O ATOM 1204 CB HIS A 75 23.719 16.184 -4.820 1.00 0.12 C ATOM 1205 CG HIS A 75 24.645 17.094 -5.576 1.00 0.18 C ATOM 1206 ND1 HIS A 75 25.287 16.735 -6.742 1.00 1.12 N ATOM 1207 CD2 HIS A 75 25.035 18.364 -5.317 1.00 1.02 C ATOM 1208 CE1 HIS A 75 26.027 17.745 -7.162 1.00 0.85 C ATOM 1209 NE2 HIS A 75 25.893 18.743 -6.314 1.00 0.58 N ATOM 0 H HIS A 75 24.576 15.354 -2.513 1.00 0.15 H new ATOM 0 HA HIS A 75 23.358 17.837 -3.535 1.00 0.12 H new ATOM 0 HB2 HIS A 75 24.198 15.214 -4.684 1.00 0.12 H new ATOM 0 HB3 HIS A 75 22.818 16.015 -5.410 1.00 0.12 H new ATOM 0 HD2 HIS A 75 24.726 18.968 -4.477 1.00 1.02 H new ATOM 0 HE1 HIS A 75 26.639 17.751 -8.052 1.00 0.85 H new ATOM 0 HE2 HIS A 75 26.353 19.650 -6.388 1.00 0.58 H new ATOM 1218 N THR A 76 20.949 17.149 -3.491 1.00 0.12 N ATOM 1219 CA THR A 76 19.558 16.962 -3.103 1.00 0.12 C ATOM 1220 C THR A 76 18.677 17.009 -4.348 1.00 0.12 C ATOM 1221 O THR A 76 19.149 17.436 -5.403 1.00 0.14 O ATOM 1222 CB THR A 76 19.113 18.075 -2.133 1.00 0.14 C ATOM 1223 OG1 THR A 76 18.884 19.297 -2.847 1.00 0.16 O ATOM 1224 CG2 THR A 76 20.183 18.313 -1.077 1.00 0.14 C ATOM 0 H THR A 76 21.102 17.941 -4.115 1.00 0.12 H new ATOM 0 HA THR A 76 19.460 15.997 -2.606 1.00 0.12 H new ATOM 0 HB THR A 76 18.189 17.756 -1.651 1.00 0.14 H new ATOM 0 HG1 THR A 76 19.359 20.030 -2.402 1.00 0.16 H new ATOM 0 HG21 THR A 76 19.856 19.101 -0.399 1.00 0.14 H new ATOM 0 HG22 THR A 76 20.349 17.395 -0.513 1.00 0.14 H new ATOM 0 HG23 THR A 76 21.112 18.614 -1.562 1.00 0.14 H new ATOM 1232 N PRO A 77 17.404 16.595 -4.263 1.00 0.13 N ATOM 1233 CA PRO A 77 16.477 16.675 -5.397 1.00 0.16 C ATOM 1234 C PRO A 77 16.407 18.083 -5.983 1.00 0.16 C ATOM 1235 O PRO A 77 16.367 18.263 -7.201 1.00 0.18 O ATOM 1236 CB PRO A 77 15.122 16.267 -4.800 1.00 0.18 C ATOM 1237 CG PRO A 77 15.315 16.296 -3.321 1.00 0.26 C ATOM 1238 CD PRO A 77 16.762 15.999 -3.086 1.00 0.14 C ATOM 0 HA PRO A 77 16.791 16.036 -6.222 1.00 0.16 H new ATOM 0 HB2 PRO A 77 14.334 16.955 -5.107 1.00 0.18 H new ATOM 0 HB3 PRO A 77 14.827 15.274 -5.138 1.00 0.18 H new ATOM 0 HG2 PRO A 77 15.045 17.270 -2.912 1.00 0.26 H new ATOM 0 HG3 PRO A 77 14.681 15.557 -2.831 1.00 0.26 H new ATOM 0 HD2 PRO A 77 17.122 16.444 -2.158 1.00 0.14 H new ATOM 0 HD3 PRO A 77 16.951 14.928 -3.020 1.00 0.14 H new ATOM 1246 N LYS A 78 16.431 19.070 -5.100 1.00 0.17 N ATOM 1247 CA LYS A 78 16.382 20.473 -5.494 1.00 0.19 C ATOM 1248 C LYS A 78 17.529 20.789 -6.450 1.00 0.19 C ATOM 1249 O LYS A 78 17.337 21.417 -7.491 1.00 0.22 O ATOM 1250 CB LYS A 78 16.469 21.338 -4.223 1.00 0.22 C ATOM 1251 CG LYS A 78 16.253 22.838 -4.409 1.00 0.59 C ATOM 1252 CD LYS A 78 17.484 23.544 -4.972 1.00 0.48 C ATOM 1253 CE LYS A 78 18.722 23.309 -4.112 1.00 0.51 C ATOM 1254 NZ LYS A 78 19.946 23.893 -4.726 1.00 1.24 N ATOM 0 H LYS A 78 16.485 18.923 -4.092 1.00 0.17 H new ATOM 0 HA LYS A 78 15.449 20.688 -6.014 1.00 0.19 H new ATOM 0 HB2 LYS A 78 15.731 20.972 -3.509 1.00 0.22 H new ATOM 0 HB3 LYS A 78 17.450 21.187 -3.773 1.00 0.22 H new ATOM 0 HG2 LYS A 78 15.408 22.999 -5.079 1.00 0.59 H new ATOM 0 HG3 LYS A 78 15.989 23.285 -3.450 1.00 0.59 H new ATOM 0 HD2 LYS A 78 17.674 23.189 -5.985 1.00 0.48 H new ATOM 0 HD3 LYS A 78 17.288 24.614 -5.041 1.00 0.48 H new ATOM 0 HE2 LYS A 78 18.567 23.747 -3.126 1.00 0.51 H new ATOM 0 HE3 LYS A 78 18.865 22.238 -3.967 1.00 0.51 H new ATOM 0 HZ1 LYS A 78 20.780 23.611 -4.173 1.00 1.24 H new ATOM 0 HZ2 LYS A 78 20.044 23.547 -5.702 1.00 1.24 H new ATOM 0 HZ3 LYS A 78 19.870 24.930 -4.733 1.00 1.24 H new ATOM 1268 N GLU A 79 18.716 20.332 -6.086 1.00 0.16 N ATOM 1269 CA GLU A 79 19.918 20.592 -6.872 1.00 0.17 C ATOM 1270 C GLU A 79 19.923 19.785 -8.152 1.00 0.18 C ATOM 1271 O GLU A 79 20.298 20.276 -9.216 1.00 0.24 O ATOM 1272 CB GLU A 79 21.161 20.228 -6.082 1.00 0.18 C ATOM 1273 CG GLU A 79 21.049 20.528 -4.612 1.00 0.19 C ATOM 1274 CD GLU A 79 22.246 21.283 -4.089 1.00 0.46 C ATOM 1275 OE1 GLU A 79 23.229 20.639 -3.676 1.00 0.65 O ATOM 1276 OE2 GLU A 79 22.205 22.532 -4.099 1.00 0.71 O ATOM 0 H GLU A 79 18.876 19.775 -5.246 1.00 0.16 H new ATOM 0 HA GLU A 79 19.919 21.656 -7.111 1.00 0.17 H new ATOM 0 HB2 GLU A 79 21.367 19.166 -6.213 1.00 0.18 H new ATOM 0 HB3 GLU A 79 22.013 20.770 -6.491 1.00 0.18 H new ATOM 0 HG2 GLU A 79 20.146 21.111 -4.430 1.00 0.19 H new ATOM 0 HG3 GLU A 79 20.942 19.594 -4.060 1.00 0.19 H new ATOM 1283 N LEU A 80 19.528 18.530 -8.032 1.00 0.15 N ATOM 1284 CA LEU A 80 19.606 17.592 -9.144 1.00 0.17 C ATOM 1285 C LEU A 80 18.476 17.789 -10.154 1.00 0.20 C ATOM 1286 O LEU A 80 18.378 17.049 -11.133 1.00 0.28 O ATOM 1287 CB LEU A 80 19.593 16.163 -8.615 1.00 0.16 C ATOM 1288 CG LEU A 80 20.574 15.889 -7.473 1.00 0.13 C ATOM 1289 CD1 LEU A 80 20.637 14.413 -7.168 1.00 0.15 C ATOM 1290 CD2 LEU A 80 21.954 16.435 -7.787 1.00 0.13 C ATOM 0 H LEU A 80 19.148 18.133 -7.173 1.00 0.15 H new ATOM 0 HA LEU A 80 20.542 17.785 -9.669 1.00 0.17 H new ATOM 0 HB2 LEU A 80 18.585 15.927 -8.273 1.00 0.16 H new ATOM 0 HB3 LEU A 80 19.818 15.484 -9.438 1.00 0.16 H new ATOM 0 HG LEU A 80 20.208 16.407 -6.587 1.00 0.13 H new ATOM 0 HD11 LEU A 80 21.340 14.240 -6.353 1.00 0.15 H new ATOM 0 HD12 LEU A 80 19.648 14.059 -6.876 1.00 0.15 H new ATOM 0 HD13 LEU A 80 20.968 13.872 -8.054 1.00 0.15 H new ATOM 0 HD21 LEU A 80 22.627 16.224 -6.956 1.00 0.13 H new ATOM 0 HD22 LEU A 80 22.335 15.962 -8.692 1.00 0.13 H new ATOM 0 HD23 LEU A 80 21.893 17.513 -7.939 1.00 0.13 H new ATOM 1302 N GLY A 81 17.621 18.773 -9.915 1.00 0.21 N ATOM 1303 CA GLY A 81 16.571 19.076 -10.868 1.00 0.25 C ATOM 1304 C GLY A 81 15.427 18.094 -10.794 1.00 0.25 C ATOM 1305 O GLY A 81 14.684 17.909 -11.760 1.00 0.30 O ATOM 0 H GLY A 81 17.634 19.364 -9.084 1.00 0.21 H new ATOM 0 HA2 GLY A 81 16.195 20.082 -10.683 1.00 0.25 H new ATOM 0 HA3 GLY A 81 16.986 19.071 -11.876 1.00 0.25 H new ATOM 1309 N MET A 82 15.268 17.474 -9.639 1.00 0.22 N ATOM 1310 CA MET A 82 14.192 16.526 -9.433 1.00 0.26 C ATOM 1311 C MET A 82 13.115 17.158 -8.567 1.00 0.26 C ATOM 1312 O MET A 82 13.324 18.212 -7.965 1.00 0.31 O ATOM 1313 CB MET A 82 14.690 15.227 -8.785 1.00 0.36 C ATOM 1314 CG MET A 82 16.145 15.265 -8.344 1.00 0.42 C ATOM 1315 SD MET A 82 16.563 13.970 -7.158 1.00 1.25 S ATOM 1316 CE MET A 82 16.092 12.505 -8.063 1.00 1.17 C ATOM 0 H MET A 82 15.872 17.611 -8.829 1.00 0.22 H new ATOM 0 HA MET A 82 13.780 16.269 -10.409 1.00 0.26 H new ATOM 0 HB2 MET A 82 14.066 15.004 -7.920 1.00 0.36 H new ATOM 0 HB3 MET A 82 14.558 14.408 -9.492 1.00 0.36 H new ATOM 0 HG2 MET A 82 16.786 15.167 -9.220 1.00 0.42 H new ATOM 0 HG3 MET A 82 16.358 16.238 -7.900 1.00 0.42 H new ATOM 0 HE1 MET A 82 15.124 12.153 -7.706 1.00 1.17 H new ATOM 0 HE2 MET A 82 16.024 12.740 -9.125 1.00 1.17 H new ATOM 0 HE3 MET A 82 16.840 11.727 -7.911 1.00 1.17 H new ATOM 1326 N GLU A 83 11.990 16.488 -8.490 1.00 0.27 N ATOM 1327 CA GLU A 83 10.835 16.989 -7.771 1.00 0.31 C ATOM 1328 C GLU A 83 10.098 15.820 -7.155 1.00 0.24 C ATOM 1329 O GLU A 83 10.628 14.706 -7.117 1.00 0.25 O ATOM 1330 CB GLU A 83 9.913 17.805 -8.688 1.00 0.43 C ATOM 1331 CG GLU A 83 10.514 19.137 -9.116 1.00 1.32 C ATOM 1332 CD GLU A 83 9.536 20.013 -9.868 1.00 1.54 C ATOM 1333 OE1 GLU A 83 8.790 20.771 -9.217 1.00 2.04 O ATOM 1334 OE2 GLU A 83 9.505 19.940 -11.113 1.00 1.86 O ATOM 0 H GLU A 83 11.846 15.577 -8.925 1.00 0.27 H new ATOM 0 HA GLU A 83 11.169 17.663 -6.983 1.00 0.31 H new ATOM 0 HB2 GLU A 83 9.682 17.217 -9.576 1.00 0.43 H new ATOM 0 HB3 GLU A 83 8.970 17.989 -8.173 1.00 0.43 H new ATOM 0 HG2 GLU A 83 10.867 19.670 -8.233 1.00 1.32 H new ATOM 0 HG3 GLU A 83 11.385 18.951 -9.745 1.00 1.32 H new ATOM 1341 N GLU A 84 8.903 16.062 -6.651 1.00 0.22 N ATOM 1342 CA GLU A 84 8.124 14.999 -6.040 1.00 0.21 C ATOM 1343 C GLU A 84 7.922 13.818 -6.993 1.00 0.20 C ATOM 1344 O GLU A 84 7.512 13.974 -8.144 1.00 0.22 O ATOM 1345 CB GLU A 84 6.774 15.503 -5.527 1.00 0.23 C ATOM 1346 CG GLU A 84 6.037 14.451 -4.707 1.00 0.37 C ATOM 1347 CD GLU A 84 4.771 14.962 -4.057 1.00 0.75 C ATOM 1348 OE1 GLU A 84 4.220 15.978 -4.516 1.00 1.30 O ATOM 1349 OE2 GLU A 84 4.325 14.340 -3.069 1.00 1.20 O ATOM 0 H GLU A 84 8.452 16.977 -6.651 1.00 0.22 H new ATOM 0 HA GLU A 84 8.702 14.649 -5.185 1.00 0.21 H new ATOM 0 HB2 GLU A 84 6.929 16.393 -4.917 1.00 0.23 H new ATOM 0 HB3 GLU A 84 6.155 15.801 -6.373 1.00 0.23 H new ATOM 0 HG2 GLU A 84 5.789 13.609 -5.353 1.00 0.37 H new ATOM 0 HG3 GLU A 84 6.705 14.073 -3.933 1.00 0.37 H new ATOM 1356 N GLU A 85 8.275 12.657 -6.468 1.00 0.23 N ATOM 1357 CA GLU A 85 8.022 11.353 -7.077 1.00 0.25 C ATOM 1358 C GLU A 85 9.016 10.988 -8.181 1.00 0.23 C ATOM 1359 O GLU A 85 8.743 10.106 -8.993 1.00 0.26 O ATOM 1360 CB GLU A 85 6.576 11.247 -7.545 1.00 0.31 C ATOM 1361 CG GLU A 85 5.603 11.429 -6.395 1.00 0.66 C ATOM 1362 CD GLU A 85 4.181 11.070 -6.755 1.00 0.82 C ATOM 1363 OE1 GLU A 85 3.881 9.860 -6.826 1.00 1.17 O ATOM 1364 OE2 GLU A 85 3.353 11.985 -6.923 1.00 1.39 O ATOM 0 H GLU A 85 8.763 12.589 -5.575 1.00 0.23 H new ATOM 0 HA GLU A 85 8.183 10.609 -6.297 1.00 0.25 H new ATOM 0 HB2 GLU A 85 6.384 12.001 -8.308 1.00 0.31 H new ATOM 0 HB3 GLU A 85 6.414 10.274 -8.010 1.00 0.31 H new ATOM 0 HG2 GLU A 85 5.925 10.813 -5.555 1.00 0.66 H new ATOM 0 HG3 GLU A 85 5.635 12.466 -6.061 1.00 0.66 H new ATOM 1371 N ASP A 86 10.173 11.650 -8.204 1.00 0.19 N ATOM 1372 CA ASP A 86 11.224 11.296 -9.163 1.00 0.18 C ATOM 1373 C ASP A 86 11.843 9.948 -8.801 1.00 0.16 C ATOM 1374 O ASP A 86 11.820 9.539 -7.645 1.00 0.19 O ATOM 1375 CB ASP A 86 12.303 12.382 -9.242 1.00 0.21 C ATOM 1376 CG ASP A 86 12.044 13.364 -10.368 1.00 0.45 C ATOM 1377 OD1 ASP A 86 12.376 13.049 -11.529 1.00 0.79 O ATOM 1378 OD2 ASP A 86 11.508 14.455 -10.102 1.00 0.68 O ATOM 0 H ASP A 86 10.406 12.423 -7.581 1.00 0.19 H new ATOM 0 HA ASP A 86 10.764 11.217 -10.148 1.00 0.18 H new ATOM 0 HB2 ASP A 86 12.345 12.920 -8.295 1.00 0.21 H new ATOM 0 HB3 ASP A 86 13.277 11.915 -9.386 1.00 0.21 H new ATOM 1383 N VAL A 87 12.401 9.265 -9.791 1.00 0.16 N ATOM 1384 CA VAL A 87 12.894 7.905 -9.603 1.00 0.15 C ATOM 1385 C VAL A 87 14.420 7.878 -9.453 1.00 0.14 C ATOM 1386 O VAL A 87 15.150 8.580 -10.158 1.00 0.16 O ATOM 1387 CB VAL A 87 12.459 6.973 -10.767 1.00 0.19 C ATOM 1388 CG1 VAL A 87 13.045 7.426 -12.095 1.00 0.25 C ATOM 1389 CG2 VAL A 87 12.840 5.526 -10.481 1.00 0.23 C ATOM 0 H VAL A 87 12.524 9.630 -10.735 1.00 0.16 H new ATOM 0 HA VAL A 87 12.448 7.533 -8.680 1.00 0.15 H new ATOM 0 HB VAL A 87 11.373 7.035 -10.843 1.00 0.19 H new ATOM 0 HG11 VAL A 87 12.719 6.750 -12.886 1.00 0.25 H new ATOM 0 HG12 VAL A 87 12.703 8.437 -12.318 1.00 0.25 H new ATOM 0 HG13 VAL A 87 14.133 7.416 -12.035 1.00 0.25 H new ATOM 0 HG21 VAL A 87 12.524 4.895 -11.312 1.00 0.23 H new ATOM 0 HG22 VAL A 87 13.921 5.451 -10.360 1.00 0.23 H new ATOM 0 HG23 VAL A 87 12.349 5.194 -9.566 1.00 0.23 H new ATOM 1399 N ILE A 88 14.882 7.067 -8.514 1.00 0.12 N ATOM 1400 CA ILE A 88 16.298 6.891 -8.242 1.00 0.12 C ATOM 1401 C ILE A 88 16.655 5.405 -8.254 1.00 0.12 C ATOM 1402 O ILE A 88 16.009 4.594 -7.594 1.00 0.16 O ATOM 1403 CB ILE A 88 16.681 7.536 -6.888 1.00 0.13 C ATOM 1404 CG1 ILE A 88 16.689 9.062 -7.024 1.00 0.16 C ATOM 1405 CG2 ILE A 88 18.032 7.031 -6.396 1.00 0.14 C ATOM 1406 CD1 ILE A 88 16.733 9.790 -5.698 1.00 0.20 C ATOM 0 H ILE A 88 14.277 6.507 -7.913 1.00 0.12 H new ATOM 0 HA ILE A 88 16.867 7.392 -9.025 1.00 0.12 H new ATOM 0 HB ILE A 88 15.935 7.249 -6.147 1.00 0.13 H new ATOM 0 HG12 ILE A 88 17.551 9.360 -7.621 1.00 0.16 H new ATOM 0 HG13 ILE A 88 15.799 9.374 -7.571 1.00 0.16 H new ATOM 0 HG21 ILE A 88 18.272 7.503 -5.443 1.00 0.14 H new ATOM 0 HG22 ILE A 88 17.991 5.950 -6.265 1.00 0.14 H new ATOM 0 HG23 ILE A 88 18.801 7.279 -7.127 1.00 0.14 H new ATOM 0 HD11 ILE A 88 16.736 10.866 -5.873 1.00 0.20 H new ATOM 0 HD12 ILE A 88 15.858 9.522 -5.106 1.00 0.20 H new ATOM 0 HD13 ILE A 88 17.637 9.508 -5.158 1.00 0.20 H new ATOM 1418 N GLU A 89 17.677 5.056 -9.018 1.00 0.11 N ATOM 1419 CA GLU A 89 18.051 3.665 -9.217 1.00 0.11 C ATOM 1420 C GLU A 89 19.342 3.352 -8.467 1.00 0.11 C ATOM 1421 O GLU A 89 20.206 4.218 -8.318 1.00 0.13 O ATOM 1422 CB GLU A 89 18.223 3.390 -10.713 1.00 0.16 C ATOM 1423 CG GLU A 89 16.994 3.748 -11.537 1.00 0.26 C ATOM 1424 CD GLU A 89 17.216 3.607 -13.028 1.00 0.74 C ATOM 1425 OE1 GLU A 89 17.884 4.482 -13.617 1.00 0.94 O ATOM 1426 OE2 GLU A 89 16.735 2.616 -13.617 1.00 1.35 O ATOM 0 H GLU A 89 18.267 5.723 -9.515 1.00 0.11 H new ATOM 0 HA GLU A 89 17.263 3.022 -8.825 1.00 0.11 H new ATOM 0 HB2 GLU A 89 19.078 3.956 -11.083 1.00 0.16 H new ATOM 0 HB3 GLU A 89 18.453 2.334 -10.857 1.00 0.16 H new ATOM 0 HG2 GLU A 89 16.164 3.108 -11.237 1.00 0.26 H new ATOM 0 HG3 GLU A 89 16.701 4.774 -11.315 1.00 0.26 H new ATOM 1433 N VAL A 90 19.455 2.123 -7.986 1.00 0.10 N ATOM 1434 CA VAL A 90 20.615 1.690 -7.232 1.00 0.11 C ATOM 1435 C VAL A 90 21.532 0.823 -8.082 1.00 0.10 C ATOM 1436 O VAL A 90 21.084 -0.064 -8.813 1.00 0.12 O ATOM 1437 CB VAL A 90 20.192 0.927 -5.952 1.00 0.12 C ATOM 1438 CG1 VAL A 90 21.289 0.000 -5.462 1.00 0.12 C ATOM 1439 CG2 VAL A 90 19.818 1.904 -4.854 1.00 0.15 C ATOM 0 H VAL A 90 18.745 1.401 -8.109 1.00 0.10 H new ATOM 0 HA VAL A 90 21.165 2.583 -6.937 1.00 0.11 H new ATOM 0 HB VAL A 90 19.325 0.318 -6.207 1.00 0.12 H new ATOM 0 HG11 VAL A 90 20.954 -0.517 -4.563 1.00 0.12 H new ATOM 0 HG12 VAL A 90 21.520 -0.732 -6.236 1.00 0.12 H new ATOM 0 HG13 VAL A 90 22.182 0.582 -5.234 1.00 0.12 H new ATOM 0 HG21 VAL A 90 19.523 1.353 -3.961 1.00 0.15 H new ATOM 0 HG22 VAL A 90 20.675 2.537 -4.623 1.00 0.15 H new ATOM 0 HG23 VAL A 90 18.987 2.526 -5.188 1.00 0.15 H new ATOM 1449 N TYR A 91 22.814 1.112 -7.979 1.00 0.12 N ATOM 1450 CA TYR A 91 23.860 0.334 -8.624 1.00 0.14 C ATOM 1451 C TYR A 91 25.002 0.165 -7.629 1.00 0.14 C ATOM 1452 O TYR A 91 24.967 0.749 -6.553 1.00 0.20 O ATOM 1453 CB TYR A 91 24.358 1.020 -9.900 1.00 0.17 C ATOM 1454 CG TYR A 91 23.300 1.180 -10.966 1.00 0.19 C ATOM 1455 CD1 TYR A 91 22.934 0.109 -11.761 1.00 0.43 C ATOM 1456 CD2 TYR A 91 22.667 2.398 -11.173 1.00 0.26 C ATOM 1457 CE1 TYR A 91 21.970 0.235 -12.739 1.00 0.49 C ATOM 1458 CE2 TYR A 91 21.701 2.538 -12.149 1.00 0.25 C ATOM 1459 CZ TYR A 91 21.364 1.502 -12.933 1.00 0.30 C ATOM 1460 OH TYR A 91 20.389 1.594 -13.898 1.00 0.36 O ATOM 0 H TYR A 91 23.166 1.903 -7.439 1.00 0.12 H new ATOM 0 HA TYR A 91 23.464 -0.638 -8.918 1.00 0.14 H new ATOM 0 HB2 TYR A 91 24.750 2.004 -9.642 1.00 0.17 H new ATOM 0 HB3 TYR A 91 25.187 0.444 -10.310 1.00 0.17 H new ATOM 0 HD1 TYR A 91 23.414 -0.847 -11.613 1.00 0.43 H new ATOM 0 HD2 TYR A 91 22.934 3.248 -10.562 1.00 0.26 H new ATOM 0 HE1 TYR A 91 21.683 -0.613 -13.344 1.00 0.49 H new ATOM 0 HE2 TYR A 91 21.211 3.491 -12.283 1.00 0.25 H new ATOM 0 HH TYR A 91 20.050 2.513 -13.934 1.00 0.36 H new ATOM 1470 N GLN A 92 25.994 -0.641 -7.960 1.00 0.19 N ATOM 1471 CA GLN A 92 27.084 -0.915 -7.032 1.00 0.21 C ATOM 1472 C GLN A 92 28.230 0.078 -7.223 1.00 0.23 C ATOM 1473 O GLN A 92 28.733 0.252 -8.332 1.00 0.26 O ATOM 1474 CB GLN A 92 27.582 -2.347 -7.220 1.00 0.27 C ATOM 1475 CG GLN A 92 27.850 -3.053 -5.908 1.00 0.24 C ATOM 1476 CD GLN A 92 26.973 -4.274 -5.710 1.00 0.36 C ATOM 1477 OE1 GLN A 92 25.812 -4.070 -5.107 1.00 0.37 O flip ATOM 1478 NE2 GLN A 92 27.337 -5.385 -6.091 1.00 0.68 N flip ATOM 0 H GLN A 92 26.071 -1.117 -8.859 1.00 0.19 H new ATOM 0 HA GLN A 92 26.707 -0.801 -6.016 1.00 0.21 H new ATOM 0 HB2 GLN A 92 26.842 -2.912 -7.787 1.00 0.27 H new ATOM 0 HB3 GLN A 92 28.496 -2.334 -7.813 1.00 0.27 H new ATOM 0 HG2 GLN A 92 28.897 -3.353 -5.869 1.00 0.24 H new ATOM 0 HG3 GLN A 92 27.687 -2.357 -5.086 1.00 0.24 H new ATOM 0 HE21 GLN A 92 28.240 -5.496 -6.551 1.00 0.68 H new ATOM 0 HE22 GLN A 92 26.735 -6.196 -5.947 1.00 0.68 H new ATOM 1487 N GLU A 93 28.620 0.740 -6.132 1.00 0.25 N ATOM 1488 CA GLU A 93 29.694 1.722 -6.153 1.00 0.28 C ATOM 1489 C GLU A 93 31.058 1.046 -6.214 1.00 0.32 C ATOM 1490 O GLU A 93 31.834 1.281 -7.138 1.00 0.35 O ATOM 1491 CB GLU A 93 29.601 2.606 -4.911 1.00 0.29 C ATOM 1492 CG GLU A 93 29.442 4.063 -5.255 1.00 0.42 C ATOM 1493 CD GLU A 93 29.172 4.962 -4.063 1.00 1.03 C ATOM 1494 OE1 GLU A 93 30.107 5.218 -3.281 1.00 1.25 O ATOM 1495 OE2 GLU A 93 28.029 5.466 -3.937 1.00 1.79 O ATOM 0 H GLU A 93 28.198 0.607 -5.213 1.00 0.25 H new ATOM 0 HA GLU A 93 29.584 2.335 -7.048 1.00 0.28 H new ATOM 0 HB2 GLU A 93 28.756 2.285 -4.302 1.00 0.29 H new ATOM 0 HB3 GLU A 93 30.498 2.474 -4.306 1.00 0.29 H new ATOM 0 HG2 GLU A 93 30.347 4.406 -5.756 1.00 0.42 H new ATOM 0 HG3 GLU A 93 28.624 4.169 -5.967 1.00 0.42 H new ATOM 1502 N GLN A 94 31.345 0.212 -5.228 1.00 0.40 N ATOM 1503 CA GLN A 94 32.564 -0.582 -5.226 1.00 0.44 C ATOM 1504 C GLN A 94 32.184 -2.046 -5.120 1.00 0.42 C ATOM 1505 O GLN A 94 31.026 -2.396 -5.354 1.00 0.48 O ATOM 1506 CB GLN A 94 33.488 -0.190 -4.069 1.00 0.49 C ATOM 1507 CG GLN A 94 33.775 1.299 -3.979 1.00 0.82 C ATOM 1508 CD GLN A 94 35.030 1.622 -3.187 1.00 1.24 C ATOM 1509 OE1 GLN A 94 35.399 0.752 -2.258 1.00 1.90 O flip ATOM 1510 NE2 GLN A 94 35.675 2.641 -3.420 1.00 1.95 N flip ATOM 0 H GLN A 94 30.747 0.067 -4.414 1.00 0.40 H new ATOM 0 HA GLN A 94 33.109 -0.398 -6.152 1.00 0.44 H new ATOM 0 HB2 GLN A 94 33.039 -0.519 -3.132 1.00 0.49 H new ATOM 0 HB3 GLN A 94 34.432 -0.725 -4.175 1.00 0.49 H new ATOM 0 HG2 GLN A 94 33.875 1.704 -4.986 1.00 0.82 H new ATOM 0 HG3 GLN A 94 32.924 1.799 -3.517 1.00 0.82 H new ATOM 0 HE21 GLN A 94 35.361 3.289 -4.143 1.00 1.95 H new ATOM 0 HE22 GLN A 94 36.524 2.839 -2.891 1.00 1.95 H new ATOM 1519 N THR A 95 33.137 -2.902 -4.792 1.00 0.44 N ATOM 1520 CA THR A 95 32.844 -4.309 -4.590 1.00 0.52 C ATOM 1521 C THR A 95 31.920 -4.501 -3.385 1.00 0.47 C ATOM 1522 O THR A 95 31.716 -3.572 -2.592 1.00 0.57 O ATOM 1523 CB THR A 95 34.140 -5.130 -4.403 1.00 0.72 C ATOM 1524 OG1 THR A 95 33.847 -6.530 -4.453 1.00 1.17 O ATOM 1525 CG2 THR A 95 34.820 -4.805 -3.081 1.00 0.80 C ATOM 0 H THR A 95 34.116 -2.648 -4.661 1.00 0.44 H new ATOM 0 HA THR A 95 32.337 -4.672 -5.484 1.00 0.52 H new ATOM 0 HB THR A 95 34.818 -4.865 -5.214 1.00 0.72 H new ATOM 0 HG1 THR A 95 34.674 -7.042 -4.335 1.00 1.17 H new ATOM 0 HG21 THR A 95 35.728 -5.400 -2.983 1.00 0.80 H new ATOM 0 HG22 THR A 95 35.076 -3.746 -3.054 1.00 0.80 H new ATOM 0 HG23 THR A 95 34.144 -5.036 -2.258 1.00 0.80 H new ATOM 1533 N GLY A 96 31.340 -5.690 -3.276 1.00 0.59 N ATOM 1534 CA GLY A 96 30.458 -5.996 -2.167 1.00 0.65 C ATOM 1535 C GLY A 96 31.103 -5.763 -0.814 1.00 0.72 C ATOM 1536 O GLY A 96 32.329 -5.840 -0.669 1.00 0.99 O ATOM 0 H GLY A 96 31.467 -6.453 -3.941 1.00 0.59 H new ATOM 0 HA2 GLY A 96 29.560 -5.384 -2.245 1.00 0.65 H new ATOM 0 HA3 GLY A 96 30.142 -7.037 -2.238 1.00 0.65 H new ATOM 1540 N GLY A 97 30.276 -5.491 0.181 1.00 0.82 N ATOM 1541 CA GLY A 97 30.779 -5.188 1.500 1.00 1.11 C ATOM 1542 C GLY A 97 30.591 -6.348 2.447 1.00 1.32 C ATOM 1543 O GLY A 97 31.507 -7.187 2.553 1.00 1.74 O ATOM 1544 OXT GLY A 97 29.520 -6.436 3.070 1.00 1.79 O ATOM 0 H GLY A 97 29.260 -5.475 0.097 1.00 0.82 H new ATOM 0 HA2 GLY A 97 31.838 -4.937 1.437 1.00 1.11 H new ATOM 0 HA3 GLY A 97 30.266 -4.310 1.893 1.00 1.11 H new TER 1548 GLY A 97 ATOM 1549 N LYS B 721 7.079 -34.946 -10.358 1.00 23.34 N ATOM 1550 CA LYS B 721 5.737 -34.573 -9.859 1.00 23.33 C ATOM 1551 C LYS B 721 5.817 -33.878 -8.507 1.00 22.27 C ATOM 1552 O LYS B 721 4.809 -33.730 -7.815 1.00 22.01 O ATOM 1553 CB LYS B 721 4.856 -35.810 -9.730 1.00 23.86 C ATOM 1554 CG LYS B 721 4.290 -36.292 -11.052 1.00 24.92 C ATOM 1555 CD LYS B 721 3.220 -37.350 -10.838 1.00 25.37 C ATOM 1556 CE LYS B 721 3.796 -38.604 -10.200 1.00 26.01 C ATOM 1557 NZ LYS B 721 2.733 -39.482 -9.652 1.00 26.46 N ATOM 0 HA LYS B 721 5.303 -33.882 -10.582 1.00 23.33 H new ATOM 0 HB2 LYS B 721 5.437 -36.614 -9.278 1.00 23.86 H new ATOM 0 HB3 LYS B 721 4.033 -35.590 -9.050 1.00 23.86 H new ATOM 0 HG2 LYS B 721 3.868 -35.449 -11.599 1.00 24.92 H new ATOM 0 HG3 LYS B 721 5.092 -36.701 -11.667 1.00 24.92 H new ATOM 0 HD2 LYS B 721 2.431 -36.947 -10.203 1.00 25.37 H new ATOM 0 HD3 LYS B 721 2.762 -37.604 -11.794 1.00 25.37 H new ATOM 0 HE2 LYS B 721 4.376 -39.155 -10.940 1.00 26.01 H new ATOM 0 HE3 LYS B 721 4.483 -38.323 -9.402 1.00 26.01 H new ATOM 0 HZ1 LYS B 721 3.166 -40.326 -9.226 1.00 26.46 H new ATOM 0 HZ2 LYS B 721 2.195 -38.965 -8.927 1.00 26.46 H new ATOM 0 HZ3 LYS B 721 2.092 -39.771 -10.418 1.00 26.46 H new ATOM 1571 N THR B 722 7.010 -33.463 -8.122 1.00 21.74 N ATOM 1572 CA THR B 722 7.206 -32.824 -6.837 1.00 20.74 C ATOM 1573 C THR B 722 7.508 -31.340 -7.008 1.00 19.93 C ATOM 1574 O THR B 722 8.201 -30.941 -7.944 1.00 20.05 O ATOM 1575 CB THR B 722 8.333 -33.522 -6.053 1.00 20.58 C ATOM 1576 OG1 THR B 722 9.525 -33.582 -6.849 1.00 20.45 O ATOM 1577 CG2 THR B 722 7.904 -34.929 -5.658 1.00 21.21 C ATOM 0 H THR B 722 7.857 -33.558 -8.682 1.00 21.74 H new ATOM 0 HA THR B 722 6.282 -32.916 -6.267 1.00 20.74 H new ATOM 0 HB THR B 722 8.538 -32.947 -5.150 1.00 20.58 H new ATOM 0 HG1 THR B 722 10.236 -34.026 -6.341 1.00 20.45 H new ATOM 0 HG21 THR B 722 8.709 -35.413 -5.104 1.00 21.21 H new ATOM 0 HG22 THR B 722 7.014 -34.876 -5.032 1.00 21.21 H new ATOM 0 HG23 THR B 722 7.682 -35.507 -6.555 1.00 21.21 H new ATOM 1585 N SER B 723 6.971 -30.528 -6.114 1.00 19.19 N ATOM 1586 CA SER B 723 7.140 -29.086 -6.196 1.00 18.40 C ATOM 1587 C SER B 723 7.801 -28.555 -4.931 1.00 17.37 C ATOM 1588 O SER B 723 7.617 -29.108 -3.845 1.00 17.20 O ATOM 1589 CB SER B 723 5.780 -28.414 -6.393 1.00 18.37 C ATOM 1590 OG SER B 723 4.991 -29.121 -7.342 1.00 18.76 O ATOM 0 H SER B 723 6.413 -30.843 -5.321 1.00 19.19 H new ATOM 0 HA SER B 723 7.781 -28.857 -7.047 1.00 18.40 H new ATOM 0 HB2 SER B 723 5.253 -28.367 -5.440 1.00 18.37 H new ATOM 0 HB3 SER B 723 5.924 -27.387 -6.728 1.00 18.37 H new ATOM 0 HG SER B 723 4.126 -28.672 -7.448 1.00 18.76 H new ATOM 1596 N VAL B 724 8.588 -27.502 -5.077 1.00 16.76 N ATOM 1597 CA VAL B 724 9.179 -26.831 -3.931 1.00 15.78 C ATOM 1598 C VAL B 724 8.497 -25.480 -3.731 1.00 14.88 C ATOM 1599 O VAL B 724 8.107 -24.824 -4.700 1.00 15.05 O ATOM 1600 CB VAL B 724 10.707 -26.642 -4.109 1.00 15.85 C ATOM 1601 CG1 VAL B 724 11.020 -25.727 -5.285 1.00 15.86 C ATOM 1602 CG2 VAL B 724 11.344 -26.116 -2.827 1.00 15.16 C ATOM 0 H VAL B 724 8.833 -27.093 -5.979 1.00 16.76 H new ATOM 0 HA VAL B 724 9.028 -27.454 -3.049 1.00 15.78 H new ATOM 0 HB VAL B 724 11.137 -27.620 -4.326 1.00 15.85 H new ATOM 0 HG11 VAL B 724 12.100 -25.616 -5.382 1.00 15.86 H new ATOM 0 HG12 VAL B 724 10.616 -26.160 -6.200 1.00 15.86 H new ATOM 0 HG13 VAL B 724 10.568 -24.750 -5.116 1.00 15.86 H new ATOM 0 HG21 VAL B 724 12.416 -25.992 -2.978 1.00 15.16 H new ATOM 0 HG22 VAL B 724 10.900 -25.155 -2.568 1.00 15.16 H new ATOM 0 HG23 VAL B 724 11.171 -26.825 -2.017 1.00 15.16 H new ATOM 1612 N ALA B 725 8.320 -25.072 -2.484 1.00 14.05 N ATOM 1613 CA ALA B 725 7.654 -23.818 -2.191 1.00 13.23 C ATOM 1614 C ALA B 725 8.643 -22.665 -2.244 1.00 12.42 C ATOM 1615 O ALA B 725 9.748 -22.754 -1.708 1.00 12.30 O ATOM 1616 CB ALA B 725 6.984 -23.885 -0.830 1.00 12.89 C ATOM 0 H ALA B 725 8.628 -25.591 -1.662 1.00 14.05 H new ATOM 0 HA ALA B 725 6.888 -23.646 -2.947 1.00 13.23 H new ATOM 0 HB1 ALA B 725 6.487 -22.937 -0.622 1.00 12.89 H new ATOM 0 HB2 ALA B 725 6.248 -24.689 -0.826 1.00 12.89 H new ATOM 0 HB3 ALA B 725 7.735 -24.077 -0.064 1.00 12.89 H new ATOM 1622 N THR B 726 8.237 -21.589 -2.896 1.00 11.98 N ATOM 1623 CA THR B 726 9.075 -20.414 -3.049 1.00 11.24 C ATOM 1624 C THR B 726 8.644 -19.337 -2.060 1.00 10.08 C ATOM 1625 O THR B 726 7.447 -19.151 -1.833 1.00 9.86 O ATOM 1626 CB THR B 726 8.971 -19.869 -4.488 1.00 11.44 C ATOM 1627 OG1 THR B 726 9.115 -20.952 -5.416 1.00 12.47 O ATOM 1628 CG2 THR B 726 10.039 -18.818 -4.760 1.00 10.81 C ATOM 0 H THR B 726 7.319 -21.506 -3.333 1.00 11.98 H new ATOM 0 HA THR B 726 10.110 -20.693 -2.850 1.00 11.24 H new ATOM 0 HB THR B 726 7.995 -19.399 -4.608 1.00 11.44 H new ATOM 0 HG1 THR B 726 9.048 -20.609 -6.332 1.00 12.47 H new ATOM 0 HG21 THR B 726 9.939 -18.454 -5.782 1.00 10.81 H new ATOM 0 HG22 THR B 726 9.917 -17.987 -4.065 1.00 10.81 H new ATOM 0 HG23 THR B 726 11.027 -19.260 -4.627 1.00 10.81 H new ATOM 1636 N GLN B 727 9.596 -18.632 -1.466 1.00 9.47 N ATOM 1637 CA GLN B 727 9.258 -17.534 -0.575 1.00 8.43 C ATOM 1638 C GLN B 727 9.705 -16.207 -1.172 1.00 7.65 C ATOM 1639 O GLN B 727 10.792 -16.096 -1.738 1.00 7.99 O ATOM 1640 CB GLN B 727 9.879 -17.717 0.814 1.00 8.39 C ATOM 1641 CG GLN B 727 11.374 -17.461 0.851 1.00 8.72 C ATOM 1642 CD GLN B 727 11.881 -17.183 2.252 1.00 8.93 C ATOM 1643 OE1 GLN B 727 11.902 -16.036 2.700 1.00 8.98 O ATOM 1644 NE2 GLN B 727 12.306 -18.221 2.950 1.00 9.30 N ATOM 0 H GLN B 727 10.596 -18.798 -1.583 1.00 9.47 H new ATOM 0 HA GLN B 727 8.174 -17.531 -0.460 1.00 8.43 H new ATOM 0 HB2 GLN B 727 9.386 -17.043 1.514 1.00 8.39 H new ATOM 0 HB3 GLN B 727 9.684 -18.733 1.159 1.00 8.39 H new ATOM 0 HG2 GLN B 727 11.898 -18.326 0.444 1.00 8.72 H new ATOM 0 HG3 GLN B 727 11.610 -16.613 0.208 1.00 8.72 H new ATOM 0 HE21 GLN B 727 12.273 -19.156 2.545 1.00 9.30 H new ATOM 0 HE22 GLN B 727 12.667 -18.087 3.894 1.00 9.30 H new ATOM 1653 N CYS B 728 8.851 -15.213 -1.051 1.00 6.74 N ATOM 1654 CA CYS B 728 9.157 -13.881 -1.525 1.00 6.01 C ATOM 1655 C CYS B 728 8.981 -12.879 -0.395 1.00 5.23 C ATOM 1656 O CYS B 728 8.205 -13.119 0.535 1.00 5.13 O ATOM 1657 CB CYS B 728 8.262 -13.543 -2.712 1.00 5.72 C ATOM 1658 SG CYS B 728 6.503 -13.844 -2.416 1.00 5.93 S ATOM 0 H CYS B 728 7.930 -15.305 -0.623 1.00 6.74 H new ATOM 0 HA CYS B 728 10.194 -13.836 -1.857 1.00 6.01 H new ATOM 0 HB2 CYS B 728 8.402 -12.494 -2.972 1.00 5.72 H new ATOM 0 HB3 CYS B 728 8.581 -14.130 -3.573 1.00 5.72 H new ATOM 0 HG CYS B 728 5.824 -13.526 -3.478 1.00 5.93 H new ATOM 1664 N ASP B 729 9.692 -11.764 -0.466 1.00 4.88 N ATOM 1665 CA ASP B 729 9.662 -10.793 0.618 1.00 4.30 C ATOM 1666 C ASP B 729 9.630 -9.375 0.073 1.00 3.24 C ATOM 1667 O ASP B 729 10.320 -9.047 -0.894 1.00 3.27 O ATOM 1668 CB ASP B 729 10.882 -10.942 1.517 1.00 4.94 C ATOM 1669 CG ASP B 729 10.611 -10.545 2.953 1.00 5.81 C ATOM 1670 OD1 ASP B 729 10.085 -11.383 3.715 1.00 6.15 O ATOM 1671 OD2 ASP B 729 10.901 -9.388 3.320 1.00 6.40 O ATOM 0 H ASP B 729 10.290 -11.510 -1.252 1.00 4.88 H new ATOM 0 HA ASP B 729 8.758 -10.983 1.197 1.00 4.30 H new ATOM 0 HB2 ASP B 729 11.222 -11.977 1.490 1.00 4.94 H new ATOM 0 HB3 ASP B 729 11.693 -10.330 1.123 1.00 4.94 H new ATOM 1676 N PRO B 730 8.804 -8.535 0.680 1.00 2.69 N ATOM 1677 CA PRO B 730 8.752 -7.115 0.398 1.00 1.98 C ATOM 1678 C PRO B 730 9.714 -6.335 1.284 1.00 1.62 C ATOM 1679 O PRO B 730 9.507 -6.210 2.492 1.00 1.76 O ATOM 1680 CB PRO B 730 7.323 -6.772 0.758 1.00 2.46 C ATOM 1681 CG PRO B 730 7.021 -7.666 1.913 1.00 3.15 C ATOM 1682 CD PRO B 730 7.828 -8.915 1.707 1.00 3.33 C ATOM 0 HA PRO B 730 9.032 -6.871 -0.627 1.00 1.98 H new ATOM 0 HB2 PRO B 730 7.220 -5.721 1.028 1.00 2.46 H new ATOM 0 HB3 PRO B 730 6.646 -6.954 -0.076 1.00 2.46 H new ATOM 0 HG2 PRO B 730 7.284 -7.185 2.855 1.00 3.15 H new ATOM 0 HG3 PRO B 730 5.956 -7.895 1.958 1.00 3.15 H new ATOM 0 HD2 PRO B 730 8.318 -9.231 2.628 1.00 3.33 H new ATOM 0 HD3 PRO B 730 7.203 -9.745 1.378 1.00 3.33 H new ATOM 1690 N GLU B 731 10.764 -5.822 0.689 1.00 1.33 N ATOM 1691 CA GLU B 731 11.738 -5.044 1.439 1.00 1.11 C ATOM 1692 C GLU B 731 11.146 -3.721 1.879 1.00 0.98 C ATOM 1693 O GLU B 731 10.636 -2.945 1.067 1.00 1.17 O ATOM 1694 CB GLU B 731 13.013 -4.810 0.634 1.00 1.22 C ATOM 1695 CG GLU B 731 14.133 -5.748 1.028 1.00 1.01 C ATOM 1696 CD GLU B 731 14.479 -5.646 2.499 1.00 1.84 C ATOM 1697 OE1 GLU B 731 15.175 -4.674 2.879 1.00 2.59 O ATOM 1698 OE2 GLU B 731 14.074 -6.535 3.271 1.00 2.37 O ATOM 0 H GLU B 731 10.971 -5.924 -0.305 1.00 1.33 H new ATOM 0 HA GLU B 731 12.002 -5.623 2.324 1.00 1.11 H new ATOM 0 HB2 GLU B 731 12.796 -4.935 -0.427 1.00 1.22 H new ATOM 0 HB3 GLU B 731 13.342 -3.780 0.773 1.00 1.22 H new ATOM 0 HG2 GLU B 731 13.844 -6.773 0.795 1.00 1.01 H new ATOM 0 HG3 GLU B 731 15.018 -5.524 0.433 1.00 1.01 H new ATOM 1705 N GLU B 732 11.212 -3.476 3.170 1.00 0.91 N ATOM 1706 CA GLU B 732 10.651 -2.268 3.740 1.00 0.89 C ATOM 1707 C GLU B 732 11.745 -1.377 4.280 1.00 0.66 C ATOM 1708 O GLU B 732 12.349 -1.660 5.306 1.00 0.71 O ATOM 1709 CB GLU B 732 9.667 -2.586 4.856 1.00 1.15 C ATOM 1710 CG GLU B 732 9.103 -1.336 5.508 1.00 1.40 C ATOM 1711 CD GLU B 732 8.261 -1.648 6.721 1.00 2.02 C ATOM 1712 OE1 GLU B 732 8.828 -1.764 7.829 1.00 2.40 O ATOM 1713 OE2 GLU B 732 7.027 -1.770 6.583 1.00 2.41 O ATOM 0 H GLU B 732 11.650 -4.100 3.848 1.00 0.91 H new ATOM 0 HA GLU B 732 10.119 -1.750 2.942 1.00 0.89 H new ATOM 0 HB2 GLU B 732 8.848 -3.183 4.455 1.00 1.15 H new ATOM 0 HB3 GLU B 732 10.164 -3.193 5.612 1.00 1.15 H new ATOM 0 HG2 GLU B 732 9.923 -0.679 5.798 1.00 1.40 H new ATOM 0 HG3 GLU B 732 8.500 -0.791 4.781 1.00 1.40 H new ATOM 1720 N ILE B 733 12.001 -0.303 3.587 1.00 0.53 N ATOM 1721 CA ILE B 733 12.954 0.670 4.054 1.00 0.40 C ATOM 1722 C ILE B 733 12.208 1.917 4.485 1.00 0.35 C ATOM 1723 O ILE B 733 11.286 2.347 3.793 1.00 0.38 O ATOM 1724 CB ILE B 733 13.948 1.028 2.954 1.00 0.38 C ATOM 1725 CG1 ILE B 733 14.585 -0.251 2.416 1.00 0.48 C ATOM 1726 CG2 ILE B 733 15.001 2.001 3.477 1.00 0.45 C ATOM 1727 CD1 ILE B 733 15.694 -0.007 1.440 1.00 1.01 C ATOM 0 H ILE B 733 11.563 -0.077 2.694 1.00 0.53 H new ATOM 0 HA ILE B 733 13.508 0.249 4.893 1.00 0.40 H new ATOM 0 HB ILE B 733 13.426 1.527 2.138 1.00 0.38 H new ATOM 0 HG12 ILE B 733 14.971 -0.834 3.252 1.00 0.48 H new ATOM 0 HG13 ILE B 733 13.816 -0.855 1.935 1.00 0.48 H new ATOM 0 HG21 ILE B 733 15.701 2.244 2.677 1.00 0.45 H new ATOM 0 HG22 ILE B 733 14.514 2.913 3.823 1.00 0.45 H new ATOM 0 HG23 ILE B 733 15.541 1.542 4.305 1.00 0.45 H new ATOM 0 HD11 ILE B 733 16.097 -0.961 1.102 1.00 1.01 H new ATOM 0 HD12 ILE B 733 15.310 0.549 0.584 1.00 1.01 H new ATOM 0 HD13 ILE B 733 16.483 0.570 1.923 1.00 1.01 H new ATOM 1739 N ILE B 734 12.569 2.490 5.619 1.00 0.31 N ATOM 1740 CA ILE B 734 11.921 3.699 6.084 1.00 0.30 C ATOM 1741 C ILE B 734 12.628 4.933 5.544 1.00 0.29 C ATOM 1742 O ILE B 734 13.724 4.841 4.985 1.00 0.37 O ATOM 1743 CB ILE B 734 11.890 3.747 7.631 1.00 0.29 C ATOM 1744 CG1 ILE B 734 13.182 3.172 8.250 1.00 0.28 C ATOM 1745 CG2 ILE B 734 10.674 2.991 8.150 1.00 0.34 C ATOM 1746 CD1 ILE B 734 14.446 3.961 7.952 1.00 0.29 C ATOM 0 H ILE B 734 13.305 2.138 6.232 1.00 0.31 H new ATOM 0 HA ILE B 734 10.896 3.690 5.713 1.00 0.30 H new ATOM 0 HB ILE B 734 11.822 4.793 7.930 1.00 0.29 H new ATOM 0 HG12 ILE B 734 13.054 3.115 9.331 1.00 0.28 H new ATOM 0 HG13 ILE B 734 13.316 2.152 7.890 1.00 0.28 H new ATOM 0 HG21 ILE B 734 10.659 3.029 9.239 1.00 0.34 H new ATOM 0 HG22 ILE B 734 9.766 3.450 7.758 1.00 0.34 H new ATOM 0 HG23 ILE B 734 10.725 1.952 7.824 1.00 0.34 H new ATOM 0 HD11 ILE B 734 15.298 3.477 8.430 1.00 0.29 H new ATOM 0 HD12 ILE B 734 14.607 3.997 6.875 1.00 0.29 H new ATOM 0 HD13 ILE B 734 14.341 4.975 8.337 1.00 0.29 H new ATOM 1758 N VAL B 735 12.004 6.085 5.707 1.00 0.29 N ATOM 1759 CA VAL B 735 12.593 7.317 5.238 1.00 0.28 C ATOM 1760 C VAL B 735 12.988 8.198 6.420 1.00 0.29 C ATOM 1761 O VAL B 735 12.509 8.013 7.542 1.00 0.34 O ATOM 1762 CB VAL B 735 11.638 8.085 4.290 1.00 0.31 C ATOM 1763 CG1 VAL B 735 10.452 8.659 5.043 1.00 0.39 C ATOM 1764 CG2 VAL B 735 12.385 9.179 3.542 1.00 0.60 C ATOM 0 H VAL B 735 11.095 6.189 6.158 1.00 0.29 H new ATOM 0 HA VAL B 735 13.487 7.061 4.669 1.00 0.28 H new ATOM 0 HB VAL B 735 11.252 7.373 3.560 1.00 0.31 H new ATOM 0 HG11 VAL B 735 9.803 9.191 4.348 1.00 0.39 H new ATOM 0 HG12 VAL B 735 9.894 7.850 5.514 1.00 0.39 H new ATOM 0 HG13 VAL B 735 10.807 9.349 5.809 1.00 0.39 H new ATOM 0 HG21 VAL B 735 11.695 9.705 2.882 1.00 0.60 H new ATOM 0 HG22 VAL B 735 12.811 9.883 4.257 1.00 0.60 H new ATOM 0 HG23 VAL B 735 13.185 8.734 2.950 1.00 0.60 H new ATOM 1774 N LEU B 736 13.872 9.135 6.148 1.00 0.28 N ATOM 1775 CA LEU B 736 14.380 10.071 7.135 1.00 0.32 C ATOM 1776 C LEU B 736 13.436 11.248 7.310 1.00 0.33 C ATOM 1777 O LEU B 736 12.477 11.406 6.553 1.00 0.35 O ATOM 1778 CB LEU B 736 15.755 10.560 6.701 1.00 0.43 C ATOM 1779 CG LEU B 736 15.993 10.499 5.196 1.00 0.32 C ATOM 1780 CD1 LEU B 736 16.292 11.874 4.629 1.00 0.45 C ATOM 1781 CD2 LEU B 736 17.126 9.545 4.897 1.00 0.43 C ATOM 0 H LEU B 736 14.267 9.272 5.217 1.00 0.28 H new ATOM 0 HA LEU B 736 14.457 9.561 8.095 1.00 0.32 H new ATOM 0 HB2 LEU B 736 15.885 11.589 7.037 1.00 0.43 H new ATOM 0 HB3 LEU B 736 16.516 9.962 7.203 1.00 0.43 H new ATOM 0 HG LEU B 736 15.083 10.137 4.718 1.00 0.32 H new ATOM 0 HD11 LEU B 736 16.457 11.796 3.554 1.00 0.45 H new ATOM 0 HD12 LEU B 736 15.449 12.538 4.820 1.00 0.45 H new ATOM 0 HD13 LEU B 736 17.186 12.277 5.105 1.00 0.45 H new ATOM 0 HD21 LEU B 736 17.293 9.504 3.821 1.00 0.43 H new ATOM 0 HD22 LEU B 736 18.033 9.891 5.392 1.00 0.43 H new ATOM 0 HD23 LEU B 736 16.870 8.550 5.262 1.00 0.43 H new ATOM 1793 N SER B 737 13.716 12.071 8.306 1.00 0.40 N ATOM 1794 CA SER B 737 12.835 13.166 8.660 1.00 0.49 C ATOM 1795 C SER B 737 13.135 14.402 7.812 1.00 0.55 C ATOM 1796 O SER B 737 14.000 14.369 6.931 1.00 0.57 O ATOM 1797 CB SER B 737 12.992 13.485 10.146 1.00 0.56 C ATOM 1798 OG SER B 737 12.813 12.319 10.934 1.00 1.51 O ATOM 0 H SER B 737 14.552 11.999 8.886 1.00 0.40 H new ATOM 0 HA SER B 737 11.805 12.869 8.463 1.00 0.49 H new ATOM 0 HB2 SER B 737 13.981 13.905 10.330 1.00 0.56 H new ATOM 0 HB3 SER B 737 12.265 14.242 10.439 1.00 0.56 H new ATOM 0 HG SER B 737 12.919 12.545 11.882 1.00 1.51 H new ATOM 1804 N ASP B 738 12.431 15.492 8.090 1.00 0.80 N ATOM 1805 CA ASP B 738 12.494 16.685 7.257 1.00 0.92 C ATOM 1806 C ASP B 738 13.808 17.447 7.435 1.00 0.86 C ATOM 1807 O ASP B 738 14.227 17.748 8.556 1.00 1.00 O ATOM 1808 CB ASP B 738 11.304 17.604 7.560 1.00 1.31 C ATOM 1809 CG ASP B 738 11.222 18.023 9.015 1.00 1.55 C ATOM 1810 OD1 ASP B 738 10.646 17.278 9.832 1.00 1.76 O ATOM 1811 OD2 ASP B 738 11.749 19.101 9.355 1.00 1.90 O ATOM 0 H ASP B 738 11.806 15.574 8.892 1.00 0.80 H new ATOM 0 HA ASP B 738 12.447 16.359 6.218 1.00 0.92 H new ATOM 0 HB2 ASP B 738 11.375 18.495 6.936 1.00 1.31 H new ATOM 0 HB3 ASP B 738 10.381 17.094 7.284 1.00 1.31 H new ATOM 1816 N SER B 739 14.471 17.725 6.316 1.00 0.81 N ATOM 1817 CA SER B 739 15.692 18.514 6.326 1.00 0.85 C ATOM 1818 C SER B 739 15.481 19.889 5.701 1.00 0.94 C ATOM 1819 O SER B 739 14.757 20.029 4.724 1.00 1.35 O ATOM 1820 CB SER B 739 16.829 17.757 5.641 1.00 0.96 C ATOM 1821 OG SER B 739 17.146 16.577 6.362 1.00 1.50 O ATOM 0 H SER B 739 14.179 17.413 5.390 1.00 0.81 H new ATOM 0 HA SER B 739 15.974 18.678 7.366 1.00 0.85 H new ATOM 0 HB2 SER B 739 16.541 17.501 4.621 1.00 0.96 H new ATOM 0 HB3 SER B 739 17.710 18.396 5.572 1.00 0.96 H new ATOM 0 HG SER B 739 16.415 15.931 6.270 1.00 1.50 H new ATOM 1827 N ASP B 740 16.171 20.878 6.254 1.00 0.89 N ATOM 1828 CA ASP B 740 15.922 22.283 5.955 1.00 0.97 C ATOM 1829 C ASP B 740 14.484 22.639 6.311 1.00 1.26 C ATOM 1830 O ASP B 740 14.176 22.712 7.520 1.00 1.80 O ATOM 1831 CB ASP B 740 16.199 22.598 4.479 1.00 1.09 C ATOM 1832 CG ASP B 740 16.308 24.090 4.225 1.00 1.56 C ATOM 1833 OD1 ASP B 740 17.420 24.642 4.393 1.00 1.95 O ATOM 1834 OD2 ASP B 740 15.300 24.722 3.848 1.00 1.95 O ATOM 1835 OXT ASP B 740 13.657 22.818 5.396 1.00 1.87 O ATOM 0 H ASP B 740 16.923 20.728 6.926 1.00 0.89 H new ATOM 0 HA ASP B 740 16.603 22.886 6.556 1.00 0.97 H new ATOM 0 HB2 ASP B 740 17.124 22.110 4.172 1.00 1.09 H new ATOM 0 HB3 ASP B 740 15.400 22.183 3.864 1.00 1.09 H new TER 1840 ASP B 740