USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=43 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+ -178:sc= 1.07 (180deg=0) USER MOD Set 1.2: B 739 SER OG : rot -90:sc= 0.915 USER MOD Set 2.1: A 60 ASN : amide:sc= 0.257 K(o=0.8,f=-1.5) USER MOD Set 2.2: A 94 GLN : amide:sc= 0.543 K(o=0.8,f=-2) USER MOD Set 3.1: A 17 LYS NZ :NH3+ -134:sc= 0.97 (180deg=0.452) USER MOD Set 3.2: A 21 TYR OH : rot 180:sc= 0.461 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0682 (180deg=-0.433) USER MOD Single : A 1 MET N :NH3+ 168:sc= 0.992 (180deg=0.829) USER MOD Single : A 2 SER OG : rot 180:sc= 0.237 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.156 F(o=-1.5!,f=-0.16) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -83:sc= 0.206 USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.17) USER MOD Single : A 23 LYS NZ :NH3+ 150:sc= 1.24 (180deg=-0.197) USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= -0.29 (180deg=-0.932) USER MOD Single : A 29 GLN :FLIP amide:sc= -2.19 F(o=-4.6!,f=-2.2) USER MOD Single : A 31 SER OG : rot -29:sc= 0.873 USER MOD Single : A 32 SER OG : rot 155:sc= 0.941 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= 2.47 (180deg=2.23) USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= -0.0896 (180deg=-0.312) USER MOD Single : A 40 MET CE :methyl 177:sc= -4.52! (180deg=-4.67!) USER MOD Single : A 41 THR OG1 : rot -75:sc= 1.23 USER MOD Single : A 42 THR OG1 : rot 21:sc= 0.926 USER MOD Single : A 43 HIS : no HD1:sc= -0.409 K(o=-0.41,f=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ 142:sc= -2.26 (180deg=-4.54!) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 1.2 (180deg=0.997) USER MOD Single : A 50 SER OG : rot 59:sc= 1.01 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -67:sc= -4.95! USER MOD Single : A 53 GLN :FLIP amide:sc= -1.34 F(o=-3.6!,f=-1.3) USER MOD Single : A 55 GLN :FLIP amide:sc= -6.42! C(o=-9.8!,f=-6.4!) USER MOD Single : A 59 MET CE :methyl 170:sc= -6.61! (180deg=-6.76!) USER MOD Single : A 61 SER OG : rot 82:sc= 0.595 USER MOD Single : A 69 GLN :FLIP amide:sc= -1.21 F(o=-3.3,f=-1.2) USER MOD Single : A 74 ASN :FLIP amide:sc= 0.0224 F(o=-2.5!,f=0.022) USER MOD Single : A 75 HIS : no HD1:sc= -1.85 X(o=-1.9,f=-2) USER MOD Single : A 76 THR OG1 : rot -126:sc= -2.63! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 143:sc= -5.27! (180deg=-8.67!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : B 721 LYS NZ :NH3+ -157:sc= -0.0988 (180deg=-0.575) USER MOD Single : B 722 THR OG1 : rot 41:sc= 0.0391 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=-0.42) USER MOD Single : B 728 CYS SG : rot 180:sc= -0.38 USER MOD Single : B 737 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.677 12.728 -8.419 1.00 23.69 N ATOM 2 CA MET A 1 -13.362 13.997 -7.724 1.00 23.15 C ATOM 3 C MET A 1 -12.835 15.039 -8.699 1.00 22.30 C ATOM 4 O MET A 1 -11.632 15.292 -8.762 1.00 21.95 O ATOM 5 CB MET A 1 -12.342 13.771 -6.605 1.00 23.34 C ATOM 6 CG MET A 1 -12.887 12.992 -5.420 1.00 23.82 C ATOM 7 SD MET A 1 -11.723 12.916 -4.045 1.00 24.35 S ATOM 8 CE MET A 1 -10.353 12.049 -4.806 1.00 24.62 C ATOM 0 H1 MET A 1 -13.838 11.978 -7.717 1.00 23.69 H new ATOM 0 H2 MET A 1 -14.533 12.852 -8.996 1.00 23.69 H new ATOM 0 H3 MET A 1 -12.881 12.462 -9.033 1.00 23.69 H new ATOM 0 HA MET A 1 -14.288 14.367 -7.285 1.00 23.15 H new ATOM 0 HB2 MET A 1 -11.483 13.238 -7.013 1.00 23.34 H new ATOM 0 HB3 MET A 1 -11.981 14.738 -6.256 1.00 23.34 H new ATOM 0 HG2 MET A 1 -13.814 13.455 -5.081 1.00 23.82 H new ATOM 0 HG3 MET A 1 -13.134 11.979 -5.738 1.00 23.82 H new ATOM 0 HE1 MET A 1 -9.683 11.676 -4.031 1.00 24.62 H new ATOM 0 HE2 MET A 1 -10.733 11.212 -5.392 1.00 24.62 H new ATOM 0 HE3 MET A 1 -9.808 12.731 -5.459 1.00 24.62 H new ATOM 18 N SER A 2 -13.737 15.635 -9.465 1.00 22.07 N ATOM 19 CA SER A 2 -13.373 16.678 -10.413 1.00 21.38 C ATOM 20 C SER A 2 -13.103 18.012 -9.708 1.00 20.96 C ATOM 21 O SER A 2 -11.998 18.250 -9.217 1.00 20.50 O ATOM 22 CB SER A 2 -14.479 16.825 -11.456 1.00 21.51 C ATOM 23 OG SER A 2 -15.753 16.863 -10.832 1.00 22.01 O ATOM 0 H SER A 2 -14.732 15.412 -9.448 1.00 22.07 H new ATOM 0 HA SER A 2 -12.447 16.388 -10.910 1.00 21.38 H new ATOM 0 HB2 SER A 2 -14.323 17.737 -12.033 1.00 21.51 H new ATOM 0 HB3 SER A 2 -14.437 15.992 -12.158 1.00 21.51 H new ATOM 0 HG SER A 2 -16.449 16.959 -11.515 1.00 22.01 H new ATOM 29 N ASP A 3 -14.115 18.871 -9.641 1.00 21.23 N ATOM 30 CA ASP A 3 -13.979 20.177 -9.000 1.00 21.04 C ATOM 31 C ASP A 3 -14.987 20.315 -7.870 1.00 21.00 C ATOM 32 O ASP A 3 -14.691 20.869 -6.814 1.00 20.71 O ATOM 33 CB ASP A 3 -14.178 21.292 -10.032 1.00 21.47 C ATOM 34 CG ASP A 3 -14.223 22.679 -9.418 1.00 21.77 C ATOM 35 OD1 ASP A 3 -15.324 23.143 -9.048 1.00 22.30 O ATOM 36 OD2 ASP A 3 -13.147 23.297 -9.274 1.00 21.57 O ATOM 0 H ASP A 3 -15.042 18.686 -10.024 1.00 21.23 H new ATOM 0 HA ASP A 3 -12.976 20.262 -8.582 1.00 21.04 H new ATOM 0 HB2 ASP A 3 -13.369 21.251 -10.761 1.00 21.47 H new ATOM 0 HB3 ASP A 3 -15.106 21.113 -10.576 1.00 21.47 H new ATOM 41 N GLN A 4 -16.183 19.804 -8.105 1.00 21.39 N ATOM 42 CA GLN A 4 -17.233 19.806 -7.096 1.00 21.53 C ATOM 43 C GLN A 4 -17.033 18.656 -6.114 1.00 21.32 C ATOM 44 O GLN A 4 -17.373 18.755 -4.933 1.00 21.35 O ATOM 45 CB GLN A 4 -18.591 19.676 -7.778 1.00 22.34 C ATOM 46 CG GLN A 4 -18.884 20.806 -8.753 1.00 22.66 C ATOM 47 CD GLN A 4 -19.809 20.397 -9.888 1.00 23.24 C ATOM 48 OE1 GLN A 4 -19.663 19.171 -10.372 1.00 23.63 O flip ATOM 49 NE2 GLN A 4 -20.620 21.199 -10.354 1.00 23.40 N flip ATOM 0 H GLN A 4 -16.454 19.379 -8.992 1.00 21.39 H new ATOM 0 HA GLN A 4 -17.190 20.744 -6.542 1.00 21.53 H new ATOM 0 HB2 GLN A 4 -18.633 18.726 -8.310 1.00 22.34 H new ATOM 0 HB3 GLN A 4 -19.371 19.650 -7.017 1.00 22.34 H new ATOM 0 HG2 GLN A 4 -19.333 21.638 -8.210 1.00 22.66 H new ATOM 0 HG3 GLN A 4 -17.945 21.168 -9.172 1.00 22.66 H new ATOM 0 HE21 GLN A 4 -20.702 22.133 -9.953 1.00 23.40 H new ATOM 0 HE22 GLN A 4 -21.210 20.929 -11.141 1.00 23.40 H new ATOM 58 N GLU A 5 -16.470 17.567 -6.618 1.00 21.21 N ATOM 59 CA GLU A 5 -16.274 16.365 -5.824 1.00 21.16 C ATOM 60 C GLU A 5 -14.972 16.452 -5.036 1.00 20.14 C ATOM 61 O GLU A 5 -14.785 15.756 -4.042 1.00 20.05 O ATOM 62 CB GLU A 5 -16.239 15.144 -6.737 1.00 21.82 C ATOM 63 CG GLU A 5 -17.274 15.185 -7.844 1.00 22.75 C ATOM 64 CD GLU A 5 -17.103 14.054 -8.834 1.00 23.18 C ATOM 65 OE1 GLU A 5 -15.992 13.903 -9.382 1.00 23.28 O ATOM 66 OE2 GLU A 5 -18.081 13.310 -9.066 1.00 23.50 O ATOM 0 H GLU A 5 -16.139 17.493 -7.580 1.00 21.21 H new ATOM 0 HA GLU A 5 -17.103 16.272 -5.123 1.00 21.16 H new ATOM 0 HB2 GLU A 5 -15.247 15.061 -7.181 1.00 21.82 H new ATOM 0 HB3 GLU A 5 -16.396 14.247 -6.137 1.00 21.82 H new ATOM 0 HG2 GLU A 5 -18.271 15.135 -7.407 1.00 22.75 H new ATOM 0 HG3 GLU A 5 -17.203 16.138 -8.369 1.00 22.75 H new ATOM 73 N ALA A 6 -14.075 17.310 -5.498 1.00 19.46 N ATOM 74 CA ALA A 6 -12.801 17.511 -4.836 1.00 18.52 C ATOM 75 C ALA A 6 -12.798 18.862 -4.147 1.00 17.92 C ATOM 76 O ALA A 6 -12.939 19.892 -4.798 1.00 18.12 O ATOM 77 CB ALA A 6 -11.657 17.419 -5.833 1.00 18.20 C ATOM 0 H ALA A 6 -14.210 17.880 -6.333 1.00 19.46 H new ATOM 0 HA ALA A 6 -12.660 16.728 -4.091 1.00 18.52 H new ATOM 0 HB1 ALA A 6 -10.710 17.573 -5.315 1.00 18.20 H new ATOM 0 HB2 ALA A 6 -11.660 16.434 -6.300 1.00 18.20 H new ATOM 0 HB3 ALA A 6 -11.780 18.184 -6.600 1.00 18.20 H new ATOM 83 N LYS A 7 -12.642 18.851 -2.836 1.00 17.33 N ATOM 84 CA LYS A 7 -12.731 20.072 -2.052 1.00 16.82 C ATOM 85 C LYS A 7 -11.489 20.938 -2.233 1.00 15.93 C ATOM 86 O LYS A 7 -10.392 20.567 -1.815 1.00 15.33 O ATOM 87 CB LYS A 7 -12.961 19.766 -0.567 1.00 16.60 C ATOM 88 CG LYS A 7 -12.192 18.561 -0.050 1.00 16.97 C ATOM 89 CD LYS A 7 -13.131 17.440 0.379 1.00 17.70 C ATOM 90 CE LYS A 7 -14.240 17.209 -0.642 1.00 18.30 C ATOM 91 NZ LYS A 7 -15.012 15.973 -0.355 1.00 19.04 N ATOM 0 H LYS A 7 -12.453 18.010 -2.290 1.00 17.33 H new ATOM 0 HA LYS A 7 -13.591 20.631 -2.420 1.00 16.82 H new ATOM 0 HB2 LYS A 7 -12.680 20.641 0.020 1.00 16.60 H new ATOM 0 HB3 LYS A 7 -14.026 19.601 -0.403 1.00 16.60 H new ATOM 0 HG2 LYS A 7 -11.520 18.197 -0.827 1.00 16.97 H new ATOM 0 HG3 LYS A 7 -11.571 18.860 0.794 1.00 16.97 H new ATOM 0 HD2 LYS A 7 -12.562 16.520 0.512 1.00 17.70 H new ATOM 0 HD3 LYS A 7 -13.572 17.685 1.345 1.00 17.70 H new ATOM 0 HE2 LYS A 7 -14.914 18.065 -0.645 1.00 18.30 H new ATOM 0 HE3 LYS A 7 -13.806 17.142 -1.640 1.00 18.30 H new ATOM 0 HZ1 LYS A 7 -15.755 15.854 -1.072 1.00 19.04 H new ATOM 0 HZ2 LYS A 7 -14.374 15.152 -0.378 1.00 19.04 H new ATOM 0 HZ3 LYS A 7 -15.448 16.047 0.586 1.00 19.04 H new ATOM 105 N PRO A 8 -11.651 22.119 -2.849 1.00 15.97 N ATOM 106 CA PRO A 8 -10.552 23.036 -3.123 1.00 15.31 C ATOM 107 C PRO A 8 -10.198 23.883 -1.911 1.00 14.44 C ATOM 108 O PRO A 8 -9.775 25.031 -2.034 1.00 14.27 O ATOM 109 CB PRO A 8 -11.085 23.918 -4.262 1.00 16.05 C ATOM 110 CG PRO A 8 -12.477 23.439 -4.548 1.00 16.96 C ATOM 111 CD PRO A 8 -12.918 22.662 -3.344 1.00 16.80 C ATOM 0 HA PRO A 8 -9.635 22.506 -3.380 1.00 15.31 H new ATOM 0 HB2 PRO A 8 -11.087 24.969 -3.972 1.00 16.05 H new ATOM 0 HB3 PRO A 8 -10.455 23.833 -5.147 1.00 16.05 H new ATOM 0 HG2 PRO A 8 -13.146 24.280 -4.733 1.00 16.96 H new ATOM 0 HG3 PRO A 8 -12.496 22.814 -5.441 1.00 16.96 H new ATOM 0 HD2 PRO A 8 -13.406 23.298 -2.605 1.00 16.80 H new ATOM 0 HD3 PRO A 8 -13.625 21.874 -3.604 1.00 16.80 H new ATOM 119 N SER A 9 -10.363 23.295 -0.748 1.00 14.02 N ATOM 120 CA SER A 9 -10.083 23.966 0.507 1.00 13.33 C ATOM 121 C SER A 9 -8.975 23.234 1.255 1.00 12.66 C ATOM 122 O SER A 9 -8.517 23.676 2.310 1.00 12.16 O ATOM 123 CB SER A 9 -11.355 24.044 1.350 1.00 13.64 C ATOM 124 OG SER A 9 -12.051 22.807 1.343 1.00 13.73 O ATOM 0 H SER A 9 -10.696 22.337 -0.642 1.00 14.02 H new ATOM 0 HA SER A 9 -9.743 24.982 0.305 1.00 13.33 H new ATOM 0 HB2 SER A 9 -11.100 24.315 2.374 1.00 13.64 H new ATOM 0 HB3 SER A 9 -12.003 24.831 0.964 1.00 13.64 H new ATOM 0 HG SER A 9 -12.860 22.884 1.891 1.00 13.73 H new ATOM 130 N THR A 10 -8.535 22.119 0.685 1.00 12.84 N ATOM 131 CA THR A 10 -7.450 21.336 1.254 1.00 12.49 C ATOM 132 C THR A 10 -6.110 21.886 0.799 1.00 11.94 C ATOM 133 O THR A 10 -5.051 21.383 1.166 1.00 11.47 O ATOM 134 CB THR A 10 -7.569 19.865 0.831 1.00 13.21 C ATOM 135 OG1 THR A 10 -7.634 19.779 -0.599 1.00 13.91 O ATOM 136 CG2 THR A 10 -8.816 19.247 1.430 1.00 13.47 C ATOM 0 H THR A 10 -8.918 21.736 -0.179 1.00 12.84 H new ATOM 0 HA THR A 10 -7.516 21.400 2.340 1.00 12.49 H new ATOM 0 HB THR A 10 -6.695 19.323 1.192 1.00 13.21 H new ATOM 0 HG1 THR A 10 -8.556 19.931 -0.894 1.00 13.91 H new ATOM 0 HG21 THR A 10 -8.889 18.204 1.122 1.00 13.47 H new ATOM 0 HG22 THR A 10 -8.763 19.302 2.517 1.00 13.47 H new ATOM 0 HG23 THR A 10 -9.695 19.790 1.082 1.00 13.47 H new ATOM 144 N GLU A 11 -6.178 22.942 0.003 1.00 12.19 N ATOM 145 CA GLU A 11 -4.990 23.580 -0.547 1.00 11.97 C ATOM 146 C GLU A 11 -4.273 24.421 0.502 1.00 11.14 C ATOM 147 O GLU A 11 -3.261 25.057 0.220 1.00 11.00 O ATOM 148 CB GLU A 11 -5.368 24.443 -1.745 1.00 13.04 C ATOM 149 CG GLU A 11 -5.880 23.629 -2.913 1.00 13.94 C ATOM 150 CD GLU A 11 -4.835 22.677 -3.458 1.00 14.51 C ATOM 151 OE1 GLU A 11 -4.000 23.110 -4.275 1.00 14.88 O ATOM 152 OE2 GLU A 11 -4.845 21.491 -3.073 1.00 14.71 O ATOM 0 H GLU A 11 -7.055 23.380 -0.280 1.00 12.19 H new ATOM 0 HA GLU A 11 -4.306 22.795 -0.870 1.00 11.97 H new ATOM 0 HB2 GLU A 11 -6.132 25.160 -1.444 1.00 13.04 H new ATOM 0 HB3 GLU A 11 -4.498 25.018 -2.062 1.00 13.04 H new ATOM 0 HG2 GLU A 11 -6.756 23.061 -2.600 1.00 13.94 H new ATOM 0 HG3 GLU A 11 -6.203 24.302 -3.707 1.00 13.94 H new ATOM 159 N ASP A 12 -4.800 24.404 1.716 1.00 10.76 N ATOM 160 CA ASP A 12 -4.224 25.162 2.818 1.00 10.14 C ATOM 161 C ASP A 12 -3.249 24.282 3.602 1.00 9.01 C ATOM 162 O ASP A 12 -2.806 24.640 4.696 1.00 8.48 O ATOM 163 CB ASP A 12 -5.343 25.669 3.732 1.00 10.63 C ATOM 164 CG ASP A 12 -4.924 26.858 4.575 1.00 11.09 C ATOM 165 OD1 ASP A 12 -4.784 27.969 4.022 1.00 11.37 O ATOM 166 OD2 ASP A 12 -4.702 26.674 5.791 1.00 11.38 O ATOM 0 H ASP A 12 -5.632 23.869 1.965 1.00 10.76 H new ATOM 0 HA ASP A 12 -3.677 26.018 2.423 1.00 10.14 H new ATOM 0 HB2 ASP A 12 -6.204 25.947 3.124 1.00 10.63 H new ATOM 0 HB3 ASP A 12 -5.664 24.860 4.388 1.00 10.63 H new ATOM 171 N LEU A 13 -2.924 23.129 3.025 1.00 8.84 N ATOM 172 CA LEU A 13 -2.035 22.161 3.658 1.00 7.95 C ATOM 173 C LEU A 13 -0.585 22.645 3.624 1.00 7.12 C ATOM 174 O LEU A 13 -0.273 23.653 2.983 1.00 7.51 O ATOM 175 CB LEU A 13 -2.144 20.790 2.972 1.00 8.51 C ATOM 176 CG LEU A 13 -1.367 20.622 1.658 1.00 9.12 C ATOM 177 CD1 LEU A 13 -1.413 19.176 1.196 1.00 9.39 C ATOM 178 CD2 LEU A 13 -1.905 21.536 0.563 1.00 9.90 C ATOM 0 H LEU A 13 -3.268 22.840 2.109 1.00 8.84 H new ATOM 0 HA LEU A 13 -2.344 22.059 4.698 1.00 7.95 H new ATOM 0 HB2 LEU A 13 -1.800 20.029 3.672 1.00 8.51 H new ATOM 0 HB3 LEU A 13 -3.197 20.589 2.775 1.00 8.51 H new ATOM 0 HG LEU A 13 -0.332 20.905 1.852 1.00 9.12 H new ATOM 0 HD11 LEU A 13 -0.858 19.074 0.264 1.00 9.39 H new ATOM 0 HD12 LEU A 13 -0.965 18.537 1.957 1.00 9.39 H new ATOM 0 HD13 LEU A 13 -2.449 18.878 1.036 1.00 9.39 H new ATOM 0 HD21 LEU A 13 -1.329 21.387 -0.350 1.00 9.90 H new ATOM 0 HD22 LEU A 13 -2.952 21.300 0.374 1.00 9.90 H new ATOM 0 HD23 LEU A 13 -1.819 22.575 0.881 1.00 9.90 H new ATOM 190 N GLY A 14 0.296 21.918 4.300 1.00 6.21 N ATOM 191 CA GLY A 14 1.684 22.329 4.392 1.00 5.51 C ATOM 192 C GLY A 14 1.845 23.530 5.299 1.00 4.93 C ATOM 193 O GLY A 14 2.626 24.444 5.012 1.00 4.74 O ATOM 0 H GLY A 14 0.074 21.050 4.787 1.00 6.21 H new ATOM 0 HA2 GLY A 14 2.286 21.502 4.770 1.00 5.51 H new ATOM 0 HA3 GLY A 14 2.061 22.569 3.398 1.00 5.51 H new ATOM 197 N ASP A 15 1.096 23.531 6.392 1.00 5.09 N ATOM 198 CA ASP A 15 1.081 24.653 7.319 1.00 5.13 C ATOM 199 C ASP A 15 1.384 24.198 8.741 1.00 4.49 C ATOM 200 O ASP A 15 2.107 24.874 9.476 1.00 4.69 O ATOM 201 CB ASP A 15 -0.287 25.344 7.281 1.00 5.97 C ATOM 202 CG ASP A 15 -0.458 26.385 8.375 1.00 6.53 C ATOM 203 OD1 ASP A 15 0.238 27.426 8.329 1.00 6.83 O ATOM 204 OD2 ASP A 15 -1.269 26.158 9.299 1.00 6.93 O ATOM 0 H ASP A 15 0.485 22.759 6.660 1.00 5.09 H new ATOM 0 HA ASP A 15 1.856 25.355 7.011 1.00 5.13 H new ATOM 0 HB2 ASP A 15 -0.420 25.821 6.310 1.00 5.97 H new ATOM 0 HB3 ASP A 15 -1.070 24.592 7.377 1.00 5.97 H new ATOM 209 N LYS A 16 0.844 23.041 9.113 1.00 4.20 N ATOM 210 CA LYS A 16 0.891 22.581 10.497 1.00 4.16 C ATOM 211 C LYS A 16 2.312 22.289 10.965 1.00 3.46 C ATOM 212 O LYS A 16 2.796 22.932 11.896 1.00 3.74 O ATOM 213 CB LYS A 16 -0.028 21.372 10.693 1.00 4.88 C ATOM 214 CG LYS A 16 -1.477 21.703 10.380 1.00 5.72 C ATOM 215 CD LYS A 16 -1.866 23.032 11.011 1.00 6.55 C ATOM 216 CE LYS A 16 -3.168 23.580 10.455 1.00 7.29 C ATOM 217 NZ LYS A 16 -3.318 25.023 10.774 1.00 7.77 N ATOM 0 H LYS A 16 0.368 22.404 8.474 1.00 4.20 H new ATOM 0 HA LYS A 16 0.525 23.394 11.124 1.00 4.16 H new ATOM 0 HB2 LYS A 16 0.304 20.556 10.051 1.00 4.88 H new ATOM 0 HB3 LYS A 16 0.050 21.020 11.722 1.00 4.88 H new ATOM 0 HG2 LYS A 16 -1.621 21.750 9.301 1.00 5.72 H new ATOM 0 HG3 LYS A 16 -2.126 20.912 10.754 1.00 5.72 H new ATOM 0 HD2 LYS A 16 -1.960 22.905 12.089 1.00 6.55 H new ATOM 0 HD3 LYS A 16 -1.069 23.757 10.844 1.00 6.55 H new ATOM 0 HE2 LYS A 16 -3.194 23.438 9.375 1.00 7.29 H new ATOM 0 HE3 LYS A 16 -4.008 23.023 10.870 1.00 7.29 H new ATOM 0 HZ1 LYS A 16 -4.296 25.321 10.583 1.00 7.77 H new ATOM 0 HZ2 LYS A 16 -3.097 25.181 11.778 1.00 7.77 H new ATOM 0 HZ3 LYS A 16 -2.666 25.578 10.184 1.00 7.77 H new ATOM 231 N LYS A 17 2.987 21.335 10.342 1.00 2.93 N ATOM 232 CA LYS A 17 4.389 21.126 10.659 1.00 2.61 C ATOM 233 C LYS A 17 5.219 22.045 9.784 1.00 2.32 C ATOM 234 O LYS A 17 5.719 23.072 10.241 1.00 2.80 O ATOM 235 CB LYS A 17 4.821 19.674 10.463 1.00 2.77 C ATOM 236 CG LYS A 17 6.136 19.360 11.165 1.00 3.05 C ATOM 237 CD LYS A 17 6.726 18.040 10.708 1.00 3.51 C ATOM 238 CE LYS A 17 7.199 18.130 9.269 1.00 3.23 C ATOM 239 NZ LYS A 17 7.800 16.853 8.803 1.00 3.83 N ATOM 0 H LYS A 17 2.600 20.710 9.634 1.00 2.93 H new ATOM 0 HA LYS A 17 4.543 21.355 11.713 1.00 2.61 H new ATOM 0 HB2 LYS A 17 4.043 19.012 10.842 1.00 2.77 H new ATOM 0 HB3 LYS A 17 4.923 19.469 9.397 1.00 2.77 H new ATOM 0 HG2 LYS A 17 6.849 20.161 10.973 1.00 3.05 H new ATOM 0 HG3 LYS A 17 5.973 19.330 12.242 1.00 3.05 H new ATOM 0 HD2 LYS A 17 7.561 17.767 11.353 1.00 3.51 H new ATOM 0 HD3 LYS A 17 5.980 17.251 10.801 1.00 3.51 H new ATOM 0 HE2 LYS A 17 6.359 18.392 8.626 1.00 3.23 H new ATOM 0 HE3 LYS A 17 7.932 18.931 9.177 1.00 3.23 H new ATOM 0 HZ1 LYS A 17 8.692 17.050 8.306 1.00 3.83 H new ATOM 0 HZ2 LYS A 17 7.988 16.239 9.621 1.00 3.83 H new ATOM 0 HZ3 LYS A 17 7.141 16.375 8.156 1.00 3.83 H new ATOM 253 N GLU A 18 5.338 21.671 8.520 1.00 1.92 N ATOM 254 CA GLU A 18 5.965 22.510 7.511 1.00 1.92 C ATOM 255 C GLU A 18 5.277 22.258 6.181 1.00 1.51 C ATOM 256 O GLU A 18 4.214 21.637 6.149 1.00 1.60 O ATOM 257 CB GLU A 18 7.461 22.219 7.385 1.00 2.31 C ATOM 258 CG GLU A 18 8.231 22.415 8.677 1.00 2.92 C ATOM 259 CD GLU A 18 9.722 22.464 8.466 1.00 3.74 C ATOM 260 OE1 GLU A 18 10.301 21.438 8.051 1.00 4.12 O ATOM 261 OE2 GLU A 18 10.326 23.521 8.718 1.00 4.37 O ATOM 0 H GLU A 18 5.002 20.776 8.164 1.00 1.92 H new ATOM 0 HA GLU A 18 5.860 23.554 7.807 1.00 1.92 H new ATOM 0 HB2 GLU A 18 7.595 21.192 7.045 1.00 2.31 H new ATOM 0 HB3 GLU A 18 7.885 22.867 6.618 1.00 2.31 H new ATOM 0 HG2 GLU A 18 7.905 23.340 9.152 1.00 2.92 H new ATOM 0 HG3 GLU A 18 7.992 21.603 9.364 1.00 2.92 H new ATOM 268 N GLY A 19 5.880 22.711 5.093 1.00 1.76 N ATOM 269 CA GLY A 19 5.303 22.488 3.781 1.00 1.75 C ATOM 270 C GLY A 19 5.391 21.036 3.355 1.00 1.41 C ATOM 271 O GLY A 19 5.870 20.186 4.112 1.00 1.51 O ATOM 0 H GLY A 19 6.759 23.229 5.093 1.00 1.76 H new ATOM 0 HA2 GLY A 19 4.259 22.800 3.788 1.00 1.75 H new ATOM 0 HA3 GLY A 19 5.817 23.111 3.049 1.00 1.75 H new ATOM 275 N GLU A 20 4.935 20.749 2.149 1.00 1.32 N ATOM 276 CA GLU A 20 4.952 19.392 1.632 1.00 1.19 C ATOM 277 C GLU A 20 6.342 19.018 1.136 1.00 0.95 C ATOM 278 O GLU A 20 7.067 19.839 0.573 1.00 1.16 O ATOM 279 CB GLU A 20 3.924 19.233 0.511 1.00 1.68 C ATOM 280 CG GLU A 20 2.490 19.264 1.007 1.00 2.62 C ATOM 281 CD GLU A 20 2.196 18.146 1.985 1.00 3.39 C ATOM 282 OE1 GLU A 20 1.923 17.012 1.533 1.00 3.98 O ATOM 283 OE2 GLU A 20 2.239 18.389 3.210 1.00 3.82 O ATOM 0 H GLU A 20 4.547 21.440 1.507 1.00 1.32 H new ATOM 0 HA GLU A 20 4.687 18.716 2.445 1.00 1.19 H new ATOM 0 HB2 GLU A 20 4.066 20.029 -0.220 1.00 1.68 H new ATOM 0 HB3 GLU A 20 4.103 18.290 -0.006 1.00 1.68 H new ATOM 0 HG2 GLU A 20 2.294 20.223 1.486 1.00 2.62 H new ATOM 0 HG3 GLU A 20 1.812 19.188 0.157 1.00 2.62 H new ATOM 290 N TYR A 21 6.705 17.765 1.359 1.00 0.69 N ATOM 291 CA TYR A 21 8.003 17.251 0.958 1.00 0.47 C ATOM 292 C TYR A 21 7.864 16.557 -0.389 1.00 0.30 C ATOM 293 O TYR A 21 6.791 16.567 -0.986 1.00 0.33 O ATOM 294 CB TYR A 21 8.537 16.262 2.005 1.00 0.51 C ATOM 295 CG TYR A 21 7.777 16.301 3.313 1.00 0.49 C ATOM 296 CD1 TYR A 21 7.795 17.433 4.117 1.00 1.13 C ATOM 297 CD2 TYR A 21 7.022 15.214 3.728 1.00 1.23 C ATOM 298 CE1 TYR A 21 7.079 17.481 5.294 1.00 1.36 C ATOM 299 CE2 TYR A 21 6.310 15.251 4.911 1.00 1.60 C ATOM 300 CZ TYR A 21 6.337 16.391 5.688 1.00 1.34 C ATOM 301 OH TYR A 21 5.614 16.445 6.855 1.00 1.85 O ATOM 0 H TYR A 21 6.110 17.078 1.822 1.00 0.69 H new ATOM 0 HA TYR A 21 8.709 18.078 0.878 1.00 0.47 H new ATOM 0 HB2 TYR A 21 8.491 15.252 1.597 1.00 0.51 H new ATOM 0 HB3 TYR A 21 9.587 16.480 2.197 1.00 0.51 H new ATOM 0 HD1 TYR A 21 8.379 18.290 3.815 1.00 1.13 H new ATOM 0 HD2 TYR A 21 6.990 14.324 3.116 1.00 1.23 H new ATOM 0 HE1 TYR A 21 7.100 18.371 5.905 1.00 1.36 H new ATOM 0 HE2 TYR A 21 5.735 14.393 5.226 1.00 1.60 H new ATOM 0 HH TYR A 21 5.145 15.595 6.989 1.00 1.85 H new ATOM 311 N ILE A 22 8.929 15.938 -0.849 1.00 0.23 N ATOM 312 CA ILE A 22 8.917 15.260 -2.135 1.00 0.18 C ATOM 313 C ILE A 22 9.392 13.826 -1.982 1.00 0.16 C ATOM 314 O ILE A 22 10.177 13.513 -1.093 1.00 0.19 O ATOM 315 CB ILE A 22 9.789 16.004 -3.171 1.00 0.21 C ATOM 316 CG1 ILE A 22 11.226 16.131 -2.673 1.00 0.29 C ATOM 317 CG2 ILE A 22 9.206 17.376 -3.479 1.00 0.26 C ATOM 318 CD1 ILE A 22 12.170 15.157 -3.335 1.00 0.40 C ATOM 0 H ILE A 22 9.819 15.888 -0.353 1.00 0.23 H new ATOM 0 HA ILE A 22 7.890 15.256 -2.500 1.00 0.18 H new ATOM 0 HB ILE A 22 9.796 15.421 -4.092 1.00 0.21 H new ATOM 0 HG12 ILE A 22 11.578 17.147 -2.852 1.00 0.29 H new ATOM 0 HG13 ILE A 22 11.246 15.972 -1.595 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.835 17.883 -4.211 1.00 0.26 H new ATOM 0 HG22 ILE A 22 8.200 17.262 -3.883 1.00 0.26 H new ATOM 0 HG23 ILE A 22 9.165 17.967 -2.564 1.00 0.26 H new ATOM 0 HD11 ILE A 22 13.175 15.298 -2.938 1.00 0.40 H new ATOM 0 HD12 ILE A 22 11.840 14.138 -3.135 1.00 0.40 H new ATOM 0 HD13 ILE A 22 12.177 15.331 -4.411 1.00 0.40 H new ATOM 330 N LYS A 23 8.897 12.967 -2.847 1.00 0.17 N ATOM 331 CA LYS A 23 9.148 11.545 -2.742 1.00 0.20 C ATOM 332 C LYS A 23 10.096 11.095 -3.836 1.00 0.18 C ATOM 333 O LYS A 23 10.048 11.603 -4.938 1.00 0.28 O ATOM 334 CB LYS A 23 7.846 10.749 -2.833 1.00 0.32 C ATOM 335 CG LYS A 23 8.043 9.243 -2.685 1.00 0.32 C ATOM 336 CD LYS A 23 7.327 8.479 -3.786 1.00 0.49 C ATOM 337 CE LYS A 23 5.812 8.601 -3.662 1.00 0.88 C ATOM 338 NZ LYS A 23 5.094 7.863 -4.741 1.00 1.17 N ATOM 0 H LYS A 23 8.312 13.232 -3.639 1.00 0.17 H new ATOM 0 HA LYS A 23 9.603 11.357 -1.770 1.00 0.20 H new ATOM 0 HB2 LYS A 23 7.162 11.096 -2.058 1.00 0.32 H new ATOM 0 HB3 LYS A 23 7.371 10.953 -3.793 1.00 0.32 H new ATOM 0 HG2 LYS A 23 9.107 9.010 -2.711 1.00 0.32 H new ATOM 0 HG3 LYS A 23 7.669 8.919 -1.713 1.00 0.32 H new ATOM 0 HD2 LYS A 23 7.644 8.857 -4.758 1.00 0.49 H new ATOM 0 HD3 LYS A 23 7.612 7.428 -3.745 1.00 0.49 H new ATOM 0 HE2 LYS A 23 5.497 8.218 -2.691 1.00 0.88 H new ATOM 0 HE3 LYS A 23 5.531 9.654 -3.696 1.00 0.88 H new ATOM 0 HZ1 LYS A 23 4.174 7.536 -4.384 1.00 1.17 H new ATOM 0 HZ2 LYS A 23 4.946 8.494 -5.554 1.00 1.17 H new ATOM 0 HZ3 LYS A 23 5.661 7.044 -5.038 1.00 1.17 H new ATOM 352 N LEU A 24 11.001 10.206 -3.516 1.00 0.18 N ATOM 353 CA LEU A 24 11.793 9.576 -4.551 1.00 0.17 C ATOM 354 C LEU A 24 11.509 8.085 -4.562 1.00 0.20 C ATOM 355 O LEU A 24 11.239 7.481 -3.520 1.00 0.29 O ATOM 356 CB LEU A 24 13.301 9.818 -4.397 1.00 0.20 C ATOM 357 CG LEU A 24 13.780 11.278 -4.369 1.00 0.21 C ATOM 358 CD1 LEU A 24 13.188 12.074 -5.526 1.00 0.19 C ATOM 359 CD2 LEU A 24 13.465 11.936 -3.032 1.00 0.24 C ATOM 0 H LEU A 24 11.209 9.903 -2.565 1.00 0.18 H new ATOM 0 HA LEU A 24 11.502 10.032 -5.497 1.00 0.17 H new ATOM 0 HB2 LEU A 24 13.627 9.338 -3.474 1.00 0.20 H new ATOM 0 HB3 LEU A 24 13.810 9.311 -5.217 1.00 0.20 H new ATOM 0 HG LEU A 24 14.863 11.273 -4.489 1.00 0.21 H new ATOM 0 HD11 LEU A 24 13.545 13.103 -5.480 1.00 0.19 H new ATOM 0 HD12 LEU A 24 13.495 11.626 -6.471 1.00 0.19 H new ATOM 0 HD13 LEU A 24 12.100 12.064 -5.456 1.00 0.19 H new ATOM 0 HD21 LEU A 24 13.816 12.968 -3.043 1.00 0.24 H new ATOM 0 HD22 LEU A 24 12.388 11.921 -2.864 1.00 0.24 H new ATOM 0 HD23 LEU A 24 13.965 11.391 -2.231 1.00 0.24 H new ATOM 371 N LYS A 25 11.548 7.514 -5.743 1.00 0.15 N ATOM 372 CA LYS A 25 11.344 6.095 -5.930 1.00 0.16 C ATOM 373 C LYS A 25 12.698 5.425 -6.037 1.00 0.12 C ATOM 374 O LYS A 25 13.374 5.545 -7.055 1.00 0.13 O ATOM 375 CB LYS A 25 10.533 5.876 -7.216 1.00 0.22 C ATOM 376 CG LYS A 25 10.439 4.431 -7.684 1.00 0.70 C ATOM 377 CD LYS A 25 9.532 3.602 -6.812 1.00 0.48 C ATOM 378 CE LYS A 25 9.211 2.284 -7.482 1.00 0.52 C ATOM 379 NZ LYS A 25 8.648 2.462 -8.850 1.00 1.11 N ATOM 0 H LYS A 25 11.724 8.024 -6.608 1.00 0.15 H new ATOM 0 HA LYS A 25 10.797 5.667 -5.090 1.00 0.16 H new ATOM 0 HB2 LYS A 25 9.524 6.257 -7.059 1.00 0.22 H new ATOM 0 HB3 LYS A 25 10.978 6.471 -8.013 1.00 0.22 H new ATOM 0 HG2 LYS A 25 10.073 4.408 -8.710 1.00 0.70 H new ATOM 0 HG3 LYS A 25 11.435 3.989 -7.691 1.00 0.70 H new ATOM 0 HD2 LYS A 25 10.010 3.420 -5.849 1.00 0.48 H new ATOM 0 HD3 LYS A 25 8.611 4.149 -6.612 1.00 0.48 H new ATOM 0 HE2 LYS A 25 10.116 1.680 -7.541 1.00 0.52 H new ATOM 0 HE3 LYS A 25 8.499 1.732 -6.868 1.00 0.52 H new ATOM 0 HZ1 LYS A 25 8.097 1.619 -9.111 1.00 1.11 H new ATOM 0 HZ2 LYS A 25 8.030 3.298 -8.865 1.00 1.11 H new ATOM 0 HZ3 LYS A 25 9.424 2.593 -9.530 1.00 1.11 H new ATOM 393 N VAL A 26 13.102 4.731 -4.990 1.00 0.13 N ATOM 394 CA VAL A 26 14.390 4.070 -5.009 1.00 0.13 C ATOM 395 C VAL A 26 14.242 2.650 -5.531 1.00 0.13 C ATOM 396 O VAL A 26 13.386 1.886 -5.081 1.00 0.16 O ATOM 397 CB VAL A 26 15.091 4.083 -3.624 1.00 0.18 C ATOM 398 CG1 VAL A 26 14.630 2.945 -2.726 1.00 0.42 C ATOM 399 CG2 VAL A 26 16.596 4.046 -3.799 1.00 0.36 C ATOM 0 H VAL A 26 12.567 4.612 -4.130 1.00 0.13 H new ATOM 0 HA VAL A 26 15.033 4.634 -5.684 1.00 0.13 H new ATOM 0 HB VAL A 26 14.808 5.011 -3.128 1.00 0.18 H new ATOM 0 HG11 VAL A 26 15.151 3.001 -1.771 1.00 0.42 H new ATOM 0 HG12 VAL A 26 13.556 3.026 -2.559 1.00 0.42 H new ATOM 0 HG13 VAL A 26 14.852 1.991 -3.205 1.00 0.42 H new ATOM 0 HG21 VAL A 26 17.076 4.056 -2.821 1.00 0.36 H new ATOM 0 HG22 VAL A 26 16.878 3.139 -4.333 1.00 0.36 H new ATOM 0 HG23 VAL A 26 16.917 4.917 -4.370 1.00 0.36 H new ATOM 409 N ILE A 27 15.023 2.338 -6.540 1.00 0.12 N ATOM 410 CA ILE A 27 15.033 1.016 -7.125 1.00 0.14 C ATOM 411 C ILE A 27 16.269 0.257 -6.669 1.00 0.16 C ATOM 412 O ILE A 27 17.388 0.656 -6.976 1.00 0.21 O ATOM 413 CB ILE A 27 15.043 1.086 -8.664 1.00 0.17 C ATOM 414 CG1 ILE A 27 14.061 2.143 -9.178 1.00 0.19 C ATOM 415 CG2 ILE A 27 14.704 -0.277 -9.238 1.00 0.21 C ATOM 416 CD1 ILE A 27 12.613 1.834 -8.864 1.00 0.23 C ATOM 0 H ILE A 27 15.670 2.994 -6.979 1.00 0.12 H new ATOM 0 HA ILE A 27 14.129 0.503 -6.797 1.00 0.14 H new ATOM 0 HB ILE A 27 16.041 1.377 -8.991 1.00 0.17 H new ATOM 0 HG12 ILE A 27 14.320 3.108 -8.743 1.00 0.19 H new ATOM 0 HG13 ILE A 27 14.177 2.239 -10.258 1.00 0.19 H new ATOM 0 HG21 ILE A 27 14.712 -0.225 -10.327 1.00 0.21 H new ATOM 0 HG22 ILE A 27 15.442 -1.006 -8.904 1.00 0.21 H new ATOM 0 HG23 ILE A 27 13.714 -0.580 -8.896 1.00 0.21 H new ATOM 0 HD11 ILE A 27 11.978 2.627 -9.259 1.00 0.23 H new ATOM 0 HD12 ILE A 27 12.336 0.885 -9.322 1.00 0.23 H new ATOM 0 HD13 ILE A 27 12.481 1.768 -7.784 1.00 0.23 H new ATOM 428 N GLY A 28 16.072 -0.831 -5.947 1.00 0.20 N ATOM 429 CA GLY A 28 17.193 -1.616 -5.483 1.00 0.24 C ATOM 430 C GLY A 28 17.579 -2.678 -6.490 1.00 0.26 C ATOM 431 O GLY A 28 16.765 -3.062 -7.330 1.00 0.27 O ATOM 0 H GLY A 28 15.156 -1.186 -5.673 1.00 0.20 H new ATOM 0 HA2 GLY A 28 18.045 -0.962 -5.297 1.00 0.24 H new ATOM 0 HA3 GLY A 28 16.940 -2.088 -4.533 1.00 0.24 H new ATOM 435 N GLN A 29 18.811 -3.161 -6.404 1.00 0.28 N ATOM 436 CA GLN A 29 19.311 -4.178 -7.320 1.00 0.33 C ATOM 437 C GLN A 29 18.597 -5.512 -7.119 1.00 0.43 C ATOM 438 O GLN A 29 18.677 -6.407 -7.960 1.00 0.56 O ATOM 439 CB GLN A 29 20.818 -4.335 -7.125 1.00 0.34 C ATOM 440 CG GLN A 29 21.557 -3.032 -7.295 1.00 0.40 C ATOM 441 CD GLN A 29 23.058 -3.197 -7.332 1.00 0.34 C ATOM 442 OE1 GLN A 29 23.755 -2.191 -6.844 1.00 0.63 O flip ATOM 443 NE2 GLN A 29 23.584 -4.214 -7.784 1.00 0.21 N flip ATOM 0 H GLN A 29 19.488 -2.862 -5.702 1.00 0.28 H new ATOM 0 HA GLN A 29 19.109 -3.857 -8.342 1.00 0.33 H new ATOM 0 HB2 GLN A 29 21.013 -4.733 -6.129 1.00 0.34 H new ATOM 0 HB3 GLN A 29 21.201 -5.063 -7.840 1.00 0.34 H new ATOM 0 HG2 GLN A 29 21.228 -2.553 -8.217 1.00 0.40 H new ATOM 0 HG3 GLN A 29 21.292 -2.363 -6.477 1.00 0.40 H new ATOM 0 HE21 GLN A 29 23.004 -4.968 -8.152 1.00 0.21 H new ATOM 0 HE22 GLN A 29 24.600 -4.303 -7.791 1.00 0.21 H new ATOM 452 N ASP A 30 17.894 -5.641 -5.999 1.00 0.46 N ATOM 453 CA ASP A 30 17.094 -6.832 -5.731 1.00 0.58 C ATOM 454 C ASP A 30 15.631 -6.575 -6.093 1.00 0.50 C ATOM 455 O ASP A 30 14.739 -7.320 -5.695 1.00 0.55 O ATOM 456 CB ASP A 30 17.214 -7.229 -4.258 1.00 0.75 C ATOM 457 CG ASP A 30 16.712 -8.636 -3.984 1.00 1.50 C ATOM 458 OD1 ASP A 30 17.324 -9.599 -4.491 1.00 1.88 O ATOM 459 OD2 ASP A 30 15.719 -8.783 -3.245 1.00 2.12 O ATOM 0 H ASP A 30 17.861 -4.936 -5.262 1.00 0.46 H new ATOM 0 HA ASP A 30 17.468 -7.652 -6.344 1.00 0.58 H new ATOM 0 HB2 ASP A 30 18.257 -7.154 -3.950 1.00 0.75 H new ATOM 0 HB3 ASP A 30 16.650 -6.522 -3.649 1.00 0.75 H new ATOM 464 N SER A 31 15.402 -5.496 -6.841 1.00 0.44 N ATOM 465 CA SER A 31 14.068 -5.129 -7.322 1.00 0.45 C ATOM 466 C SER A 31 13.172 -4.606 -6.189 1.00 0.45 C ATOM 467 O SER A 31 11.975 -4.377 -6.387 1.00 0.54 O ATOM 468 CB SER A 31 13.410 -6.320 -8.036 1.00 0.53 C ATOM 469 OG SER A 31 12.117 -5.994 -8.517 1.00 1.48 O ATOM 0 H SER A 31 16.136 -4.850 -7.131 1.00 0.44 H new ATOM 0 HA SER A 31 14.188 -4.315 -8.037 1.00 0.45 H new ATOM 0 HB2 SER A 31 14.038 -6.638 -8.868 1.00 0.53 H new ATOM 0 HB3 SER A 31 13.341 -7.163 -7.349 1.00 0.53 H new ATOM 0 HG SER A 31 11.718 -5.307 -7.943 1.00 1.48 H new ATOM 475 N SER A 32 13.744 -4.430 -5.006 1.00 0.47 N ATOM 476 CA SER A 32 13.042 -3.796 -3.911 1.00 0.51 C ATOM 477 C SER A 32 12.964 -2.295 -4.163 1.00 0.41 C ATOM 478 O SER A 32 13.989 -1.646 -4.364 1.00 0.50 O ATOM 479 CB SER A 32 13.777 -4.099 -2.608 1.00 0.65 C ATOM 480 OG SER A 32 14.031 -5.491 -2.509 1.00 1.32 O ATOM 0 H SER A 32 14.696 -4.720 -4.785 1.00 0.47 H new ATOM 0 HA SER A 32 12.026 -4.183 -3.835 1.00 0.51 H new ATOM 0 HB2 SER A 32 14.716 -3.546 -2.573 1.00 0.65 H new ATOM 0 HB3 SER A 32 13.180 -3.768 -1.758 1.00 0.65 H new ATOM 0 HG SER A 32 14.807 -5.642 -1.929 1.00 1.32 H new ATOM 486 N GLU A 33 11.757 -1.750 -4.168 1.00 0.29 N ATOM 487 CA GLU A 33 11.561 -0.348 -4.502 1.00 0.25 C ATOM 488 C GLU A 33 10.897 0.369 -3.330 1.00 0.20 C ATOM 489 O GLU A 33 9.872 -0.086 -2.822 1.00 0.28 O ATOM 490 CB GLU A 33 10.693 -0.201 -5.748 1.00 0.36 C ATOM 491 CG GLU A 33 11.053 -1.153 -6.879 1.00 0.66 C ATOM 492 CD GLU A 33 9.970 -1.219 -7.937 1.00 1.18 C ATOM 493 OE1 GLU A 33 9.965 -0.356 -8.842 1.00 1.62 O ATOM 494 OE2 GLU A 33 9.132 -2.140 -7.880 1.00 1.70 O ATOM 0 H GLU A 33 10.900 -2.256 -3.945 1.00 0.29 H new ATOM 0 HA GLU A 33 12.535 0.098 -4.705 1.00 0.25 H new ATOM 0 HB2 GLU A 33 9.651 -0.362 -5.471 1.00 0.36 H new ATOM 0 HB3 GLU A 33 10.772 0.823 -6.112 1.00 0.36 H new ATOM 0 HG2 GLU A 33 11.988 -0.832 -7.338 1.00 0.66 H new ATOM 0 HG3 GLU A 33 11.223 -2.150 -6.472 1.00 0.66 H new ATOM 501 N ILE A 34 11.476 1.486 -2.908 1.00 0.18 N ATOM 502 CA ILE A 34 11.016 2.174 -1.707 1.00 0.18 C ATOM 503 C ILE A 34 10.727 3.644 -2.000 1.00 0.22 C ATOM 504 O ILE A 34 11.413 4.274 -2.803 1.00 0.29 O ATOM 505 CB ILE A 34 12.041 2.076 -0.549 1.00 0.29 C ATOM 506 CG1 ILE A 34 12.384 0.618 -0.233 1.00 0.73 C ATOM 507 CG2 ILE A 34 11.509 2.758 0.700 1.00 1.07 C ATOM 508 CD1 ILE A 34 13.477 0.031 -1.105 1.00 0.26 C ATOM 0 H ILE A 34 12.263 1.934 -3.377 1.00 0.18 H new ATOM 0 HA ILE A 34 10.098 1.675 -1.395 1.00 0.18 H new ATOM 0 HB ILE A 34 12.949 2.584 -0.873 1.00 0.29 H new ATOM 0 HG12 ILE A 34 12.691 0.547 0.811 1.00 0.73 H new ATOM 0 HG13 ILE A 34 11.484 0.013 -0.343 1.00 0.73 H new ATOM 0 HG21 ILE A 34 12.245 2.677 1.500 1.00 1.07 H new ATOM 0 HG22 ILE A 34 11.319 3.810 0.487 1.00 1.07 H new ATOM 0 HG23 ILE A 34 10.581 2.277 1.010 1.00 1.07 H new ATOM 0 HD11 ILE A 34 13.658 -1.004 -0.815 1.00 0.26 H new ATOM 0 HD12 ILE A 34 13.167 0.066 -2.150 1.00 0.26 H new ATOM 0 HD13 ILE A 34 14.393 0.608 -0.978 1.00 0.26 H new ATOM 520 N HIS A 35 9.689 4.167 -1.366 1.00 0.24 N ATOM 521 CA HIS A 35 9.283 5.554 -1.557 1.00 0.28 C ATOM 522 C HIS A 35 9.776 6.400 -0.382 1.00 0.26 C ATOM 523 O HIS A 35 9.468 6.093 0.767 1.00 0.42 O ATOM 524 CB HIS A 35 7.754 5.641 -1.640 1.00 0.38 C ATOM 525 CG HIS A 35 7.121 4.582 -2.497 1.00 0.51 C ATOM 526 ND1 HIS A 35 6.255 3.633 -1.997 1.00 0.76 N ATOM 527 CD2 HIS A 35 7.225 4.329 -3.820 1.00 0.62 C ATOM 528 CE1 HIS A 35 5.851 2.847 -2.975 1.00 0.90 C ATOM 529 NE2 HIS A 35 6.423 3.248 -4.091 1.00 0.79 N ATOM 0 H HIS A 35 9.107 3.648 -0.709 1.00 0.24 H new ATOM 0 HA HIS A 35 9.717 5.929 -2.484 1.00 0.28 H new ATOM 0 HB2 HIS A 35 7.342 5.571 -0.633 1.00 0.38 H new ATOM 0 HB3 HIS A 35 7.478 6.621 -2.030 1.00 0.38 H new ATOM 0 HD2 HIS A 35 7.827 4.875 -4.532 1.00 0.62 H new ATOM 0 HE1 HIS A 35 5.168 2.016 -2.878 1.00 0.90 H new ATOM 0 HE2 HIS A 35 6.291 2.824 -5.009 1.00 0.79 H new ATOM 538 N PHE A 36 10.547 7.450 -0.660 1.00 0.28 N ATOM 539 CA PHE A 36 11.076 8.316 0.400 1.00 0.23 C ATOM 540 C PHE A 36 10.544 9.739 0.288 1.00 0.21 C ATOM 541 O PHE A 36 10.658 10.351 -0.761 1.00 0.27 O ATOM 542 CB PHE A 36 12.599 8.401 0.278 1.00 0.34 C ATOM 543 CG PHE A 36 13.325 7.116 0.509 1.00 0.27 C ATOM 544 CD1 PHE A 36 13.409 6.173 -0.496 1.00 0.40 C ATOM 545 CD2 PHE A 36 13.943 6.863 1.722 1.00 0.42 C ATOM 546 CE1 PHE A 36 14.094 4.994 -0.295 1.00 0.46 C ATOM 547 CE2 PHE A 36 14.631 5.687 1.927 1.00 0.46 C ATOM 548 CZ PHE A 36 14.708 4.750 0.917 1.00 0.40 C ATOM 0 H PHE A 36 10.820 7.723 -1.604 1.00 0.28 H new ATOM 0 HA PHE A 36 10.766 7.882 1.351 1.00 0.23 H new ATOM 0 HB2 PHE A 36 12.848 8.768 -0.718 1.00 0.34 H new ATOM 0 HB3 PHE A 36 12.965 9.140 0.991 1.00 0.34 H new ATOM 0 HD1 PHE A 36 12.934 6.361 -1.448 1.00 0.40 H new ATOM 0 HD2 PHE A 36 13.885 7.594 2.515 1.00 0.42 H new ATOM 0 HE1 PHE A 36 14.150 4.261 -1.086 1.00 0.46 H new ATOM 0 HE2 PHE A 36 15.109 5.499 2.877 1.00 0.46 H new ATOM 0 HZ PHE A 36 15.247 3.828 1.074 1.00 0.40 H new ATOM 558 N LYS A 37 9.997 10.266 1.378 1.00 0.20 N ATOM 559 CA LYS A 37 9.546 11.655 1.415 1.00 0.21 C ATOM 560 C LYS A 37 10.559 12.545 2.136 1.00 0.21 C ATOM 561 O LYS A 37 10.568 12.651 3.364 1.00 0.26 O ATOM 562 CB LYS A 37 8.164 11.757 2.069 1.00 0.27 C ATOM 563 CG LYS A 37 7.024 11.789 1.059 1.00 0.32 C ATOM 564 CD LYS A 37 6.695 13.215 0.632 1.00 0.37 C ATOM 565 CE LYS A 37 5.849 13.246 -0.631 1.00 0.36 C ATOM 566 NZ LYS A 37 5.110 14.530 -0.782 1.00 0.96 N ATOM 0 H LYS A 37 9.855 9.753 2.248 1.00 0.20 H new ATOM 0 HA LYS A 37 9.464 12.011 0.388 1.00 0.21 H new ATOM 0 HB2 LYS A 37 8.023 10.910 2.740 1.00 0.27 H new ATOM 0 HB3 LYS A 37 8.124 12.658 2.681 1.00 0.27 H new ATOM 0 HG2 LYS A 37 7.296 11.200 0.183 1.00 0.32 H new ATOM 0 HG3 LYS A 37 6.139 11.325 1.493 1.00 0.32 H new ATOM 0 HD2 LYS A 37 6.164 13.722 1.438 1.00 0.37 H new ATOM 0 HD3 LYS A 37 7.620 13.766 0.463 1.00 0.37 H new ATOM 0 HE2 LYS A 37 6.490 13.093 -1.499 1.00 0.36 H new ATOM 0 HE3 LYS A 37 5.138 12.420 -0.610 1.00 0.36 H new ATOM 0 HZ1 LYS A 37 4.615 14.540 -1.696 1.00 0.96 H new ATOM 0 HZ2 LYS A 37 4.417 14.625 -0.012 1.00 0.96 H new ATOM 0 HZ3 LYS A 37 5.781 15.323 -0.743 1.00 0.96 H new ATOM 580 N VAL A 38 11.406 13.185 1.339 1.00 0.19 N ATOM 581 CA VAL A 38 12.455 14.078 1.829 1.00 0.20 C ATOM 582 C VAL A 38 12.153 15.512 1.411 1.00 0.19 C ATOM 583 O VAL A 38 11.345 15.742 0.510 1.00 0.20 O ATOM 584 CB VAL A 38 13.854 13.696 1.292 1.00 0.22 C ATOM 585 CG1 VAL A 38 14.102 12.204 1.442 1.00 0.28 C ATOM 586 CG2 VAL A 38 14.032 14.151 -0.154 1.00 0.21 C ATOM 0 H VAL A 38 11.386 13.099 0.323 1.00 0.19 H new ATOM 0 HA VAL A 38 12.467 13.984 2.915 1.00 0.20 H new ATOM 0 HB VAL A 38 14.601 14.218 1.891 1.00 0.22 H new ATOM 0 HG11 VAL A 38 15.092 11.959 1.057 1.00 0.28 H new ATOM 0 HG12 VAL A 38 14.044 11.930 2.495 1.00 0.28 H new ATOM 0 HG13 VAL A 38 13.348 11.652 0.881 1.00 0.28 H new ATOM 0 HG21 VAL A 38 15.025 13.869 -0.505 1.00 0.21 H new ATOM 0 HG22 VAL A 38 13.277 13.676 -0.781 1.00 0.21 H new ATOM 0 HG23 VAL A 38 13.921 15.234 -0.211 1.00 0.21 H new ATOM 596 N LYS A 39 12.759 16.478 2.083 1.00 0.21 N ATOM 597 CA LYS A 39 12.562 17.869 1.718 1.00 0.20 C ATOM 598 C LYS A 39 13.283 18.195 0.419 1.00 0.18 C ATOM 599 O LYS A 39 14.262 17.532 0.074 1.00 0.18 O ATOM 600 CB LYS A 39 13.038 18.796 2.822 1.00 0.24 C ATOM 601 CG LYS A 39 11.952 19.190 3.810 1.00 0.86 C ATOM 602 CD LYS A 39 10.827 19.966 3.148 1.00 1.47 C ATOM 603 CE LYS A 39 9.786 20.404 4.164 1.00 1.82 C ATOM 604 NZ LYS A 39 10.349 21.348 5.168 1.00 2.43 N ATOM 0 H LYS A 39 13.384 16.326 2.875 1.00 0.21 H new ATOM 0 HA LYS A 39 11.493 18.023 1.574 1.00 0.20 H new ATOM 0 HB2 LYS A 39 13.850 18.311 3.364 1.00 0.24 H new ATOM 0 HB3 LYS A 39 13.450 19.699 2.372 1.00 0.24 H new ATOM 0 HG2 LYS A 39 11.546 18.293 4.278 1.00 0.86 H new ATOM 0 HG3 LYS A 39 12.389 19.794 4.605 1.00 0.86 H new ATOM 0 HD2 LYS A 39 11.235 20.841 2.642 1.00 1.47 H new ATOM 0 HD3 LYS A 39 10.355 19.347 2.385 1.00 1.47 H new ATOM 0 HE2 LYS A 39 8.952 20.879 3.647 1.00 1.82 H new ATOM 0 HE3 LYS A 39 9.386 19.528 4.674 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 9.574 21.853 5.643 1.00 2.43 H new ATOM 0 HZ2 LYS A 39 10.900 20.817 5.873 1.00 2.43 H new ATOM 0 HZ3 LYS A 39 10.968 22.034 4.691 1.00 2.43 H new ATOM 618 N MET A 40 12.787 19.190 -0.309 1.00 0.18 N ATOM 619 CA MET A 40 13.358 19.562 -1.602 1.00 0.18 C ATOM 620 C MET A 40 14.877 19.678 -1.540 1.00 0.17 C ATOM 621 O MET A 40 15.579 19.194 -2.427 1.00 0.20 O ATOM 622 CB MET A 40 12.760 20.880 -2.101 1.00 0.23 C ATOM 623 CG MET A 40 11.453 20.713 -2.863 1.00 0.30 C ATOM 624 SD MET A 40 11.693 20.473 -4.640 1.00 0.36 S ATOM 625 CE MET A 40 12.747 19.026 -4.679 1.00 0.33 C ATOM 0 H MET A 40 11.987 19.756 -0.025 1.00 0.18 H new ATOM 0 HA MET A 40 13.107 18.765 -2.302 1.00 0.18 H new ATOM 0 HB2 MET A 40 12.591 21.537 -1.248 1.00 0.23 H new ATOM 0 HB3 MET A 40 13.485 21.376 -2.746 1.00 0.23 H new ATOM 0 HG2 MET A 40 10.909 19.860 -2.457 1.00 0.30 H new ATOM 0 HG3 MET A 40 10.831 21.593 -2.702 1.00 0.30 H new ATOM 0 HE1 MET A 40 12.929 18.736 -5.714 1.00 0.33 H new ATOM 0 HE2 MET A 40 13.696 19.254 -4.193 1.00 0.33 H new ATOM 0 HE3 MET A 40 12.258 18.206 -4.153 1.00 0.33 H new ATOM 635 N THR A 41 15.385 20.262 -0.467 1.00 0.17 N ATOM 636 CA THR A 41 16.807 20.523 -0.350 1.00 0.17 C ATOM 637 C THR A 41 17.439 19.576 0.674 1.00 0.18 C ATOM 638 O THR A 41 18.341 19.947 1.431 1.00 0.20 O ATOM 639 CB THR A 41 17.094 21.994 0.019 1.00 0.20 C ATOM 640 OG1 THR A 41 16.812 22.232 1.405 1.00 0.27 O ATOM 641 CG2 THR A 41 16.249 22.933 -0.827 1.00 0.25 C ATOM 0 H THR A 41 14.832 20.564 0.335 1.00 0.17 H new ATOM 0 HA THR A 41 17.257 20.341 -1.326 1.00 0.17 H new ATOM 0 HB THR A 41 18.150 22.185 -0.173 1.00 0.20 H new ATOM 0 HG1 THR A 41 15.842 22.273 1.539 1.00 0.27 H new ATOM 0 HG21 THR A 41 16.466 23.965 -0.552 1.00 0.25 H new ATOM 0 HG22 THR A 41 16.482 22.782 -1.881 1.00 0.25 H new ATOM 0 HG23 THR A 41 15.193 22.726 -0.655 1.00 0.25 H new ATOM 649 N THR A 42 16.965 18.335 0.678 1.00 0.17 N ATOM 650 CA THR A 42 17.457 17.328 1.607 1.00 0.19 C ATOM 651 C THR A 42 18.645 16.571 1.009 1.00 0.15 C ATOM 652 O THR A 42 18.580 16.129 -0.137 1.00 0.15 O ATOM 653 CB THR A 42 16.345 16.306 1.917 1.00 0.24 C ATOM 654 OG1 THR A 42 15.590 16.728 3.060 1.00 0.39 O ATOM 655 CG2 THR A 42 16.930 14.913 2.129 1.00 0.18 C ATOM 0 H THR A 42 16.238 18.003 0.045 1.00 0.17 H new ATOM 0 HA THR A 42 17.768 17.840 2.517 1.00 0.19 H new ATOM 0 HB THR A 42 15.672 16.255 1.061 1.00 0.24 H new ATOM 0 HG1 THR A 42 15.709 17.692 3.193 1.00 0.39 H new ATOM 0 HG21 THR A 42 16.126 14.210 2.346 1.00 0.18 H new ATOM 0 HG22 THR A 42 17.454 14.597 1.227 1.00 0.18 H new ATOM 0 HG23 THR A 42 17.628 14.935 2.966 1.00 0.18 H new ATOM 663 N HIS A 43 19.722 16.413 1.794 1.00 0.15 N ATOM 664 CA HIS A 43 20.886 15.642 1.344 1.00 0.13 C ATOM 665 C HIS A 43 20.453 14.271 0.902 1.00 0.12 C ATOM 666 O HIS A 43 19.935 13.486 1.699 1.00 0.14 O ATOM 667 CB HIS A 43 21.945 15.475 2.435 1.00 0.16 C ATOM 668 CG HIS A 43 22.765 16.707 2.691 1.00 0.28 C ATOM 669 ND1 HIS A 43 24.138 16.680 2.814 1.00 1.06 N ATOM 670 CD2 HIS A 43 22.404 18.005 2.833 1.00 0.82 C ATOM 671 CE1 HIS A 43 24.583 17.905 3.023 1.00 0.93 C ATOM 672 NE2 HIS A 43 23.554 18.728 3.039 1.00 0.55 N ATOM 0 H HIS A 43 19.809 16.804 2.732 1.00 0.15 H new ATOM 0 HA HIS A 43 21.327 16.203 0.520 1.00 0.13 H new ATOM 0 HB2 HIS A 43 21.452 15.181 3.362 1.00 0.16 H new ATOM 0 HB3 HIS A 43 22.612 14.660 2.156 1.00 0.16 H new ATOM 0 HD2 HIS A 43 21.399 18.398 2.792 1.00 0.82 H new ATOM 0 HE1 HIS A 43 25.617 18.186 3.158 1.00 0.93 H new ATOM 0 HE2 HIS A 43 23.603 19.737 3.181 1.00 0.55 H new ATOM 681 N LEU A 44 20.679 13.973 -0.356 1.00 0.12 N ATOM 682 CA LEU A 44 20.273 12.707 -0.903 1.00 0.14 C ATOM 683 C LEU A 44 21.152 11.591 -0.376 1.00 0.16 C ATOM 684 O LEU A 44 20.832 10.425 -0.570 1.00 0.19 O ATOM 685 CB LEU A 44 20.348 12.741 -2.422 1.00 0.14 C ATOM 686 CG LEU A 44 19.051 12.449 -3.167 1.00 0.14 C ATOM 687 CD1 LEU A 44 17.858 12.922 -2.359 1.00 0.15 C ATOM 688 CD2 LEU A 44 19.061 13.117 -4.531 1.00 0.21 C ATOM 0 H LEU A 44 21.143 14.594 -1.019 1.00 0.12 H new ATOM 0 HA LEU A 44 19.244 12.519 -0.598 1.00 0.14 H new ATOM 0 HB2 LEU A 44 20.703 13.726 -2.725 1.00 0.14 H new ATOM 0 HB3 LEU A 44 21.098 12.019 -2.744 1.00 0.14 H new ATOM 0 HG LEU A 44 18.970 11.371 -3.308 1.00 0.14 H new ATOM 0 HD11 LEU A 44 16.940 12.706 -2.905 1.00 0.15 H new ATOM 0 HD12 LEU A 44 17.840 12.404 -1.400 1.00 0.15 H new ATOM 0 HD13 LEU A 44 17.936 13.996 -2.190 1.00 0.15 H new ATOM 0 HD21 LEU A 44 18.128 12.899 -5.050 1.00 0.21 H new ATOM 0 HD22 LEU A 44 19.164 14.195 -4.407 1.00 0.21 H new ATOM 0 HD23 LEU A 44 19.899 12.737 -5.116 1.00 0.21 H new ATOM 700 N LYS A 45 22.244 11.924 0.327 1.00 0.16 N ATOM 701 CA LYS A 45 23.070 10.914 0.960 1.00 0.17 C ATOM 702 C LYS A 45 22.261 10.171 1.985 1.00 0.16 C ATOM 703 O LYS A 45 22.341 8.953 2.091 1.00 0.16 O ATOM 704 CB LYS A 45 24.252 11.568 1.672 1.00 0.19 C ATOM 705 CG LYS A 45 25.138 10.579 2.402 1.00 0.28 C ATOM 706 CD LYS A 45 25.992 9.796 1.434 1.00 0.51 C ATOM 707 CE LYS A 45 26.085 8.342 1.820 1.00 0.43 C ATOM 708 NZ LYS A 45 26.923 8.141 3.036 1.00 1.13 N ATOM 0 H LYS A 45 22.565 12.882 0.465 1.00 0.16 H new ATOM 0 HA LYS A 45 23.431 10.232 0.190 1.00 0.17 H new ATOM 0 HB2 LYS A 45 24.852 12.111 0.941 1.00 0.19 H new ATOM 0 HB3 LYS A 45 23.876 12.302 2.384 1.00 0.19 H new ATOM 0 HG2 LYS A 45 25.777 11.110 3.108 1.00 0.28 H new ATOM 0 HG3 LYS A 45 24.521 9.894 2.984 1.00 0.28 H new ATOM 0 HD2 LYS A 45 25.574 9.880 0.431 1.00 0.51 H new ATOM 0 HD3 LYS A 45 26.992 10.228 1.400 1.00 0.51 H new ATOM 0 HE2 LYS A 45 25.084 7.950 2.000 1.00 0.43 H new ATOM 0 HE3 LYS A 45 26.506 7.773 0.991 1.00 0.43 H new ATOM 0 HZ1 LYS A 45 26.505 7.394 3.626 1.00 1.13 H new ATOM 0 HZ2 LYS A 45 27.884 7.862 2.753 1.00 1.13 H new ATOM 0 HZ3 LYS A 45 26.966 9.027 3.579 1.00 1.13 H new ATOM 722 N LYS A 46 21.488 10.933 2.736 1.00 0.17 N ATOM 723 CA LYS A 46 20.651 10.385 3.774 1.00 0.17 C ATOM 724 C LYS A 46 19.728 9.353 3.162 1.00 0.15 C ATOM 725 O LYS A 46 19.598 8.252 3.680 1.00 0.16 O ATOM 726 CB LYS A 46 19.870 11.512 4.448 1.00 0.21 C ATOM 727 CG LYS A 46 20.781 12.586 5.025 1.00 0.73 C ATOM 728 CD LYS A 46 20.009 13.724 5.668 1.00 1.32 C ATOM 729 CE LYS A 46 19.157 13.238 6.827 1.00 1.72 C ATOM 730 NZ LYS A 46 18.655 14.367 7.655 1.00 2.63 N ATOM 0 H LYS A 46 21.426 11.947 2.640 1.00 0.17 H new ATOM 0 HA LYS A 46 21.256 9.897 4.538 1.00 0.17 H new ATOM 0 HB2 LYS A 46 19.193 11.965 3.724 1.00 0.21 H new ATOM 0 HB3 LYS A 46 19.253 11.097 5.245 1.00 0.21 H new ATOM 0 HG2 LYS A 46 21.442 12.136 5.766 1.00 0.73 H new ATOM 0 HG3 LYS A 46 21.414 12.984 4.232 1.00 0.73 H new ATOM 0 HD2 LYS A 46 20.707 14.483 6.022 1.00 1.32 H new ATOM 0 HD3 LYS A 46 19.372 14.199 4.922 1.00 1.32 H new ATOM 0 HE2 LYS A 46 18.313 12.666 6.443 1.00 1.72 H new ATOM 0 HE3 LYS A 46 19.743 12.562 7.450 1.00 1.72 H new ATOM 0 HZ1 LYS A 46 18.106 13.993 8.455 1.00 2.63 H new ATOM 0 HZ2 LYS A 46 19.460 14.918 8.015 1.00 2.63 H new ATOM 0 HZ3 LYS A 46 18.047 14.980 7.075 1.00 2.63 H new ATOM 744 N LEU A 47 19.129 9.716 2.030 1.00 0.15 N ATOM 745 CA LEU A 47 18.310 8.790 1.245 1.00 0.15 C ATOM 746 C LEU A 47 19.090 7.514 0.912 1.00 0.13 C ATOM 747 O LEU A 47 18.605 6.378 1.123 1.00 0.12 O ATOM 748 CB LEU A 47 17.853 9.494 -0.048 1.00 0.17 C ATOM 749 CG LEU A 47 17.170 8.599 -1.090 1.00 0.19 C ATOM 750 CD1 LEU A 47 15.975 9.312 -1.698 1.00 0.57 C ATOM 751 CD2 LEU A 47 18.154 8.210 -2.187 1.00 0.56 C ATOM 0 H LEU A 47 19.196 10.653 1.632 1.00 0.15 H new ATOM 0 HA LEU A 47 17.438 8.501 1.832 1.00 0.15 H new ATOM 0 HB2 LEU A 47 17.166 10.296 0.221 1.00 0.17 H new ATOM 0 HB3 LEU A 47 18.722 9.961 -0.512 1.00 0.17 H new ATOM 0 HG LEU A 47 16.825 7.694 -0.590 1.00 0.19 H new ATOM 0 HD11 LEU A 47 15.501 8.664 -2.435 1.00 0.57 H new ATOM 0 HD12 LEU A 47 15.258 9.554 -0.914 1.00 0.57 H new ATOM 0 HD13 LEU A 47 16.307 10.230 -2.182 1.00 0.57 H new ATOM 0 HD21 LEU A 47 17.652 7.575 -2.917 1.00 0.56 H new ATOM 0 HD22 LEU A 47 18.523 9.109 -2.680 1.00 0.56 H new ATOM 0 HD23 LEU A 47 18.991 7.667 -1.749 1.00 0.56 H new ATOM 763 N LYS A 48 20.316 7.707 0.438 1.00 0.13 N ATOM 764 CA LYS A 48 21.170 6.598 0.061 1.00 0.13 C ATOM 765 C LYS A 48 21.405 5.711 1.269 1.00 0.12 C ATOM 766 O LYS A 48 21.305 4.485 1.194 1.00 0.13 O ATOM 767 CB LYS A 48 22.524 7.108 -0.464 1.00 0.15 C ATOM 768 CG LYS A 48 22.411 8.233 -1.481 1.00 0.18 C ATOM 769 CD LYS A 48 23.760 8.870 -1.790 1.00 0.31 C ATOM 770 CE LYS A 48 24.744 7.880 -2.383 1.00 0.40 C ATOM 771 NZ LYS A 48 26.049 8.525 -2.722 1.00 0.57 N ATOM 0 H LYS A 48 20.738 8.627 0.307 1.00 0.13 H new ATOM 0 HA LYS A 48 20.677 6.032 -0.730 1.00 0.13 H new ATOM 0 HB2 LYS A 48 23.122 7.454 0.379 1.00 0.15 H new ATOM 0 HB3 LYS A 48 23.063 6.276 -0.917 1.00 0.15 H new ATOM 0 HG2 LYS A 48 21.975 7.845 -2.402 1.00 0.18 H new ATOM 0 HG3 LYS A 48 21.730 8.995 -1.102 1.00 0.18 H new ATOM 0 HD2 LYS A 48 23.617 9.697 -2.485 1.00 0.31 H new ATOM 0 HD3 LYS A 48 24.178 9.291 -0.876 1.00 0.31 H new ATOM 0 HE2 LYS A 48 24.913 7.069 -1.675 1.00 0.40 H new ATOM 0 HE3 LYS A 48 24.315 7.435 -3.281 1.00 0.40 H new ATOM 0 HZ1 LYS A 48 26.772 7.791 -2.864 1.00 0.57 H new ATOM 0 HZ2 LYS A 48 25.945 9.082 -3.594 1.00 0.57 H new ATOM 0 HZ3 LYS A 48 26.339 9.151 -1.944 1.00 0.57 H new ATOM 785 N GLU A 49 21.690 6.348 2.388 1.00 0.12 N ATOM 786 CA GLU A 49 22.022 5.635 3.595 1.00 0.13 C ATOM 787 C GLU A 49 20.808 4.928 4.179 1.00 0.13 C ATOM 788 O GLU A 49 20.944 3.819 4.652 1.00 0.13 O ATOM 789 CB GLU A 49 22.669 6.545 4.633 1.00 0.15 C ATOM 790 CG GLU A 49 23.869 7.305 4.101 1.00 0.20 C ATOM 791 CD GLU A 49 24.798 7.759 5.198 1.00 0.36 C ATOM 792 OE1 GLU A 49 24.545 8.834 5.779 1.00 0.86 O ATOM 793 OE2 GLU A 49 25.762 7.038 5.509 1.00 0.82 O ATOM 0 H GLU A 49 21.697 7.364 2.481 1.00 0.12 H new ATOM 0 HA GLU A 49 22.754 4.875 3.320 1.00 0.13 H new ATOM 0 HB2 GLU A 49 21.927 7.258 4.994 1.00 0.15 H new ATOM 0 HB3 GLU A 49 22.978 5.945 5.489 1.00 0.15 H new ATOM 0 HG2 GLU A 49 24.417 6.670 3.405 1.00 0.20 H new ATOM 0 HG3 GLU A 49 23.525 8.173 3.538 1.00 0.20 H new ATOM 800 N SER A 50 19.624 5.546 4.149 1.00 0.14 N ATOM 801 CA SER A 50 18.432 4.874 4.669 1.00 0.15 C ATOM 802 C SER A 50 18.296 3.487 4.054 1.00 0.13 C ATOM 803 O SER A 50 18.208 2.479 4.781 1.00 0.13 O ATOM 804 CB SER A 50 17.163 5.684 4.393 1.00 0.19 C ATOM 805 OG SER A 50 17.390 6.693 3.428 1.00 1.08 O ATOM 0 H SER A 50 19.467 6.484 3.781 1.00 0.14 H new ATOM 0 HA SER A 50 18.552 4.785 5.749 1.00 0.15 H new ATOM 0 HB2 SER A 50 16.374 5.018 4.045 1.00 0.19 H new ATOM 0 HB3 SER A 50 16.812 6.138 5.320 1.00 0.19 H new ATOM 0 HG SER A 50 17.703 6.284 2.594 1.00 1.08 H new ATOM 811 N TYR A 51 18.341 3.422 2.722 1.00 0.13 N ATOM 812 CA TYR A 51 18.240 2.133 2.046 1.00 0.13 C ATOM 813 C TYR A 51 19.406 1.232 2.428 1.00 0.12 C ATOM 814 O TYR A 51 19.208 0.130 2.935 1.00 0.13 O ATOM 815 CB TYR A 51 18.201 2.301 0.527 1.00 0.18 C ATOM 816 CG TYR A 51 18.247 0.973 -0.219 1.00 0.19 C ATOM 817 CD1 TYR A 51 19.462 0.363 -0.534 1.00 0.20 C ATOM 818 CD2 TYR A 51 17.079 0.322 -0.590 1.00 0.41 C ATOM 819 CE1 TYR A 51 19.507 -0.848 -1.193 1.00 0.20 C ATOM 820 CE2 TYR A 51 17.120 -0.892 -1.252 1.00 0.45 C ATOM 821 CZ TYR A 51 18.333 -1.472 -1.548 1.00 0.29 C ATOM 822 OH TYR A 51 18.370 -2.673 -2.215 1.00 0.33 O ATOM 0 H TYR A 51 18.444 4.227 2.105 1.00 0.13 H new ATOM 0 HA TYR A 51 17.307 1.670 2.368 1.00 0.13 H new ATOM 0 HB2 TYR A 51 17.293 2.837 0.249 1.00 0.18 H new ATOM 0 HB3 TYR A 51 19.043 2.917 0.213 1.00 0.18 H new ATOM 0 HD1 TYR A 51 20.386 0.849 -0.256 1.00 0.20 H new ATOM 0 HD2 TYR A 51 16.124 0.770 -0.358 1.00 0.41 H new ATOM 0 HE1 TYR A 51 20.457 -1.303 -1.429 1.00 0.20 H new ATOM 0 HE2 TYR A 51 16.202 -1.384 -1.536 1.00 0.45 H new ATOM 0 HH TYR A 51 17.455 -2.978 -2.390 1.00 0.33 H new ATOM 832 N CYS A 52 20.616 1.728 2.210 1.00 0.12 N ATOM 833 CA CYS A 52 21.830 0.936 2.320 1.00 0.13 C ATOM 834 C CYS A 52 22.033 0.440 3.750 1.00 0.13 C ATOM 835 O CYS A 52 22.333 -0.729 3.988 1.00 0.17 O ATOM 836 CB CYS A 52 23.000 1.816 1.881 1.00 0.16 C ATOM 837 SG CYS A 52 24.594 0.987 1.773 1.00 0.46 S ATOM 0 H CYS A 52 20.783 2.700 1.950 1.00 0.12 H new ATOM 0 HA CYS A 52 21.760 0.054 1.684 1.00 0.13 H new ATOM 0 HB2 CYS A 52 22.765 2.243 0.906 1.00 0.16 H new ATOM 0 HB3 CYS A 52 23.089 2.648 2.580 1.00 0.16 H new ATOM 0 HG CYS A 52 24.979 0.630 2.962 1.00 0.46 H new ATOM 843 N GLN A 53 21.832 1.344 4.690 1.00 0.12 N ATOM 844 CA GLN A 53 22.017 1.063 6.108 1.00 0.14 C ATOM 845 C GLN A 53 21.096 -0.051 6.587 1.00 0.16 C ATOM 846 O GLN A 53 21.562 -1.047 7.139 1.00 0.19 O ATOM 847 CB GLN A 53 21.758 2.351 6.903 1.00 0.17 C ATOM 848 CG GLN A 53 21.733 2.191 8.419 1.00 0.22 C ATOM 849 CD GLN A 53 20.372 1.775 8.950 1.00 0.38 C ATOM 850 OE1 GLN A 53 19.317 2.212 8.282 1.00 0.68 O flip ATOM 851 NE2 GLN A 53 20.273 1.080 9.957 1.00 0.38 N flip ATOM 0 H GLN A 53 21.534 2.300 4.494 1.00 0.12 H new ATOM 0 HA GLN A 53 23.040 0.722 6.268 1.00 0.14 H new ATOM 0 HB2 GLN A 53 22.528 3.078 6.644 1.00 0.17 H new ATOM 0 HB3 GLN A 53 20.804 2.769 6.583 1.00 0.17 H new ATOM 0 HG2 GLN A 53 22.474 1.447 8.713 1.00 0.22 H new ATOM 0 HG3 GLN A 53 22.025 3.133 8.883 1.00 0.22 H new ATOM 0 HE21 GLN A 53 21.112 0.764 10.443 1.00 0.38 H new ATOM 0 HE22 GLN A 53 19.352 0.819 10.308 1.00 0.38 H new ATOM 860 N ARG A 54 19.794 0.090 6.353 1.00 0.17 N ATOM 861 CA ARG A 54 18.846 -0.863 6.923 1.00 0.21 C ATOM 862 C ARG A 54 18.905 -2.181 6.165 1.00 0.23 C ATOM 863 O ARG A 54 18.530 -3.230 6.684 1.00 0.30 O ATOM 864 CB ARG A 54 17.421 -0.302 6.911 1.00 0.22 C ATOM 865 CG ARG A 54 16.729 -0.412 5.571 1.00 0.25 C ATOM 866 CD ARG A 54 15.483 -1.290 5.657 1.00 0.53 C ATOM 867 NE ARG A 54 15.767 -2.610 6.232 1.00 0.93 N ATOM 868 CZ ARG A 54 14.863 -3.581 6.392 1.00 1.03 C ATOM 869 NH1 ARG A 54 13.607 -3.412 6.002 1.00 1.20 N ATOM 870 NH2 ARG A 54 15.215 -4.731 6.953 1.00 1.49 N ATOM 0 H ARG A 54 19.380 0.832 5.789 1.00 0.17 H new ATOM 0 HA ARG A 54 19.127 -1.040 7.961 1.00 0.21 H new ATOM 0 HB2 ARG A 54 16.828 -0.828 7.659 1.00 0.22 H new ATOM 0 HB3 ARG A 54 17.452 0.746 7.208 1.00 0.22 H new ATOM 0 HG2 ARG A 54 16.452 0.582 5.220 1.00 0.25 H new ATOM 0 HG3 ARG A 54 17.419 -0.828 4.837 1.00 0.25 H new ATOM 0 HD2 ARG A 54 14.729 -0.787 6.263 1.00 0.53 H new ATOM 0 HD3 ARG A 54 15.060 -1.414 4.660 1.00 0.53 H new ATOM 0 HE ARG A 54 16.723 -2.800 6.531 1.00 0.93 H new ATOM 0 HH11 ARG A 54 13.320 -2.532 5.574 1.00 1.20 H new ATOM 0 HH12 ARG A 54 12.928 -4.162 6.130 1.00 1.20 H new ATOM 0 HH21 ARG A 54 16.176 -4.874 7.263 1.00 1.49 H new ATOM 0 HH22 ARG A 54 14.524 -5.472 7.075 1.00 1.49 H new ATOM 884 N GLN A 55 19.355 -2.104 4.926 1.00 0.21 N ATOM 885 CA GLN A 55 19.463 -3.274 4.066 1.00 0.25 C ATOM 886 C GLN A 55 20.705 -4.104 4.394 1.00 0.24 C ATOM 887 O GLN A 55 20.864 -5.221 3.904 1.00 0.34 O ATOM 888 CB GLN A 55 19.499 -2.820 2.605 1.00 0.32 C ATOM 889 CG GLN A 55 18.686 -3.691 1.672 1.00 0.49 C ATOM 890 CD GLN A 55 17.369 -4.088 2.290 1.00 1.07 C ATOM 891 OE1 GLN A 55 16.376 -3.240 2.126 1.00 1.93 O flip ATOM 892 NE2 GLN A 55 17.247 -5.135 2.926 1.00 1.10 N flip ATOM 0 H GLN A 55 19.655 -1.234 4.487 1.00 0.21 H new ATOM 0 HA GLN A 55 18.594 -3.910 4.237 1.00 0.25 H new ATOM 0 HB2 GLN A 55 19.130 -1.796 2.544 1.00 0.32 H new ATOM 0 HB3 GLN A 55 20.534 -2.807 2.264 1.00 0.32 H new ATOM 0 HG2 GLN A 55 18.505 -3.156 0.740 1.00 0.49 H new ATOM 0 HG3 GLN A 55 19.255 -4.586 1.421 1.00 0.49 H new ATOM 0 HE21 GLN A 55 18.043 -5.765 3.029 1.00 1.10 H new ATOM 0 HE22 GLN A 55 16.350 -5.373 3.350 1.00 1.10 H new ATOM 901 N GLY A 56 21.577 -3.557 5.235 1.00 0.21 N ATOM 902 CA GLY A 56 22.796 -4.255 5.597 1.00 0.23 C ATOM 903 C GLY A 56 23.852 -4.148 4.516 1.00 0.20 C ATOM 904 O GLY A 56 24.537 -5.122 4.204 1.00 0.24 O ATOM 0 H GLY A 56 21.461 -2.643 5.672 1.00 0.21 H new ATOM 0 HA2 GLY A 56 23.187 -3.844 6.528 1.00 0.23 H new ATOM 0 HA3 GLY A 56 22.571 -5.305 5.782 1.00 0.23 H new ATOM 908 N VAL A 57 23.973 -2.958 3.947 1.00 0.17 N ATOM 909 CA VAL A 57 24.903 -2.700 2.858 1.00 0.16 C ATOM 910 C VAL A 57 25.901 -1.631 3.294 1.00 0.14 C ATOM 911 O VAL A 57 25.530 -0.708 4.024 1.00 0.14 O ATOM 912 CB VAL A 57 24.142 -2.174 1.610 1.00 0.16 C ATOM 913 CG1 VAL A 57 24.915 -2.405 0.324 1.00 0.18 C ATOM 914 CG2 VAL A 57 22.755 -2.780 1.510 1.00 0.16 C ATOM 0 H VAL A 57 23.428 -2.143 4.228 1.00 0.17 H new ATOM 0 HA VAL A 57 25.415 -3.629 2.609 1.00 0.16 H new ATOM 0 HB VAL A 57 24.040 -1.097 1.743 1.00 0.16 H new ATOM 0 HG11 VAL A 57 24.342 -2.020 -0.519 1.00 0.18 H new ATOM 0 HG12 VAL A 57 25.873 -1.888 0.377 1.00 0.18 H new ATOM 0 HG13 VAL A 57 25.086 -3.473 0.189 1.00 0.18 H new ATOM 0 HG21 VAL A 57 22.251 -2.390 0.626 1.00 0.16 H new ATOM 0 HG22 VAL A 57 22.836 -3.864 1.433 1.00 0.16 H new ATOM 0 HG23 VAL A 57 22.180 -2.521 2.399 1.00 0.16 H new ATOM 924 N PRO A 58 27.174 -1.732 2.883 1.00 0.15 N ATOM 925 CA PRO A 58 28.143 -0.659 3.087 1.00 0.15 C ATOM 926 C PRO A 58 27.989 0.410 2.012 1.00 0.15 C ATOM 927 O PRO A 58 27.823 0.098 0.829 1.00 0.15 O ATOM 928 CB PRO A 58 29.479 -1.380 2.953 1.00 0.18 C ATOM 929 CG PRO A 58 29.206 -2.442 1.952 1.00 0.19 C ATOM 930 CD PRO A 58 27.787 -2.899 2.212 1.00 0.17 C ATOM 0 HA PRO A 58 28.029 -0.142 4.040 1.00 0.15 H new ATOM 0 HB2 PRO A 58 30.266 -0.705 2.617 1.00 0.18 H new ATOM 0 HB3 PRO A 58 29.804 -1.800 3.905 1.00 0.18 H new ATOM 0 HG2 PRO A 58 29.314 -2.060 0.937 1.00 0.19 H new ATOM 0 HG3 PRO A 58 29.909 -3.269 2.057 1.00 0.19 H new ATOM 0 HD2 PRO A 58 27.269 -3.150 1.286 1.00 0.17 H new ATOM 0 HD3 PRO A 58 27.759 -3.787 2.843 1.00 0.17 H new ATOM 938 N MET A 59 28.051 1.668 2.426 1.00 0.16 N ATOM 939 CA MET A 59 27.742 2.787 1.541 1.00 0.18 C ATOM 940 C MET A 59 28.698 2.858 0.344 1.00 0.20 C ATOM 941 O MET A 59 28.380 3.454 -0.681 1.00 0.25 O ATOM 942 CB MET A 59 27.757 4.106 2.321 1.00 0.19 C ATOM 943 CG MET A 59 26.469 4.897 2.150 1.00 0.19 C ATOM 944 SD MET A 59 26.116 5.234 0.421 1.00 0.22 S ATOM 945 CE MET A 59 24.416 4.725 0.376 1.00 0.16 C ATOM 0 H MET A 59 28.313 1.942 3.373 1.00 0.16 H new ATOM 0 HA MET A 59 26.741 2.621 1.144 1.00 0.18 H new ATOM 0 HB2 MET A 59 27.914 3.897 3.379 1.00 0.19 H new ATOM 0 HB3 MET A 59 28.599 4.712 1.988 1.00 0.19 H new ATOM 0 HG2 MET A 59 25.640 4.341 2.588 1.00 0.19 H new ATOM 0 HG3 MET A 59 26.545 5.838 2.695 1.00 0.19 H new ATOM 0 HE1 MET A 59 23.971 5.025 -0.573 1.00 0.16 H new ATOM 0 HE2 MET A 59 24.358 3.641 0.477 1.00 0.16 H new ATOM 0 HE3 MET A 59 23.873 5.196 1.196 1.00 0.16 H new ATOM 955 N ASN A 60 29.861 2.235 0.470 1.00 0.22 N ATOM 956 CA ASN A 60 30.848 2.247 -0.610 1.00 0.27 C ATOM 957 C ASN A 60 30.574 1.145 -1.627 1.00 0.23 C ATOM 958 O ASN A 60 31.313 0.983 -2.596 1.00 0.27 O ATOM 959 CB ASN A 60 32.264 2.087 -0.052 1.00 0.35 C ATOM 960 CG ASN A 60 32.505 0.732 0.566 1.00 0.61 C ATOM 961 OD1 ASN A 60 32.117 0.479 1.706 1.00 1.10 O ATOM 962 ND2 ASN A 60 33.174 -0.135 -0.162 1.00 0.71 N ATOM 0 H ASN A 60 30.147 1.717 1.301 1.00 0.22 H new ATOM 0 HA ASN A 60 30.766 3.211 -1.112 1.00 0.27 H new ATOM 0 HB2 ASN A 60 32.985 2.248 -0.854 1.00 0.35 H new ATOM 0 HB3 ASN A 60 32.443 2.859 0.697 1.00 0.35 H new ATOM 0 HD21 ASN A 60 33.390 -1.058 0.214 1.00 0.71 H new ATOM 0 HD22 ASN A 60 33.477 0.116 -1.103 1.00 0.71 H new ATOM 969 N SER A 61 29.534 0.370 -1.388 1.00 0.19 N ATOM 970 CA SER A 61 29.174 -0.704 -2.292 1.00 0.19 C ATOM 971 C SER A 61 27.955 -0.342 -3.144 1.00 0.15 C ATOM 972 O SER A 61 27.687 -0.998 -4.147 1.00 0.16 O ATOM 973 CB SER A 61 28.907 -1.990 -1.502 1.00 0.23 C ATOM 974 OG SER A 61 28.804 -3.115 -2.361 1.00 0.57 O ATOM 0 H SER A 61 28.924 0.464 -0.576 1.00 0.19 H new ATOM 0 HA SER A 61 30.013 -0.865 -2.969 1.00 0.19 H new ATOM 0 HB2 SER A 61 29.711 -2.151 -0.784 1.00 0.23 H new ATOM 0 HB3 SER A 61 27.986 -1.882 -0.930 1.00 0.23 H new ATOM 0 HG SER A 61 29.701 -3.439 -2.585 1.00 0.57 H new ATOM 980 N LEU A 62 27.232 0.709 -2.780 1.00 0.15 N ATOM 981 CA LEU A 62 26.014 1.047 -3.505 1.00 0.15 C ATOM 982 C LEU A 62 25.936 2.530 -3.837 1.00 0.17 C ATOM 983 O LEU A 62 26.223 3.394 -3.006 1.00 0.23 O ATOM 984 CB LEU A 62 24.784 0.639 -2.700 1.00 0.17 C ATOM 985 CG LEU A 62 23.800 -0.283 -3.421 1.00 0.16 C ATOM 986 CD1 LEU A 62 24.510 -1.468 -4.052 1.00 0.18 C ATOM 987 CD2 LEU A 62 22.730 -0.765 -2.455 1.00 0.20 C ATOM 0 H LEU A 62 27.460 1.331 -2.004 1.00 0.15 H new ATOM 0 HA LEU A 62 26.039 0.494 -4.444 1.00 0.15 H new ATOM 0 HB2 LEU A 62 25.117 0.144 -1.788 1.00 0.17 H new ATOM 0 HB3 LEU A 62 24.254 1.542 -2.398 1.00 0.17 H new ATOM 0 HG LEU A 62 23.329 0.289 -4.221 1.00 0.16 H new ATOM 0 HD11 LEU A 62 23.781 -2.103 -4.556 1.00 0.18 H new ATOM 0 HD12 LEU A 62 25.242 -1.110 -4.776 1.00 0.18 H new ATOM 0 HD13 LEU A 62 25.017 -2.043 -3.277 1.00 0.18 H new ATOM 0 HD21 LEU A 62 22.035 -1.421 -2.980 1.00 0.20 H new ATOM 0 HD22 LEU A 62 23.198 -1.312 -1.637 1.00 0.20 H new ATOM 0 HD23 LEU A 62 22.188 0.092 -2.055 1.00 0.20 H new ATOM 999 N ARG A 63 25.541 2.804 -5.065 1.00 0.14 N ATOM 1000 CA ARG A 63 25.351 4.169 -5.535 1.00 0.15 C ATOM 1001 C ARG A 63 23.894 4.396 -5.912 1.00 0.14 C ATOM 1002 O ARG A 63 23.237 3.509 -6.459 1.00 0.16 O ATOM 1003 CB ARG A 63 26.261 4.484 -6.733 1.00 0.19 C ATOM 1004 CG ARG A 63 25.995 3.645 -7.975 1.00 0.25 C ATOM 1005 CD ARG A 63 27.270 3.047 -8.558 1.00 0.28 C ATOM 1006 NE ARG A 63 28.362 4.013 -8.656 1.00 0.89 N ATOM 1007 CZ ARG A 63 29.215 4.091 -9.677 1.00 1.03 C ATOM 1008 NH1 ARG A 63 29.060 3.313 -10.741 1.00 1.24 N ATOM 1009 NH2 ARG A 63 30.222 4.952 -9.626 1.00 1.70 N ATOM 0 H ARG A 63 25.342 2.091 -5.766 1.00 0.14 H new ATOM 0 HA ARG A 63 25.622 4.842 -4.722 1.00 0.15 H new ATOM 0 HB2 ARG A 63 26.146 5.537 -6.991 1.00 0.19 H new ATOM 0 HB3 ARG A 63 27.298 4.341 -6.431 1.00 0.19 H new ATOM 0 HG2 ARG A 63 25.302 2.842 -7.726 1.00 0.25 H new ATOM 0 HG3 ARG A 63 25.509 4.263 -8.730 1.00 0.25 H new ATOM 0 HD2 ARG A 63 27.588 2.209 -7.938 1.00 0.28 H new ATOM 0 HD3 ARG A 63 27.057 2.647 -9.549 1.00 0.28 H new ATOM 0 HE ARG A 63 28.480 4.675 -7.889 1.00 0.89 H new ATOM 0 HH11 ARG A 63 28.285 2.651 -10.780 1.00 1.24 H new ATOM 0 HH12 ARG A 63 29.716 3.377 -11.520 1.00 1.24 H new ATOM 0 HH21 ARG A 63 30.341 5.550 -8.808 1.00 1.70 H new ATOM 0 HH22 ARG A 63 30.878 5.016 -10.404 1.00 1.70 H new ATOM 1023 N PHE A 64 23.393 5.579 -5.595 1.00 0.12 N ATOM 1024 CA PHE A 64 22.027 5.949 -5.926 1.00 0.11 C ATOM 1025 C PHE A 64 22.056 7.002 -7.014 1.00 0.11 C ATOM 1026 O PHE A 64 22.837 7.950 -6.941 1.00 0.11 O ATOM 1027 CB PHE A 64 21.301 6.468 -4.680 1.00 0.11 C ATOM 1028 CG PHE A 64 21.109 5.422 -3.613 1.00 0.11 C ATOM 1029 CD1 PHE A 64 22.195 4.800 -3.019 1.00 0.14 C ATOM 1030 CD2 PHE A 64 19.839 5.059 -3.209 1.00 0.10 C ATOM 1031 CE1 PHE A 64 22.019 3.838 -2.045 1.00 0.15 C ATOM 1032 CE2 PHE A 64 19.654 4.098 -2.233 1.00 0.11 C ATOM 1033 CZ PHE A 64 20.745 3.485 -1.653 1.00 0.12 C ATOM 0 H PHE A 64 23.917 6.304 -5.105 1.00 0.12 H new ATOM 0 HA PHE A 64 21.483 5.076 -6.287 1.00 0.11 H new ATOM 0 HB2 PHE A 64 21.865 7.302 -4.262 1.00 0.11 H new ATOM 0 HB3 PHE A 64 20.327 6.858 -4.974 1.00 0.11 H new ATOM 0 HD1 PHE A 64 23.195 5.072 -3.323 1.00 0.14 H new ATOM 0 HD2 PHE A 64 18.980 5.532 -3.661 1.00 0.10 H new ATOM 0 HE1 PHE A 64 22.876 3.363 -1.591 1.00 0.15 H new ATOM 0 HE2 PHE A 64 18.655 3.827 -1.924 1.00 0.11 H new ATOM 0 HZ PHE A 64 20.602 2.730 -0.894 1.00 0.12 H new ATOM 1043 N LEU A 65 21.258 6.803 -8.048 1.00 0.11 N ATOM 1044 CA LEU A 65 21.306 7.681 -9.203 1.00 0.12 C ATOM 1045 C LEU A 65 19.924 8.134 -9.633 1.00 0.14 C ATOM 1046 O LEU A 65 18.951 7.411 -9.502 1.00 0.15 O ATOM 1047 CB LEU A 65 22.008 6.989 -10.377 1.00 0.13 C ATOM 1048 CG LEU A 65 23.415 6.479 -10.076 1.00 0.14 C ATOM 1049 CD1 LEU A 65 23.351 5.158 -9.354 1.00 0.12 C ATOM 1050 CD2 LEU A 65 24.237 6.366 -11.346 1.00 0.21 C ATOM 0 H LEU A 65 20.575 6.048 -8.112 1.00 0.11 H new ATOM 0 HA LEU A 65 21.873 8.564 -8.907 1.00 0.12 H new ATOM 0 HB2 LEU A 65 21.395 6.149 -10.703 1.00 0.13 H new ATOM 0 HB3 LEU A 65 22.062 7.688 -11.212 1.00 0.13 H new ATOM 0 HG LEU A 65 23.909 7.201 -9.426 1.00 0.14 H new ATOM 0 HD11 LEU A 65 24.362 4.807 -9.146 1.00 0.12 H new ATOM 0 HD12 LEU A 65 22.810 5.282 -8.416 1.00 0.12 H new ATOM 0 HD13 LEU A 65 22.834 4.428 -9.977 1.00 0.12 H new ATOM 0 HD21 LEU A 65 25.235 6.001 -11.102 1.00 0.21 H new ATOM 0 HD22 LEU A 65 23.753 5.671 -12.032 1.00 0.21 H new ATOM 0 HD23 LEU A 65 24.315 7.346 -11.818 1.00 0.21 H new ATOM 1062 N PHE A 66 19.876 9.319 -10.200 1.00 0.16 N ATOM 1063 CA PHE A 66 18.654 9.863 -10.768 1.00 0.23 C ATOM 1064 C PHE A 66 18.675 9.636 -12.276 1.00 0.28 C ATOM 1065 O PHE A 66 19.298 10.387 -13.028 1.00 0.31 O ATOM 1066 CB PHE A 66 18.537 11.353 -10.405 1.00 0.28 C ATOM 1067 CG PHE A 66 17.723 12.193 -11.357 1.00 0.80 C ATOM 1068 CD1 PHE A 66 16.402 11.864 -11.614 1.00 0.91 C ATOM 1069 CD2 PHE A 66 18.272 13.298 -11.992 1.00 1.33 C ATOM 1070 CE1 PHE A 66 15.643 12.618 -12.487 1.00 1.52 C ATOM 1071 CE2 PHE A 66 17.515 14.053 -12.864 1.00 1.95 C ATOM 1072 CZ PHE A 66 16.250 13.764 -13.108 1.00 2.03 C ATOM 0 H PHE A 66 20.683 9.937 -10.282 1.00 0.16 H new ATOM 0 HA PHE A 66 17.777 9.361 -10.360 1.00 0.23 H new ATOM 0 HB2 PHE A 66 18.097 11.433 -9.411 1.00 0.28 H new ATOM 0 HB3 PHE A 66 19.541 11.774 -10.344 1.00 0.28 H new ATOM 0 HD1 PHE A 66 15.961 11.008 -11.126 1.00 0.91 H new ATOM 0 HD2 PHE A 66 19.300 13.569 -11.802 1.00 1.33 H new ATOM 0 HE1 PHE A 66 14.618 12.353 -12.698 1.00 1.52 H new ATOM 0 HE2 PHE A 66 17.968 14.900 -13.358 1.00 1.95 H new ATOM 0 HZ PHE A 66 15.672 14.388 -13.773 1.00 2.03 H new ATOM 1082 N GLU A 67 18.034 8.544 -12.684 1.00 0.37 N ATOM 1083 CA GLU A 67 18.026 8.091 -14.072 1.00 0.46 C ATOM 1084 C GLU A 67 19.439 8.034 -14.645 1.00 0.40 C ATOM 1085 O GLU A 67 19.690 8.490 -15.761 1.00 0.46 O ATOM 1086 CB GLU A 67 17.140 8.983 -14.938 1.00 0.57 C ATOM 1087 CG GLU A 67 15.690 9.020 -14.497 1.00 1.22 C ATOM 1088 CD GLU A 67 14.778 9.571 -15.573 1.00 1.29 C ATOM 1089 OE1 GLU A 67 15.006 10.711 -16.031 1.00 1.63 O ATOM 1090 OE2 GLU A 67 13.833 8.863 -15.972 1.00 1.83 O ATOM 0 H GLU A 67 17.501 7.943 -12.055 1.00 0.37 H new ATOM 0 HA GLU A 67 17.613 7.082 -14.081 1.00 0.46 H new ATOM 0 HB2 GLU A 67 17.539 9.997 -14.926 1.00 0.57 H new ATOM 0 HB3 GLU A 67 17.187 8.634 -15.970 1.00 0.57 H new ATOM 0 HG2 GLU A 67 15.367 8.014 -14.230 1.00 1.22 H new ATOM 0 HG3 GLU A 67 15.601 9.632 -13.599 1.00 1.22 H new ATOM 1097 N GLY A 68 20.358 7.476 -13.871 1.00 0.36 N ATOM 1098 CA GLY A 68 21.730 7.356 -14.317 1.00 0.36 C ATOM 1099 C GLY A 68 22.615 8.482 -13.821 1.00 0.30 C ATOM 1100 O GLY A 68 23.792 8.542 -14.160 1.00 0.35 O ATOM 0 H GLY A 68 20.177 7.103 -12.939 1.00 0.36 H new ATOM 0 HA2 GLY A 68 22.136 6.404 -13.974 1.00 0.36 H new ATOM 0 HA3 GLY A 68 21.752 7.337 -15.407 1.00 0.36 H new ATOM 1104 N GLN A 69 22.059 9.371 -13.008 1.00 0.24 N ATOM 1105 CA GLN A 69 22.841 10.480 -12.475 1.00 0.23 C ATOM 1106 C GLN A 69 23.384 10.123 -11.110 1.00 0.19 C ATOM 1107 O GLN A 69 22.626 9.987 -10.154 1.00 0.18 O ATOM 1108 CB GLN A 69 22.011 11.763 -12.382 1.00 0.25 C ATOM 1109 CG GLN A 69 22.841 13.006 -12.059 1.00 0.26 C ATOM 1110 CD GLN A 69 23.165 13.225 -10.583 1.00 0.35 C ATOM 1111 OE1 GLN A 69 22.301 12.794 -9.672 1.00 0.83 O flip ATOM 1112 NE2 GLN A 69 24.208 13.793 -10.261 1.00 0.31 N flip ATOM 0 H GLN A 69 21.085 9.348 -12.707 1.00 0.24 H new ATOM 0 HA GLN A 69 23.667 10.662 -13.162 1.00 0.23 H new ATOM 0 HB2 GLN A 69 21.491 11.919 -13.327 1.00 0.25 H new ATOM 0 HB3 GLN A 69 21.247 11.637 -11.615 1.00 0.25 H new ATOM 0 HG2 GLN A 69 23.778 12.947 -12.612 1.00 0.26 H new ATOM 0 HG3 GLN A 69 22.307 13.882 -12.428 1.00 0.26 H new ATOM 0 HE21 GLN A 69 24.856 14.115 -10.980 1.00 0.31 H new ATOM 0 HE22 GLN A 69 24.424 13.942 -9.275 1.00 0.31 H new ATOM 1121 N ARG A 70 24.696 9.984 -11.028 1.00 0.21 N ATOM 1122 CA ARG A 70 25.357 9.653 -9.779 1.00 0.20 C ATOM 1123 C ARG A 70 25.047 10.705 -8.717 1.00 0.18 C ATOM 1124 O ARG A 70 25.532 11.832 -8.793 1.00 0.21 O ATOM 1125 CB ARG A 70 26.864 9.574 -10.005 1.00 0.26 C ATOM 1126 CG ARG A 70 27.507 8.328 -9.417 1.00 0.83 C ATOM 1127 CD ARG A 70 27.238 8.214 -7.929 1.00 0.50 C ATOM 1128 NE ARG A 70 27.929 9.249 -7.158 1.00 0.89 N ATOM 1129 CZ ARG A 70 28.694 9.011 -6.087 1.00 1.15 C ATOM 1130 NH1 ARG A 70 28.972 7.768 -5.715 1.00 1.52 N ATOM 1131 NH2 ARG A 70 29.224 10.026 -5.415 1.00 1.64 N ATOM 0 H ARG A 70 25.329 10.097 -11.820 1.00 0.21 H new ATOM 0 HA ARG A 70 24.990 8.688 -9.430 1.00 0.20 H new ATOM 0 HB2 ARG A 70 27.064 9.604 -11.076 1.00 0.26 H new ATOM 0 HB3 ARG A 70 27.334 10.455 -9.568 1.00 0.26 H new ATOM 0 HG2 ARG A 70 27.123 7.444 -9.926 1.00 0.83 H new ATOM 0 HG3 ARG A 70 28.582 8.355 -9.593 1.00 0.83 H new ATOM 0 HD2 ARG A 70 26.165 8.286 -7.750 1.00 0.50 H new ATOM 0 HD3 ARG A 70 27.555 7.231 -7.579 1.00 0.50 H new ATOM 0 HE ARG A 70 27.820 10.218 -7.458 1.00 0.89 H new ATOM 0 HH11 ARG A 70 28.601 6.981 -6.248 1.00 1.52 H new ATOM 0 HH12 ARG A 70 29.557 7.599 -4.896 1.00 1.52 H new ATOM 0 HH21 ARG A 70 29.047 10.984 -5.716 1.00 1.64 H new ATOM 0 HH22 ARG A 70 29.808 9.847 -4.598 1.00 1.64 H new ATOM 1145 N ILE A 71 24.248 10.334 -7.728 1.00 0.16 N ATOM 1146 CA ILE A 71 23.874 11.268 -6.675 1.00 0.14 C ATOM 1147 C ILE A 71 25.059 11.527 -5.762 1.00 0.16 C ATOM 1148 O ILE A 71 25.687 10.587 -5.261 1.00 0.17 O ATOM 1149 CB ILE A 71 22.685 10.741 -5.835 1.00 0.12 C ATOM 1150 CG1 ILE A 71 21.383 10.850 -6.619 1.00 0.13 C ATOM 1151 CG2 ILE A 71 22.563 11.503 -4.522 1.00 0.11 C ATOM 1152 CD1 ILE A 71 20.275 10.004 -6.044 1.00 0.15 C ATOM 0 H ILE A 71 23.848 9.401 -7.632 1.00 0.16 H new ATOM 0 HA ILE A 71 23.566 12.196 -7.157 1.00 0.14 H new ATOM 0 HB ILE A 71 22.877 9.692 -5.611 1.00 0.12 H new ATOM 0 HG12 ILE A 71 21.064 11.892 -6.639 1.00 0.13 H new ATOM 0 HG13 ILE A 71 21.562 10.552 -7.652 1.00 0.13 H new ATOM 0 HG21 ILE A 71 21.720 11.113 -3.952 1.00 0.11 H new ATOM 0 HG22 ILE A 71 23.479 11.382 -3.944 1.00 0.11 H new ATOM 0 HG23 ILE A 71 22.402 12.561 -4.729 1.00 0.11 H new ATOM 0 HD11 ILE A 71 19.375 10.125 -6.646 1.00 0.15 H new ATOM 0 HD12 ILE A 71 20.577 8.957 -6.049 1.00 0.15 H new ATOM 0 HD13 ILE A 71 20.071 10.318 -5.020 1.00 0.15 H new ATOM 1164 N ALA A 72 25.362 12.795 -5.544 1.00 0.19 N ATOM 1165 CA ALA A 72 26.423 13.159 -4.637 1.00 0.21 C ATOM 1166 C ALA A 72 25.856 13.254 -3.235 1.00 0.21 C ATOM 1167 O ALA A 72 24.700 13.640 -3.060 1.00 0.23 O ATOM 1168 CB ALA A 72 27.062 14.473 -5.054 1.00 0.23 C ATOM 0 H ALA A 72 24.887 13.583 -5.984 1.00 0.19 H new ATOM 0 HA ALA A 72 27.201 12.396 -4.662 1.00 0.21 H new ATOM 0 HB1 ALA A 72 27.859 14.728 -4.356 1.00 0.23 H new ATOM 0 HB2 ALA A 72 27.476 14.374 -6.057 1.00 0.23 H new ATOM 0 HB3 ALA A 72 26.309 15.261 -5.048 1.00 0.23 H new ATOM 1174 N ASP A 73 26.655 12.905 -2.253 1.00 0.28 N ATOM 1175 CA ASP A 73 26.209 12.838 -0.876 1.00 0.32 C ATOM 1176 C ASP A 73 25.605 14.163 -0.404 1.00 0.27 C ATOM 1177 O ASP A 73 24.584 14.183 0.285 1.00 0.32 O ATOM 1178 CB ASP A 73 27.390 12.443 0.012 1.00 0.46 C ATOM 1179 CG ASP A 73 28.083 11.177 -0.470 1.00 1.53 C ATOM 1180 OD1 ASP A 73 27.424 10.364 -1.149 1.00 2.03 O ATOM 1181 OD2 ASP A 73 29.294 10.994 -0.173 1.00 2.13 O ATOM 0 H ASP A 73 27.636 12.658 -2.385 1.00 0.28 H new ATOM 0 HA ASP A 73 25.422 12.087 -0.805 1.00 0.32 H new ATOM 0 HB2 ASP A 73 28.111 13.260 0.038 1.00 0.46 H new ATOM 0 HB3 ASP A 73 27.039 12.295 1.033 1.00 0.46 H new ATOM 1186 N ASN A 74 26.193 15.272 -0.829 1.00 0.27 N ATOM 1187 CA ASN A 74 25.727 16.586 -0.388 1.00 0.28 C ATOM 1188 C ASN A 74 24.723 17.189 -1.368 1.00 0.21 C ATOM 1189 O ASN A 74 24.379 18.364 -1.267 1.00 0.24 O ATOM 1190 CB ASN A 74 26.903 17.556 -0.200 1.00 0.37 C ATOM 1191 CG ASN A 74 27.483 18.094 -1.505 1.00 0.55 C ATOM 1192 OD1 ASN A 74 27.564 17.264 -2.533 1.00 0.90 O flip ATOM 1193 ND2 ASN A 74 27.890 19.253 -1.575 1.00 0.44 N flip ATOM 0 H ASN A 74 26.985 15.293 -1.471 1.00 0.27 H new ATOM 0 HA ASN A 74 25.229 16.437 0.570 1.00 0.28 H new ATOM 0 HB2 ASN A 74 26.573 18.396 0.412 1.00 0.37 H new ATOM 0 HB3 ASN A 74 27.693 17.049 0.354 1.00 0.37 H new ATOM 0 HD21 ASN A 74 27.814 19.870 -0.766 1.00 0.44 H new ATOM 0 HD22 ASN A 74 28.303 19.597 -2.442 1.00 0.44 H new ATOM 1200 N HIS A 75 24.253 16.384 -2.309 1.00 0.15 N ATOM 1201 CA HIS A 75 23.324 16.860 -3.325 1.00 0.12 C ATOM 1202 C HIS A 75 21.890 16.485 -2.975 1.00 0.12 C ATOM 1203 O HIS A 75 21.662 15.481 -2.311 1.00 0.15 O ATOM 1204 CB HIS A 75 23.731 16.336 -4.699 1.00 0.12 C ATOM 1205 CG HIS A 75 24.674 17.264 -5.410 1.00 0.18 C ATOM 1206 ND1 HIS A 75 25.291 16.960 -6.605 1.00 1.12 N ATOM 1207 CD2 HIS A 75 25.098 18.507 -5.079 1.00 1.02 C ATOM 1208 CE1 HIS A 75 26.053 17.975 -6.975 1.00 0.85 C ATOM 1209 NE2 HIS A 75 25.949 18.924 -6.068 1.00 0.58 N ATOM 0 H HIS A 75 24.499 15.398 -2.391 1.00 0.15 H new ATOM 0 HA HIS A 75 23.368 17.949 -3.357 1.00 0.12 H new ATOM 0 HB2 HIS A 75 24.202 15.359 -4.587 1.00 0.12 H new ATOM 0 HB3 HIS A 75 22.839 16.192 -5.309 1.00 0.12 H new ATOM 0 HD2 HIS A 75 24.817 19.066 -4.198 1.00 1.02 H new ATOM 0 HE1 HIS A 75 26.658 18.018 -7.869 1.00 0.85 H new ATOM 0 HE2 HIS A 75 26.426 19.825 -6.097 1.00 0.58 H new ATOM 1218 N THR A 76 20.933 17.304 -3.400 1.00 0.12 N ATOM 1219 CA THR A 76 19.529 17.089 -3.064 1.00 0.12 C ATOM 1220 C THR A 76 18.678 17.077 -4.331 1.00 0.12 C ATOM 1221 O THR A 76 19.153 17.506 -5.385 1.00 0.14 O ATOM 1222 CB THR A 76 19.011 18.199 -2.126 1.00 0.14 C ATOM 1223 OG1 THR A 76 18.721 19.392 -2.865 1.00 0.16 O ATOM 1224 CG2 THR A 76 20.055 18.527 -1.073 1.00 0.14 C ATOM 0 H THR A 76 21.105 18.125 -3.980 1.00 0.12 H new ATOM 0 HA THR A 76 19.452 16.127 -2.557 1.00 0.12 H new ATOM 0 HB THR A 76 18.101 17.834 -1.649 1.00 0.14 H new ATOM 0 HG1 THR A 76 19.201 20.148 -2.467 1.00 0.16 H new ATOM 0 HG21 THR A 76 19.677 19.312 -0.418 1.00 0.14 H new ATOM 0 HG22 THR A 76 20.271 17.635 -0.484 1.00 0.14 H new ATOM 0 HG23 THR A 76 20.968 18.870 -1.560 1.00 0.14 H new ATOM 1232 N PRO A 77 17.420 16.607 -4.267 1.00 0.13 N ATOM 1233 CA PRO A 77 16.528 16.601 -5.426 1.00 0.16 C ATOM 1234 C PRO A 77 16.390 17.982 -6.058 1.00 0.16 C ATOM 1235 O PRO A 77 16.379 18.116 -7.285 1.00 0.18 O ATOM 1236 CB PRO A 77 15.182 16.128 -4.861 1.00 0.18 C ATOM 1237 CG PRO A 77 15.315 16.226 -3.379 1.00 0.26 C ATOM 1238 CD PRO A 77 16.769 16.028 -3.084 1.00 0.14 C ATOM 0 HA PRO A 77 16.909 15.960 -6.221 1.00 0.16 H new ATOM 0 HB2 PRO A 77 14.364 16.750 -5.224 1.00 0.18 H new ATOM 0 HB3 PRO A 77 14.965 15.105 -5.169 1.00 0.18 H new ATOM 0 HG2 PRO A 77 14.972 17.196 -3.019 1.00 0.26 H new ATOM 0 HG3 PRO A 77 14.709 15.469 -2.881 1.00 0.26 H new ATOM 0 HD2 PRO A 77 17.069 16.536 -2.167 1.00 0.14 H new ATOM 0 HD3 PRO A 77 17.017 14.974 -2.960 1.00 0.14 H new ATOM 1246 N LYS A 78 16.325 19.004 -5.211 1.00 0.17 N ATOM 1247 CA LYS A 78 16.202 20.387 -5.659 1.00 0.19 C ATOM 1248 C LYS A 78 17.349 20.731 -6.599 1.00 0.19 C ATOM 1249 O LYS A 78 17.147 21.313 -7.664 1.00 0.22 O ATOM 1250 CB LYS A 78 16.208 21.315 -4.431 1.00 0.22 C ATOM 1251 CG LYS A 78 15.884 22.782 -4.707 1.00 0.59 C ATOM 1252 CD LYS A 78 17.077 23.561 -5.245 1.00 0.48 C ATOM 1253 CE LYS A 78 18.241 23.547 -4.265 1.00 0.51 C ATOM 1254 NZ LYS A 78 19.380 24.376 -4.738 1.00 1.24 N ATOM 0 H LYS A 78 16.356 18.898 -4.197 1.00 0.17 H new ATOM 0 HA LYS A 78 15.266 20.519 -6.201 1.00 0.19 H new ATOM 0 HB2 LYS A 78 15.488 20.933 -3.707 1.00 0.22 H new ATOM 0 HB3 LYS A 78 17.191 21.261 -3.963 1.00 0.22 H new ATOM 0 HG2 LYS A 78 15.065 22.839 -5.425 1.00 0.59 H new ATOM 0 HG3 LYS A 78 15.535 23.251 -3.787 1.00 0.59 H new ATOM 0 HD2 LYS A 78 17.395 23.131 -6.195 1.00 0.48 H new ATOM 0 HD3 LYS A 78 16.780 24.591 -5.444 1.00 0.48 H new ATOM 0 HE2 LYS A 78 17.903 23.915 -3.296 1.00 0.51 H new ATOM 0 HE3 LYS A 78 18.577 22.521 -4.117 1.00 0.51 H new ATOM 0 HZ1 LYS A 78 20.150 24.338 -4.040 1.00 1.24 H new ATOM 0 HZ2 LYS A 78 19.720 24.010 -5.650 1.00 1.24 H new ATOM 0 HZ3 LYS A 78 19.067 25.361 -4.855 1.00 1.24 H new ATOM 1268 N GLU A 79 18.549 20.339 -6.203 1.00 0.16 N ATOM 1269 CA GLU A 79 19.751 20.663 -6.954 1.00 0.17 C ATOM 1270 C GLU A 79 19.828 19.861 -8.247 1.00 0.18 C ATOM 1271 O GLU A 79 20.182 20.392 -9.299 1.00 0.24 O ATOM 1272 CB GLU A 79 20.988 20.375 -6.113 1.00 0.18 C ATOM 1273 CG GLU A 79 20.773 20.591 -4.635 1.00 0.19 C ATOM 1274 CD GLU A 79 22.067 20.798 -3.891 1.00 0.46 C ATOM 1275 OE1 GLU A 79 22.775 19.805 -3.643 1.00 0.65 O ATOM 1276 OE2 GLU A 79 22.375 21.951 -3.545 1.00 0.71 O ATOM 0 H GLU A 79 18.717 19.792 -5.359 1.00 0.16 H new ATOM 0 HA GLU A 79 19.710 21.724 -7.203 1.00 0.17 H new ATOM 0 HB2 GLU A 79 21.300 19.344 -6.280 1.00 0.18 H new ATOM 0 HB3 GLU A 79 21.804 21.013 -6.451 1.00 0.18 H new ATOM 0 HG2 GLU A 79 20.129 21.458 -4.487 1.00 0.19 H new ATOM 0 HG3 GLU A 79 20.250 19.731 -4.217 1.00 0.19 H new ATOM 1283 N LEU A 80 19.486 18.581 -8.154 1.00 0.15 N ATOM 1284 CA LEU A 80 19.661 17.654 -9.268 1.00 0.17 C ATOM 1285 C LEU A 80 18.540 17.801 -10.297 1.00 0.20 C ATOM 1286 O LEU A 80 18.562 17.170 -11.352 1.00 0.28 O ATOM 1287 CB LEU A 80 19.725 16.218 -8.741 1.00 0.16 C ATOM 1288 CG LEU A 80 20.614 16.029 -7.506 1.00 0.13 C ATOM 1289 CD1 LEU A 80 20.737 14.568 -7.132 1.00 0.15 C ATOM 1290 CD2 LEU A 80 21.985 16.635 -7.719 1.00 0.13 C ATOM 0 H LEU A 80 19.085 18.160 -7.316 1.00 0.15 H new ATOM 0 HA LEU A 80 20.599 17.893 -9.770 1.00 0.17 H new ATOM 0 HB2 LEU A 80 18.715 15.889 -8.499 1.00 0.16 H new ATOM 0 HB3 LEU A 80 20.089 15.569 -9.537 1.00 0.16 H new ATOM 0 HG LEU A 80 20.133 16.552 -6.679 1.00 0.13 H new ATOM 0 HD11 LEU A 80 21.374 14.470 -6.253 1.00 0.15 H new ATOM 0 HD12 LEU A 80 19.749 14.164 -6.911 1.00 0.15 H new ATOM 0 HD13 LEU A 80 21.177 14.016 -7.962 1.00 0.15 H new ATOM 0 HD21 LEU A 80 22.592 16.485 -6.826 1.00 0.13 H new ATOM 0 HD22 LEU A 80 22.467 16.154 -8.570 1.00 0.13 H new ATOM 0 HD23 LEU A 80 21.885 17.703 -7.914 1.00 0.13 H new ATOM 1302 N GLY A 81 17.574 18.650 -9.980 1.00 0.21 N ATOM 1303 CA GLY A 81 16.489 18.921 -10.903 1.00 0.25 C ATOM 1304 C GLY A 81 15.398 17.873 -10.858 1.00 0.25 C ATOM 1305 O GLY A 81 14.739 17.607 -11.863 1.00 0.30 O ATOM 0 H GLY A 81 17.521 19.158 -9.097 1.00 0.21 H new ATOM 0 HA2 GLY A 81 16.059 19.896 -10.673 1.00 0.25 H new ATOM 0 HA3 GLY A 81 16.887 18.980 -11.916 1.00 0.25 H new ATOM 1309 N MET A 82 15.204 17.280 -9.692 1.00 0.22 N ATOM 1310 CA MET A 82 14.142 16.306 -9.502 1.00 0.26 C ATOM 1311 C MET A 82 13.035 16.918 -8.658 1.00 0.26 C ATOM 1312 O MET A 82 13.184 18.021 -8.128 1.00 0.31 O ATOM 1313 CB MET A 82 14.658 15.019 -8.841 1.00 0.36 C ATOM 1314 CG MET A 82 16.089 15.099 -8.341 1.00 0.42 C ATOM 1315 SD MET A 82 16.522 13.732 -7.247 1.00 1.25 S ATOM 1316 CE MET A 82 16.066 12.332 -8.265 1.00 1.17 C ATOM 0 H MET A 82 15.769 17.456 -8.861 1.00 0.22 H new ATOM 0 HA MET A 82 13.753 16.036 -10.484 1.00 0.26 H new ATOM 0 HB2 MET A 82 14.007 14.770 -8.003 1.00 0.36 H new ATOM 0 HB3 MET A 82 14.582 14.202 -9.558 1.00 0.36 H new ATOM 0 HG2 MET A 82 16.768 15.105 -9.194 1.00 0.42 H new ATOM 0 HG3 MET A 82 16.233 16.041 -7.812 1.00 0.42 H new ATOM 0 HE1 MET A 82 16.783 11.525 -8.116 1.00 1.17 H new ATOM 0 HE2 MET A 82 15.070 11.988 -7.986 1.00 1.17 H new ATOM 0 HE3 MET A 82 16.066 12.629 -9.314 1.00 1.17 H new ATOM 1326 N GLU A 83 11.939 16.198 -8.526 1.00 0.27 N ATOM 1327 CA GLU A 83 10.779 16.695 -7.804 1.00 0.31 C ATOM 1328 C GLU A 83 10.046 15.550 -7.121 1.00 0.24 C ATOM 1329 O GLU A 83 10.578 14.446 -7.014 1.00 0.25 O ATOM 1330 CB GLU A 83 9.838 17.460 -8.737 1.00 0.43 C ATOM 1331 CG GLU A 83 9.437 16.687 -9.979 1.00 1.32 C ATOM 1332 CD GLU A 83 8.422 17.435 -10.811 1.00 1.54 C ATOM 1333 OE1 GLU A 83 8.818 18.355 -11.555 1.00 1.86 O ATOM 1334 OE2 GLU A 83 7.218 17.121 -10.707 1.00 2.04 O ATOM 0 H GLU A 83 11.825 15.260 -8.911 1.00 0.27 H new ATOM 0 HA GLU A 83 11.127 17.388 -7.038 1.00 0.31 H new ATOM 0 HB2 GLU A 83 8.938 17.733 -8.185 1.00 0.43 H new ATOM 0 HB3 GLU A 83 10.320 18.389 -9.040 1.00 0.43 H new ATOM 0 HG2 GLU A 83 10.322 16.486 -10.582 1.00 1.32 H new ATOM 0 HG3 GLU A 83 9.025 15.721 -9.687 1.00 1.32 H new ATOM 1341 N GLU A 84 8.842 15.821 -6.637 1.00 0.22 N ATOM 1342 CA GLU A 84 8.041 14.805 -5.972 1.00 0.21 C ATOM 1343 C GLU A 84 7.834 13.579 -6.862 1.00 0.20 C ATOM 1344 O GLU A 84 7.480 13.695 -8.037 1.00 0.22 O ATOM 1345 CB GLU A 84 6.683 15.363 -5.545 1.00 0.23 C ATOM 1346 CG GLU A 84 5.873 14.384 -4.704 1.00 0.37 C ATOM 1347 CD GLU A 84 4.485 14.893 -4.373 1.00 0.75 C ATOM 1348 OE1 GLU A 84 3.665 15.044 -5.297 1.00 1.30 O ATOM 1349 OE2 GLU A 84 4.209 15.134 -3.179 1.00 1.20 O ATOM 0 H GLU A 84 8.398 16.738 -6.693 1.00 0.22 H new ATOM 0 HA GLU A 84 8.594 14.499 -5.084 1.00 0.21 H new ATOM 0 HB2 GLU A 84 6.836 16.281 -4.977 1.00 0.23 H new ATOM 0 HB3 GLU A 84 6.111 15.630 -6.433 1.00 0.23 H new ATOM 0 HG2 GLU A 84 5.789 13.438 -5.239 1.00 0.37 H new ATOM 0 HG3 GLU A 84 6.409 14.180 -3.777 1.00 0.37 H new ATOM 1356 N GLU A 85 8.105 12.423 -6.271 1.00 0.23 N ATOM 1357 CA GLU A 85 7.866 11.120 -6.877 1.00 0.25 C ATOM 1358 C GLU A 85 8.872 10.811 -7.978 1.00 0.23 C ATOM 1359 O GLU A 85 8.624 9.968 -8.840 1.00 0.26 O ATOM 1360 CB GLU A 85 6.426 10.992 -7.357 1.00 0.31 C ATOM 1361 CG GLU A 85 5.433 11.167 -6.220 1.00 0.66 C ATOM 1362 CD GLU A 85 4.074 10.579 -6.529 1.00 0.82 C ATOM 1363 OE1 GLU A 85 3.976 9.336 -6.621 1.00 1.39 O ATOM 1364 OE2 GLU A 85 3.102 11.347 -6.654 1.00 1.17 O ATOM 0 H GLU A 85 8.506 12.364 -5.335 1.00 0.23 H new ATOM 0 HA GLU A 85 8.016 10.366 -6.105 1.00 0.25 H new ATOM 0 HB2 GLU A 85 6.232 11.739 -8.127 1.00 0.31 H new ATOM 0 HB3 GLU A 85 6.282 10.015 -7.818 1.00 0.31 H new ATOM 0 HG2 GLU A 85 5.831 10.696 -5.321 1.00 0.66 H new ATOM 0 HG3 GLU A 85 5.322 12.229 -6.001 1.00 0.66 H new ATOM 1371 N ASP A 86 10.006 11.500 -7.948 1.00 0.19 N ATOM 1372 CA ASP A 86 11.047 11.298 -8.946 1.00 0.18 C ATOM 1373 C ASP A 86 11.761 9.972 -8.686 1.00 0.16 C ATOM 1374 O ASP A 86 11.621 9.402 -7.613 1.00 0.19 O ATOM 1375 CB ASP A 86 12.027 12.466 -8.941 1.00 0.21 C ATOM 1376 CG ASP A 86 12.577 12.733 -10.323 1.00 0.45 C ATOM 1377 OD1 ASP A 86 13.200 11.813 -10.896 1.00 0.79 O ATOM 1378 OD2 ASP A 86 12.438 13.867 -10.818 1.00 0.68 O ATOM 0 H ASP A 86 10.228 12.203 -7.243 1.00 0.19 H new ATOM 0 HA ASP A 86 10.592 11.255 -9.935 1.00 0.18 H new ATOM 0 HB2 ASP A 86 11.527 13.360 -8.568 1.00 0.21 H new ATOM 0 HB3 ASP A 86 12.848 12.251 -8.257 1.00 0.21 H new ATOM 1383 N VAL A 87 12.524 9.482 -9.655 1.00 0.16 N ATOM 1384 CA VAL A 87 13.017 8.108 -9.604 1.00 0.15 C ATOM 1385 C VAL A 87 14.540 8.035 -9.444 1.00 0.14 C ATOM 1386 O VAL A 87 15.293 8.753 -10.106 1.00 0.16 O ATOM 1387 CB VAL A 87 12.575 7.310 -10.857 1.00 0.19 C ATOM 1388 CG1 VAL A 87 13.078 7.966 -12.134 1.00 0.25 C ATOM 1389 CG2 VAL A 87 13.038 5.861 -10.772 1.00 0.23 C ATOM 0 H VAL A 87 12.814 10.008 -10.479 1.00 0.16 H new ATOM 0 HA VAL A 87 12.573 7.655 -8.718 1.00 0.15 H new ATOM 0 HB VAL A 87 11.485 7.316 -10.886 1.00 0.19 H new ATOM 0 HG11 VAL A 87 12.752 7.383 -12.995 1.00 0.25 H new ATOM 0 HG12 VAL A 87 12.676 8.977 -12.207 1.00 0.25 H new ATOM 0 HG13 VAL A 87 14.167 8.009 -12.116 1.00 0.25 H new ATOM 0 HG21 VAL A 87 12.715 5.323 -11.663 1.00 0.23 H new ATOM 0 HG22 VAL A 87 14.125 5.830 -10.703 1.00 0.23 H new ATOM 0 HG23 VAL A 87 12.605 5.392 -9.888 1.00 0.23 H new ATOM 1399 N ILE A 88 14.970 7.162 -8.541 1.00 0.12 N ATOM 1400 CA ILE A 88 16.380 6.928 -8.267 1.00 0.12 C ATOM 1401 C ILE A 88 16.696 5.431 -8.323 1.00 0.12 C ATOM 1402 O ILE A 88 16.032 4.622 -7.681 1.00 0.16 O ATOM 1403 CB ILE A 88 16.771 7.508 -6.890 1.00 0.13 C ATOM 1404 CG1 ILE A 88 16.822 9.033 -6.969 1.00 0.16 C ATOM 1405 CG2 ILE A 88 18.106 6.954 -6.414 1.00 0.14 C ATOM 1406 CD1 ILE A 88 16.905 9.713 -5.621 1.00 0.20 C ATOM 0 H ILE A 88 14.343 6.592 -7.974 1.00 0.12 H new ATOM 0 HA ILE A 88 16.966 7.436 -9.034 1.00 0.12 H new ATOM 0 HB ILE A 88 16.014 7.210 -6.164 1.00 0.13 H new ATOM 0 HG12 ILE A 88 17.684 9.328 -7.567 1.00 0.16 H new ATOM 0 HG13 ILE A 88 15.934 9.390 -7.491 1.00 0.16 H new ATOM 0 HG21 ILE A 88 18.352 7.382 -5.442 1.00 0.14 H new ATOM 0 HG22 ILE A 88 18.039 5.870 -6.326 1.00 0.14 H new ATOM 0 HG23 ILE A 88 18.884 7.213 -7.132 1.00 0.14 H new ATOM 0 HD11 ILE A 88 16.938 10.794 -5.760 1.00 0.20 H new ATOM 0 HD12 ILE A 88 16.030 9.450 -5.026 1.00 0.20 H new ATOM 0 HD13 ILE A 88 17.807 9.386 -5.104 1.00 0.20 H new ATOM 1418 N GLU A 89 17.715 5.070 -9.089 1.00 0.11 N ATOM 1419 CA GLU A 89 18.068 3.680 -9.295 1.00 0.11 C ATOM 1420 C GLU A 89 19.359 3.363 -8.558 1.00 0.11 C ATOM 1421 O GLU A 89 20.229 4.224 -8.422 1.00 0.13 O ATOM 1422 CB GLU A 89 18.236 3.411 -10.789 1.00 0.16 C ATOM 1423 CG GLU A 89 17.021 3.807 -11.610 1.00 0.26 C ATOM 1424 CD GLU A 89 17.250 3.674 -13.099 1.00 0.74 C ATOM 1425 OE1 GLU A 89 18.016 4.484 -13.658 1.00 0.94 O ATOM 1426 OE2 GLU A 89 16.679 2.750 -13.716 1.00 1.35 O ATOM 0 H GLU A 89 18.315 5.731 -9.581 1.00 0.11 H new ATOM 0 HA GLU A 89 17.274 3.043 -8.906 1.00 0.11 H new ATOM 0 HB2 GLU A 89 19.106 3.957 -11.154 1.00 0.16 H new ATOM 0 HB3 GLU A 89 18.438 2.351 -10.940 1.00 0.16 H new ATOM 0 HG2 GLU A 89 16.174 3.185 -11.320 1.00 0.26 H new ATOM 0 HG3 GLU A 89 16.753 4.838 -11.379 1.00 0.26 H new ATOM 1433 N VAL A 90 19.476 2.140 -8.071 1.00 0.10 N ATOM 1434 CA VAL A 90 20.650 1.724 -7.332 1.00 0.11 C ATOM 1435 C VAL A 90 21.565 0.859 -8.192 1.00 0.10 C ATOM 1436 O VAL A 90 21.115 -0.018 -8.932 1.00 0.12 O ATOM 1437 CB VAL A 90 20.246 0.972 -6.039 1.00 0.12 C ATOM 1438 CG1 VAL A 90 21.332 0.025 -5.577 1.00 0.12 C ATOM 1439 CG2 VAL A 90 19.927 1.960 -4.932 1.00 0.15 C ATOM 0 H VAL A 90 18.766 1.415 -8.176 1.00 0.10 H new ATOM 0 HA VAL A 90 21.202 2.621 -7.051 1.00 0.11 H new ATOM 0 HB VAL A 90 19.359 0.382 -6.270 1.00 0.12 H new ATOM 0 HG11 VAL A 90 21.010 -0.483 -4.668 1.00 0.12 H new ATOM 0 HG12 VAL A 90 21.526 -0.713 -6.355 1.00 0.12 H new ATOM 0 HG13 VAL A 90 22.243 0.588 -5.375 1.00 0.12 H new ATOM 0 HG21 VAL A 90 19.645 1.417 -4.030 1.00 0.15 H new ATOM 0 HG22 VAL A 90 20.805 2.573 -4.727 1.00 0.15 H new ATOM 0 HG23 VAL A 90 19.102 2.601 -5.243 1.00 0.15 H new ATOM 1449 N TYR A 91 22.850 1.138 -8.077 1.00 0.12 N ATOM 1450 CA TYR A 91 23.892 0.407 -8.780 1.00 0.14 C ATOM 1451 C TYR A 91 25.041 0.186 -7.814 1.00 0.14 C ATOM 1452 O TYR A 91 25.049 0.755 -6.729 1.00 0.20 O ATOM 1453 CB TYR A 91 24.376 1.171 -10.015 1.00 0.17 C ATOM 1454 CG TYR A 91 23.339 1.301 -11.107 1.00 0.19 C ATOM 1455 CD1 TYR A 91 23.084 0.253 -11.978 1.00 0.43 C ATOM 1456 CD2 TYR A 91 22.619 2.473 -11.269 1.00 0.26 C ATOM 1457 CE1 TYR A 91 22.139 0.372 -12.979 1.00 0.49 C ATOM 1458 CE2 TYR A 91 21.673 2.606 -12.263 1.00 0.25 C ATOM 1459 CZ TYR A 91 21.435 1.551 -13.116 1.00 0.30 C ATOM 1460 OH TYR A 91 20.495 1.673 -14.110 1.00 0.36 O ATOM 0 H TYR A 91 23.206 1.889 -7.485 1.00 0.12 H new ATOM 0 HA TYR A 91 23.495 -0.546 -9.129 1.00 0.14 H new ATOM 0 HB2 TYR A 91 24.694 2.168 -9.710 1.00 0.17 H new ATOM 0 HB3 TYR A 91 25.253 0.667 -10.420 1.00 0.17 H new ATOM 0 HD1 TYR A 91 23.633 -0.671 -11.872 1.00 0.43 H new ATOM 0 HD2 TYR A 91 22.803 3.302 -10.601 1.00 0.26 H new ATOM 0 HE1 TYR A 91 21.952 -0.453 -13.650 1.00 0.49 H new ATOM 0 HE2 TYR A 91 21.123 3.529 -12.372 1.00 0.25 H new ATOM 0 HH TYR A 91 20.089 2.564 -14.069 1.00 0.36 H new ATOM 1470 N GLN A 92 25.987 -0.651 -8.176 1.00 0.19 N ATOM 1471 CA GLN A 92 27.066 -0.998 -7.273 1.00 0.21 C ATOM 1472 C GLN A 92 28.227 -0.019 -7.408 1.00 0.23 C ATOM 1473 O GLN A 92 28.726 0.225 -8.503 1.00 0.26 O ATOM 1474 CB GLN A 92 27.539 -2.424 -7.552 1.00 0.27 C ATOM 1475 CG GLN A 92 27.955 -3.159 -6.298 1.00 0.24 C ATOM 1476 CD GLN A 92 27.085 -4.363 -6.012 1.00 0.36 C ATOM 1477 OE1 GLN A 92 26.007 -4.150 -5.272 1.00 0.37 O flip ATOM 1478 NE2 GLN A 92 27.374 -5.474 -6.453 1.00 0.68 N flip ATOM 0 H GLN A 92 26.033 -1.105 -9.088 1.00 0.19 H new ATOM 0 HA GLN A 92 26.693 -0.939 -6.251 1.00 0.21 H new ATOM 0 HB2 GLN A 92 26.739 -2.978 -8.044 1.00 0.27 H new ATOM 0 HB3 GLN A 92 28.379 -2.394 -8.246 1.00 0.27 H new ATOM 0 HG2 GLN A 92 28.992 -3.480 -6.397 1.00 0.24 H new ATOM 0 HG3 GLN A 92 27.913 -2.475 -5.450 1.00 0.24 H new ATOM 0 HE21 GLN A 92 28.214 -5.595 -7.019 1.00 0.68 H new ATOM 0 HE22 GLN A 92 26.774 -6.274 -6.253 1.00 0.68 H new ATOM 1487 N GLU A 93 28.646 0.539 -6.275 1.00 0.25 N ATOM 1488 CA GLU A 93 29.749 1.494 -6.222 1.00 0.28 C ATOM 1489 C GLU A 93 31.079 0.766 -6.391 1.00 0.32 C ATOM 1490 O GLU A 93 31.856 1.057 -7.301 1.00 0.35 O ATOM 1491 CB GLU A 93 29.726 2.219 -4.873 1.00 0.29 C ATOM 1492 CG GLU A 93 29.014 3.560 -4.875 1.00 0.42 C ATOM 1493 CD GLU A 93 29.760 4.641 -5.637 1.00 1.03 C ATOM 1494 OE1 GLU A 93 30.946 4.892 -5.323 1.00 1.25 O ATOM 1495 OE2 GLU A 93 29.184 5.204 -6.586 1.00 1.79 O ATOM 0 H GLU A 93 28.229 0.341 -5.366 1.00 0.25 H new ATOM 0 HA GLU A 93 29.638 2.218 -7.029 1.00 0.28 H new ATOM 0 HB2 GLU A 93 29.247 1.572 -4.138 1.00 0.29 H new ATOM 0 HB3 GLU A 93 30.753 2.371 -4.542 1.00 0.29 H new ATOM 0 HG2 GLU A 93 28.024 3.436 -5.313 1.00 0.42 H new ATOM 0 HG3 GLU A 93 28.869 3.887 -3.845 1.00 0.42 H new ATOM 1502 N GLN A 94 31.320 -0.186 -5.503 1.00 0.40 N ATOM 1503 CA GLN A 94 32.516 -1.017 -5.551 1.00 0.44 C ATOM 1504 C GLN A 94 32.118 -2.477 -5.393 1.00 0.42 C ATOM 1505 O GLN A 94 30.964 -2.830 -5.624 1.00 0.48 O ATOM 1506 CB GLN A 94 33.497 -0.623 -4.442 1.00 0.49 C ATOM 1507 CG GLN A 94 34.019 0.799 -4.552 1.00 0.82 C ATOM 1508 CD GLN A 94 35.012 1.139 -3.458 1.00 1.24 C ATOM 1509 OE1 GLN A 94 34.926 0.627 -2.343 1.00 1.90 O ATOM 1510 NE2 GLN A 94 35.958 2.009 -3.769 1.00 1.95 N ATOM 0 H GLN A 94 30.693 -0.405 -4.729 1.00 0.40 H new ATOM 0 HA GLN A 94 33.009 -0.870 -6.512 1.00 0.44 H new ATOM 0 HB2 GLN A 94 33.005 -0.744 -3.477 1.00 0.49 H new ATOM 0 HB3 GLN A 94 34.342 -1.311 -4.458 1.00 0.49 H new ATOM 0 HG2 GLN A 94 34.494 0.934 -5.524 1.00 0.82 H new ATOM 0 HG3 GLN A 94 33.181 1.495 -4.507 1.00 0.82 H new ATOM 0 HE21 GLN A 94 35.994 2.410 -4.706 1.00 1.95 H new ATOM 0 HE22 GLN A 94 36.652 2.279 -3.072 1.00 1.95 H new ATOM 1519 N THR A 95 33.072 -3.324 -5.030 1.00 0.44 N ATOM 1520 CA THR A 95 32.791 -4.727 -4.745 1.00 0.52 C ATOM 1521 C THR A 95 31.674 -4.864 -3.701 1.00 0.47 C ATOM 1522 O THR A 95 31.495 -3.997 -2.838 1.00 0.57 O ATOM 1523 CB THR A 95 34.068 -5.454 -4.257 1.00 0.72 C ATOM 1524 OG1 THR A 95 33.817 -6.854 -4.087 1.00 1.17 O ATOM 1525 CG2 THR A 95 34.576 -4.866 -2.948 1.00 0.80 C ATOM 0 H THR A 95 34.053 -3.063 -4.925 1.00 0.44 H new ATOM 0 HA THR A 95 32.456 -5.193 -5.671 1.00 0.52 H new ATOM 0 HB THR A 95 34.834 -5.314 -5.020 1.00 0.72 H new ATOM 0 HG1 THR A 95 34.635 -7.298 -3.780 1.00 1.17 H new ATOM 0 HG21 THR A 95 35.473 -5.399 -2.634 1.00 0.80 H new ATOM 0 HG22 THR A 95 34.812 -3.811 -3.090 1.00 0.80 H new ATOM 0 HG23 THR A 95 33.807 -4.966 -2.182 1.00 0.80 H new ATOM 1533 N GLY A 96 30.898 -5.937 -3.826 1.00 0.59 N ATOM 1534 CA GLY A 96 29.785 -6.185 -2.930 1.00 0.65 C ATOM 1535 C GLY A 96 30.174 -6.237 -1.463 1.00 0.72 C ATOM 1536 O GLY A 96 31.310 -6.568 -1.116 1.00 0.99 O ATOM 0 H GLY A 96 31.025 -6.649 -4.545 1.00 0.59 H new ATOM 0 HA2 GLY A 96 29.038 -5.404 -3.070 1.00 0.65 H new ATOM 0 HA3 GLY A 96 29.314 -7.129 -3.204 1.00 0.65 H new ATOM 1540 N GLY A 97 29.208 -5.938 -0.608 1.00 0.82 N ATOM 1541 CA GLY A 97 29.447 -5.912 0.818 1.00 1.11 C ATOM 1542 C GLY A 97 29.019 -7.204 1.477 1.00 1.32 C ATOM 1543 O GLY A 97 27.831 -7.322 1.844 1.00 1.74 O ATOM 1544 OXT GLY A 97 29.861 -8.116 1.598 1.00 1.79 O ATOM 0 H GLY A 97 28.252 -5.711 -0.882 1.00 0.82 H new ATOM 0 HA2 GLY A 97 30.507 -5.740 1.007 1.00 1.11 H new ATOM 0 HA3 GLY A 97 28.904 -5.078 1.263 1.00 1.11 H new TER 1548 GLY A 97 ATOM 1549 N LYS B 721 -11.840 -11.390 -19.258 1.00 23.34 N ATOM 1550 CA LYS B 721 -10.701 -11.472 -20.200 1.00 23.33 C ATOM 1551 C LYS B 721 -9.435 -10.932 -19.569 1.00 22.27 C ATOM 1552 O LYS B 721 -8.332 -11.394 -19.864 1.00 22.01 O ATOM 1553 CB LYS B 721 -10.981 -10.699 -21.491 1.00 23.86 C ATOM 1554 CG LYS B 721 -11.960 -11.374 -22.433 1.00 24.92 C ATOM 1555 CD LYS B 721 -13.400 -11.081 -22.064 1.00 25.37 C ATOM 1556 CE LYS B 721 -14.347 -11.517 -23.168 1.00 26.01 C ATOM 1557 NZ LYS B 721 -14.107 -10.767 -24.433 1.00 26.46 N ATOM 0 HA LYS B 721 -10.567 -12.527 -20.441 1.00 23.33 H new ATOM 0 HB2 LYS B 721 -11.368 -9.713 -21.232 1.00 23.86 H new ATOM 0 HB3 LYS B 721 -10.039 -10.544 -22.017 1.00 23.86 H new ATOM 0 HG2 LYS B 721 -11.772 -11.038 -23.453 1.00 24.92 H new ATOM 0 HG3 LYS B 721 -11.794 -12.451 -22.417 1.00 24.92 H new ATOM 0 HD2 LYS B 721 -13.654 -11.597 -21.138 1.00 25.37 H new ATOM 0 HD3 LYS B 721 -13.521 -10.014 -21.877 1.00 25.37 H new ATOM 0 HE2 LYS B 721 -14.225 -12.585 -23.350 1.00 26.01 H new ATOM 0 HE3 LYS B 721 -15.377 -11.364 -22.845 1.00 26.01 H new ATOM 0 HZ1 LYS B 721 -14.967 -10.787 -25.017 1.00 26.46 H new ATOM 0 HZ2 LYS B 721 -13.862 -9.781 -24.211 1.00 26.46 H new ATOM 0 HZ3 LYS B 721 -13.324 -11.209 -24.955 1.00 26.46 H new ATOM 1571 N THR B 722 -9.593 -9.952 -18.707 1.00 21.74 N ATOM 1572 CA THR B 722 -8.453 -9.331 -18.058 1.00 20.74 C ATOM 1573 C THR B 722 -7.948 -10.193 -16.909 1.00 19.93 C ATOM 1574 O THR B 722 -8.703 -10.562 -16.005 1.00 20.05 O ATOM 1575 CB THR B 722 -8.799 -7.921 -17.552 1.00 20.58 C ATOM 1576 OG1 THR B 722 -10.071 -7.934 -16.891 1.00 20.45 O ATOM 1577 CG2 THR B 722 -8.832 -6.928 -18.703 1.00 21.21 C ATOM 0 H THR B 722 -10.498 -9.566 -18.437 1.00 21.74 H new ATOM 0 HA THR B 722 -7.661 -9.241 -18.801 1.00 20.74 H new ATOM 0 HB THR B 722 -8.027 -7.613 -16.847 1.00 20.58 H new ATOM 0 HG1 THR B 722 -10.147 -8.744 -16.344 1.00 20.45 H new ATOM 0 HG21 THR B 722 -9.079 -5.937 -18.322 1.00 21.21 H new ATOM 0 HG22 THR B 722 -7.855 -6.898 -19.186 1.00 21.21 H new ATOM 0 HG23 THR B 722 -9.586 -7.236 -19.428 1.00 21.21 H new ATOM 1585 N SER B 723 -6.668 -10.509 -16.949 1.00 19.19 N ATOM 1586 CA SER B 723 -6.066 -11.368 -15.951 1.00 18.40 C ATOM 1587 C SER B 723 -5.134 -10.568 -15.054 1.00 17.37 C ATOM 1588 O SER B 723 -4.438 -9.662 -15.519 1.00 17.20 O ATOM 1589 CB SER B 723 -5.300 -12.502 -16.634 1.00 18.37 C ATOM 1590 OG SER B 723 -6.119 -13.166 -17.586 1.00 18.76 O ATOM 0 H SER B 723 -6.022 -10.181 -17.667 1.00 19.19 H new ATOM 0 HA SER B 723 -6.856 -11.796 -15.333 1.00 18.40 H new ATOM 0 HB2 SER B 723 -4.414 -12.102 -17.127 1.00 18.37 H new ATOM 0 HB3 SER B 723 -4.954 -13.215 -15.886 1.00 18.37 H new ATOM 0 HG SER B 723 -5.608 -13.886 -18.011 1.00 18.76 H new ATOM 1596 N VAL B 724 -5.134 -10.895 -13.774 1.00 16.76 N ATOM 1597 CA VAL B 724 -4.276 -10.229 -12.814 1.00 15.78 C ATOM 1598 C VAL B 724 -3.416 -11.246 -12.074 1.00 14.88 C ATOM 1599 O VAL B 724 -3.887 -12.323 -11.699 1.00 15.05 O ATOM 1600 CB VAL B 724 -5.102 -9.397 -11.803 1.00 15.85 C ATOM 1601 CG1 VAL B 724 -6.083 -10.273 -11.035 1.00 15.86 C ATOM 1602 CG2 VAL B 724 -4.196 -8.644 -10.847 1.00 15.16 C ATOM 0 H VAL B 724 -5.724 -11.624 -13.374 1.00 16.76 H new ATOM 0 HA VAL B 724 -3.628 -9.548 -13.365 1.00 15.78 H new ATOM 0 HB VAL B 724 -5.678 -8.668 -12.373 1.00 15.85 H new ATOM 0 HG11 VAL B 724 -6.647 -9.659 -10.334 1.00 15.86 H new ATOM 0 HG12 VAL B 724 -6.770 -10.749 -11.734 1.00 15.86 H new ATOM 0 HG13 VAL B 724 -5.535 -11.039 -10.487 1.00 15.86 H new ATOM 0 HG21 VAL B 724 -4.803 -8.068 -10.148 1.00 15.16 H new ATOM 0 HG22 VAL B 724 -3.581 -9.354 -10.294 1.00 15.16 H new ATOM 0 HG23 VAL B 724 -3.553 -7.969 -11.411 1.00 15.16 H new ATOM 1612 N ALA B 725 -2.151 -10.908 -11.892 1.00 14.05 N ATOM 1613 CA ALA B 725 -1.240 -11.737 -11.133 1.00 13.23 C ATOM 1614 C ALA B 725 -0.721 -10.956 -9.940 1.00 12.42 C ATOM 1615 O ALA B 725 -0.352 -9.787 -10.072 1.00 12.30 O ATOM 1616 CB ALA B 725 -0.090 -12.206 -12.014 1.00 12.89 C ATOM 0 H ALA B 725 -1.732 -10.056 -12.265 1.00 14.05 H new ATOM 0 HA ALA B 725 -1.769 -12.620 -10.774 1.00 13.23 H new ATOM 0 HB1 ALA B 725 0.587 -12.828 -11.428 1.00 12.89 H new ATOM 0 HB2 ALA B 725 -0.484 -12.785 -12.849 1.00 12.89 H new ATOM 0 HB3 ALA B 725 0.452 -11.341 -12.396 1.00 12.89 H new ATOM 1622 N THR B 726 -0.697 -11.589 -8.785 1.00 11.98 N ATOM 1623 CA THR B 726 -0.281 -10.908 -7.575 1.00 11.24 C ATOM 1624 C THR B 726 1.166 -11.244 -7.248 1.00 10.08 C ATOM 1625 O THR B 726 1.610 -12.384 -7.417 1.00 9.86 O ATOM 1626 CB THR B 726 -1.175 -11.289 -6.378 1.00 11.44 C ATOM 1627 OG1 THR B 726 -0.884 -10.452 -5.251 1.00 12.47 O ATOM 1628 CG2 THR B 726 -0.955 -12.743 -6.002 1.00 10.81 C ATOM 0 H THR B 726 -0.958 -12.567 -8.658 1.00 11.98 H new ATOM 0 HA THR B 726 -0.377 -9.837 -7.754 1.00 11.24 H new ATOM 0 HB THR B 726 -2.216 -11.146 -6.667 1.00 11.44 H new ATOM 0 HG1 THR B 726 -1.460 -10.704 -4.499 1.00 12.47 H new ATOM 0 HG21 THR B 726 -1.592 -13.000 -5.156 1.00 10.81 H new ATOM 0 HG22 THR B 726 -1.204 -13.380 -6.851 1.00 10.81 H new ATOM 0 HG23 THR B 726 0.089 -12.894 -5.729 1.00 10.81 H new ATOM 1636 N GLN B 727 1.912 -10.247 -6.825 1.00 9.47 N ATOM 1637 CA GLN B 727 3.246 -10.473 -6.326 1.00 8.43 C ATOM 1638 C GLN B 727 3.425 -9.845 -4.962 1.00 7.65 C ATOM 1639 O GLN B 727 2.704 -8.920 -4.583 1.00 7.99 O ATOM 1640 CB GLN B 727 4.281 -9.964 -7.314 1.00 8.39 C ATOM 1641 CG GLN B 727 4.510 -10.958 -8.429 1.00 8.72 C ATOM 1642 CD GLN B 727 5.496 -10.470 -9.473 1.00 8.93 C ATOM 1643 OE1 GLN B 727 6.411 -9.702 -9.177 1.00 8.98 O ATOM 1644 NE2 GLN B 727 5.321 -10.924 -10.702 1.00 9.30 N ATOM 0 H GLN B 727 1.615 -9.271 -6.818 1.00 9.47 H new ATOM 0 HA GLN B 727 3.394 -11.547 -6.214 1.00 8.43 H new ATOM 0 HB2 GLN B 727 3.950 -9.014 -7.733 1.00 8.39 H new ATOM 0 HB3 GLN B 727 5.220 -9.774 -6.795 1.00 8.39 H new ATOM 0 HG2 GLN B 727 4.874 -11.893 -8.004 1.00 8.72 H new ATOM 0 HG3 GLN B 727 3.558 -11.177 -8.912 1.00 8.72 H new ATOM 0 HE21 GLN B 727 4.550 -11.559 -10.906 1.00 9.30 H new ATOM 0 HE22 GLN B 727 5.957 -10.639 -11.446 1.00 9.30 H new ATOM 1653 N CYS B 728 4.399 -10.352 -4.236 1.00 6.74 N ATOM 1654 CA CYS B 728 4.681 -9.878 -2.903 1.00 6.01 C ATOM 1655 C CYS B 728 5.557 -8.642 -2.964 1.00 5.23 C ATOM 1656 O CYS B 728 6.311 -8.444 -3.918 1.00 5.13 O ATOM 1657 CB CYS B 728 5.378 -10.976 -2.111 1.00 5.72 C ATOM 1658 SG CYS B 728 5.760 -10.533 -0.399 1.00 5.93 S ATOM 0 H CYS B 728 5.014 -11.101 -4.554 1.00 6.74 H new ATOM 0 HA CYS B 728 3.745 -9.617 -2.408 1.00 6.01 H new ATOM 0 HB2 CYS B 728 4.747 -11.865 -2.112 1.00 5.72 H new ATOM 0 HB3 CYS B 728 6.304 -11.243 -2.620 1.00 5.72 H new ATOM 0 HG CYS B 728 6.348 -11.533 0.187 1.00 5.93 H new ATOM 1664 N ASP B 729 5.467 -7.830 -1.934 1.00 4.88 N ATOM 1665 CA ASP B 729 6.230 -6.604 -1.864 1.00 4.30 C ATOM 1666 C ASP B 729 7.374 -6.809 -0.898 1.00 3.24 C ATOM 1667 O ASP B 729 7.167 -7.229 0.241 1.00 3.27 O ATOM 1668 CB ASP B 729 5.341 -5.433 -1.438 1.00 4.94 C ATOM 1669 CG ASP B 729 4.398 -5.006 -2.545 1.00 5.81 C ATOM 1670 OD1 ASP B 729 4.870 -4.773 -3.677 1.00 6.40 O ATOM 1671 OD2 ASP B 729 3.174 -4.922 -2.300 1.00 6.15 O ATOM 0 H ASP B 729 4.867 -7.999 -1.127 1.00 4.88 H new ATOM 0 HA ASP B 729 6.628 -6.356 -2.848 1.00 4.30 H new ATOM 0 HB2 ASP B 729 4.763 -5.717 -0.559 1.00 4.94 H new ATOM 0 HB3 ASP B 729 5.967 -4.589 -1.149 1.00 4.94 H new ATOM 1676 N PRO B 730 8.599 -6.532 -1.349 1.00 2.69 N ATOM 1677 CA PRO B 730 9.805 -6.879 -0.612 1.00 1.98 C ATOM 1678 C PRO B 730 10.064 -5.966 0.575 1.00 1.62 C ATOM 1679 O PRO B 730 9.159 -5.301 1.078 1.00 1.76 O ATOM 1680 CB PRO B 730 10.907 -6.727 -1.656 1.00 2.46 C ATOM 1681 CG PRO B 730 10.398 -5.702 -2.606 1.00 3.15 C ATOM 1682 CD PRO B 730 8.899 -5.829 -2.608 1.00 3.33 C ATOM 0 HA PRO B 730 9.737 -7.876 -0.177 1.00 1.98 H new ATOM 0 HB2 PRO B 730 11.844 -6.410 -1.198 1.00 2.46 H new ATOM 0 HB3 PRO B 730 11.104 -7.672 -2.163 1.00 2.46 H new ATOM 0 HG2 PRO B 730 10.702 -4.702 -2.297 1.00 3.15 H new ATOM 0 HG3 PRO B 730 10.802 -5.864 -3.605 1.00 3.15 H new ATOM 0 HD2 PRO B 730 8.416 -4.853 -2.645 1.00 3.33 H new ATOM 0 HD3 PRO B 730 8.547 -6.392 -3.473 1.00 3.33 H new ATOM 1690 N GLU B 731 11.307 -5.956 1.015 1.00 1.33 N ATOM 1691 CA GLU B 731 11.717 -5.184 2.172 1.00 1.11 C ATOM 1692 C GLU B 731 11.403 -3.703 2.003 1.00 0.98 C ATOM 1693 O GLU B 731 11.640 -3.105 0.948 1.00 1.17 O ATOM 1694 CB GLU B 731 13.212 -5.359 2.427 1.00 1.22 C ATOM 1695 CG GLU B 731 14.050 -5.099 1.194 1.00 1.01 C ATOM 1696 CD GLU B 731 14.354 -6.354 0.406 1.00 1.84 C ATOM 1697 OE1 GLU B 731 13.585 -7.333 0.509 1.00 2.37 O ATOM 1698 OE2 GLU B 731 15.355 -6.359 -0.335 1.00 2.59 O ATOM 0 H GLU B 731 12.063 -6.484 0.579 1.00 1.33 H new ATOM 0 HA GLU B 731 11.152 -5.558 3.026 1.00 1.11 H new ATOM 0 HB2 GLU B 731 13.523 -4.681 3.222 1.00 1.22 H new ATOM 0 HB3 GLU B 731 13.400 -6.373 2.782 1.00 1.22 H new ATOM 0 HG2 GLU B 731 13.528 -4.391 0.550 1.00 1.01 H new ATOM 0 HG3 GLU B 731 14.987 -4.628 1.492 1.00 1.01 H new ATOM 1705 N GLU B 732 10.863 -3.125 3.053 1.00 0.91 N ATOM 1706 CA GLU B 732 10.617 -1.700 3.104 1.00 0.89 C ATOM 1707 C GLU B 732 11.755 -0.999 3.824 1.00 0.66 C ATOM 1708 O GLU B 732 12.240 -1.467 4.853 1.00 0.71 O ATOM 1709 CB GLU B 732 9.310 -1.387 3.831 1.00 1.15 C ATOM 1710 CG GLU B 732 9.169 0.087 4.180 1.00 1.40 C ATOM 1711 CD GLU B 732 8.184 0.334 5.304 1.00 2.02 C ATOM 1712 OE1 GLU B 732 8.509 0.009 6.467 1.00 2.40 O ATOM 1713 OE2 GLU B 732 7.085 0.865 5.037 1.00 2.41 O ATOM 0 H GLU B 732 10.582 -3.628 3.895 1.00 0.91 H new ATOM 0 HA GLU B 732 10.545 -1.343 2.077 1.00 0.89 H new ATOM 0 HB2 GLU B 732 8.470 -1.690 3.206 1.00 1.15 H new ATOM 0 HB3 GLU B 732 9.257 -1.979 4.745 1.00 1.15 H new ATOM 0 HG2 GLU B 732 10.144 0.483 4.464 1.00 1.40 H new ATOM 0 HG3 GLU B 732 8.848 0.636 3.295 1.00 1.40 H new ATOM 1720 N ILE B 733 12.187 0.108 3.272 1.00 0.53 N ATOM 1721 CA ILE B 733 13.117 0.979 3.954 1.00 0.40 C ATOM 1722 C ILE B 733 12.326 2.153 4.501 1.00 0.35 C ATOM 1723 O ILE B 733 11.392 2.618 3.851 1.00 0.38 O ATOM 1724 CB ILE B 733 14.240 1.486 3.010 1.00 0.38 C ATOM 1725 CG1 ILE B 733 15.232 0.364 2.677 1.00 0.48 C ATOM 1726 CG2 ILE B 733 14.982 2.654 3.643 1.00 0.45 C ATOM 1727 CD1 ILE B 733 14.645 -0.797 1.914 1.00 1.01 C ATOM 0 H ILE B 733 11.908 0.430 2.345 1.00 0.53 H new ATOM 0 HA ILE B 733 13.608 0.426 4.755 1.00 0.40 H new ATOM 0 HB ILE B 733 13.769 1.819 2.085 1.00 0.38 H new ATOM 0 HG12 ILE B 733 16.052 0.785 2.095 1.00 0.48 H new ATOM 0 HG13 ILE B 733 15.660 -0.010 3.607 1.00 0.48 H new ATOM 0 HG21 ILE B 733 15.766 2.996 2.967 1.00 0.45 H new ATOM 0 HG22 ILE B 733 14.284 3.469 3.832 1.00 0.45 H new ATOM 0 HG23 ILE B 733 15.429 2.334 4.584 1.00 0.45 H new ATOM 0 HD11 ILE B 733 15.422 -1.538 1.725 1.00 1.01 H new ATOM 0 HD12 ILE B 733 13.845 -1.250 2.500 1.00 1.01 H new ATOM 0 HD13 ILE B 733 14.243 -0.443 0.965 1.00 1.01 H new ATOM 1739 N ILE B 734 12.664 2.631 5.683 1.00 0.31 N ATOM 1740 CA ILE B 734 11.939 3.737 6.264 1.00 0.30 C ATOM 1741 C ILE B 734 12.566 5.045 5.824 1.00 0.29 C ATOM 1742 O ILE B 734 13.780 5.124 5.630 1.00 0.37 O ATOM 1743 CB ILE B 734 11.924 3.646 7.812 1.00 0.29 C ATOM 1744 CG1 ILE B 734 13.228 3.038 8.370 1.00 0.28 C ATOM 1745 CG2 ILE B 734 10.729 2.830 8.275 1.00 0.34 C ATOM 1746 CD1 ILE B 734 14.449 3.933 8.277 1.00 0.29 C ATOM 0 H ILE B 734 13.430 2.272 6.253 1.00 0.31 H new ATOM 0 HA ILE B 734 10.907 3.693 5.916 1.00 0.30 H new ATOM 0 HB ILE B 734 11.845 4.662 8.199 1.00 0.29 H new ATOM 0 HG12 ILE B 734 13.069 2.775 9.416 1.00 0.28 H new ATOM 0 HG13 ILE B 734 13.435 2.111 7.836 1.00 0.28 H new ATOM 0 HG21 ILE B 734 10.728 2.772 9.363 1.00 0.34 H new ATOM 0 HG22 ILE B 734 9.809 3.307 7.936 1.00 0.34 H new ATOM 0 HG23 ILE B 734 10.791 1.825 7.858 1.00 0.34 H new ATOM 0 HD11 ILE B 734 15.312 3.415 8.695 1.00 0.29 H new ATOM 0 HD12 ILE B 734 14.643 4.177 7.232 1.00 0.29 H new ATOM 0 HD13 ILE B 734 14.271 4.851 8.837 1.00 0.29 H new ATOM 1758 N VAL B 735 11.751 6.064 5.627 1.00 0.29 N ATOM 1759 CA VAL B 735 12.289 7.343 5.231 1.00 0.28 C ATOM 1760 C VAL B 735 12.695 8.135 6.460 1.00 0.29 C ATOM 1761 O VAL B 735 12.135 7.982 7.550 1.00 0.34 O ATOM 1762 CB VAL B 735 11.315 8.183 4.367 1.00 0.31 C ATOM 1763 CG1 VAL B 735 10.171 8.743 5.186 1.00 0.39 C ATOM 1764 CG2 VAL B 735 12.070 9.311 3.676 1.00 0.60 C ATOM 0 H VAL B 735 10.737 6.031 5.733 1.00 0.29 H new ATOM 0 HA VAL B 735 13.158 7.133 4.607 1.00 0.28 H new ATOM 0 HB VAL B 735 10.885 7.521 3.616 1.00 0.31 H new ATOM 0 HG11 VAL B 735 9.513 9.325 4.541 1.00 0.39 H new ATOM 0 HG12 VAL B 735 9.609 7.924 5.634 1.00 0.39 H new ATOM 0 HG13 VAL B 735 10.567 9.384 5.974 1.00 0.39 H new ATOM 0 HG21 VAL B 735 11.377 9.896 3.071 1.00 0.60 H new ATOM 0 HG22 VAL B 735 12.529 9.955 4.426 1.00 0.60 H new ATOM 0 HG23 VAL B 735 12.845 8.891 3.035 1.00 0.60 H new ATOM 1774 N LEU B 736 13.675 8.969 6.253 1.00 0.28 N ATOM 1775 CA LEU B 736 14.194 9.849 7.265 1.00 0.32 C ATOM 1776 C LEU B 736 13.336 11.091 7.363 1.00 0.33 C ATOM 1777 O LEU B 736 12.437 11.304 6.548 1.00 0.35 O ATOM 1778 CB LEU B 736 15.624 10.213 6.904 1.00 0.43 C ATOM 1779 CG LEU B 736 15.903 10.214 5.405 1.00 0.32 C ATOM 1780 CD1 LEU B 736 16.066 11.624 4.876 1.00 0.45 C ATOM 1781 CD2 LEU B 736 17.130 9.378 5.108 1.00 0.43 C ATOM 0 H LEU B 736 14.148 9.059 5.354 1.00 0.28 H new ATOM 0 HA LEU B 736 14.179 9.352 8.235 1.00 0.32 H new ATOM 0 HB2 LEU B 736 15.849 11.201 7.306 1.00 0.43 H new ATOM 0 HB3 LEU B 736 16.301 9.510 7.389 1.00 0.43 H new ATOM 0 HG LEU B 736 15.046 9.773 4.895 1.00 0.32 H new ATOM 0 HD11 LEU B 736 16.264 11.590 3.805 1.00 0.45 H new ATOM 0 HD12 LEU B 736 15.152 12.189 5.058 1.00 0.45 H new ATOM 0 HD13 LEU B 736 16.900 12.109 5.384 1.00 0.45 H new ATOM 0 HD21 LEU B 736 17.323 9.383 4.035 1.00 0.43 H new ATOM 0 HD22 LEU B 736 17.990 9.794 5.633 1.00 0.43 H new ATOM 0 HD23 LEU B 736 16.962 8.354 5.441 1.00 0.43 H new ATOM 1793 N SER B 737 13.616 11.904 8.353 1.00 0.40 N ATOM 1794 CA SER B 737 12.814 13.079 8.595 1.00 0.49 C ATOM 1795 C SER B 737 13.278 14.183 7.660 1.00 0.55 C ATOM 1796 O SER B 737 14.477 14.345 7.419 1.00 0.57 O ATOM 1797 CB SER B 737 12.952 13.497 10.057 1.00 0.56 C ATOM 1798 OG SER B 737 12.699 12.394 10.914 1.00 1.51 O ATOM 0 H SER B 737 14.391 11.774 9.003 1.00 0.40 H new ATOM 0 HA SER B 737 11.761 12.873 8.402 1.00 0.49 H new ATOM 0 HB2 SER B 737 13.955 13.884 10.238 1.00 0.56 H new ATOM 0 HB3 SER B 737 12.254 14.305 10.278 1.00 0.56 H new ATOM 0 HG SER B 737 12.793 12.677 11.848 1.00 1.51 H new ATOM 1804 N ASP B 738 12.326 14.940 7.132 1.00 0.80 N ATOM 1805 CA ASP B 738 12.594 15.833 6.015 1.00 0.92 C ATOM 1806 C ASP B 738 13.439 17.013 6.439 1.00 0.86 C ATOM 1807 O ASP B 738 13.162 17.688 7.429 1.00 1.00 O ATOM 1808 CB ASP B 738 11.298 16.319 5.363 1.00 1.31 C ATOM 1809 CG ASP B 738 10.283 16.847 6.357 1.00 1.55 C ATOM 1810 OD1 ASP B 738 9.536 16.026 6.931 1.00 1.76 O ATOM 1811 OD2 ASP B 738 10.211 18.073 6.557 1.00 1.90 O ATOM 0 H ASP B 738 11.360 14.953 7.460 1.00 0.80 H new ATOM 0 HA ASP B 738 13.154 15.259 5.277 1.00 0.92 H new ATOM 0 HB2 ASP B 738 11.534 17.104 4.645 1.00 1.31 H new ATOM 0 HB3 ASP B 738 10.852 15.497 4.802 1.00 1.31 H new ATOM 1816 N SER B 739 14.497 17.231 5.679 1.00 0.81 N ATOM 1817 CA SER B 739 15.500 18.204 6.030 1.00 0.85 C ATOM 1818 C SER B 739 15.469 19.422 5.110 1.00 0.94 C ATOM 1819 O SER B 739 15.791 19.319 3.922 1.00 1.35 O ATOM 1820 CB SER B 739 16.847 17.511 5.913 1.00 0.96 C ATOM 1821 OG SER B 739 16.927 16.399 6.795 1.00 1.50 O ATOM 0 H SER B 739 14.679 16.737 4.805 1.00 0.81 H new ATOM 0 HA SER B 739 15.314 18.569 7.040 1.00 0.85 H new ATOM 0 HB2 SER B 739 17.000 17.177 4.887 1.00 0.96 H new ATOM 0 HB3 SER B 739 17.645 18.218 6.141 1.00 0.96 H new ATOM 0 HG SER B 739 17.287 16.691 7.658 1.00 1.50 H new ATOM 1827 N ASP B 740 15.102 20.569 5.666 1.00 0.89 N ATOM 1828 CA ASP B 740 15.176 21.847 4.966 1.00 0.97 C ATOM 1829 C ASP B 740 15.062 22.975 5.980 1.00 1.26 C ATOM 1830 O ASP B 740 13.952 23.178 6.518 1.00 1.80 O ATOM 1831 CB ASP B 740 14.057 21.964 3.927 1.00 1.09 C ATOM 1832 CG ASP B 740 14.084 23.274 3.167 1.00 1.56 C ATOM 1833 OD1 ASP B 740 13.626 24.300 3.708 1.00 1.95 O ATOM 1834 OD2 ASP B 740 14.535 23.275 2.002 1.00 1.95 O ATOM 1835 OXT ASP B 740 16.089 23.617 6.282 1.00 1.87 O ATOM 0 H ASP B 740 14.743 20.641 6.618 1.00 0.89 H new ATOM 0 HA ASP B 740 16.131 21.912 4.444 1.00 0.97 H new ATOM 0 HB2 ASP B 740 14.139 21.139 3.219 1.00 1.09 H new ATOM 0 HB3 ASP B 740 13.094 21.861 4.427 1.00 1.09 H new TER 1840 ASP B 740