USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=42 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 74 ASN :FLIP amide:sc= -0.391 F(o=-7.9!,f=-3.9) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -3.52 K(o=-3.9,f=-6.2!) USER MOD Set 2.1: A 51 TYR OH : rot 42:sc= -1.26 USER MOD Set 2.2: A 55 GLN :FLIP amide:sc= -1.78 F(o=-5.1!,f=-3) USER MOD Set 3.1: A 52 CYS SG : rot 63:sc= -7.04! USER MOD Set 3.2: A 59 MET CE :methyl 162:sc= -7.31! (180deg=-6.87!) USER MOD Set 4.1: A 42 THR OG1 : rot -160:sc= 0.97 USER MOD Set 4.2: B 739 SER OG : rot 105:sc= 1.1 USER MOD Set 5.1: A 29 GLN :FLIP amide:sc= -2.06 F(o=-4.3!,f=-2.1) USER MOD Set 5.2: A 92 GLN :FLIP amide:sc= 0 F(o=-3,f=-2.1) USER MOD Set 6.1: A 17 LYS NZ :NH3+ -156:sc= 1.23 (180deg=0) USER MOD Set 6.2: A 21 TYR OH : rot -153:sc= 2.07 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.0733 (180deg=-0.518) USER MOD Single : A 1 MET N :NH3+ -132:sc= 1.36 (180deg=-0.111) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.155 F(o=-1.3!,f=-0.16) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -42:sc= 0.312 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= -0.0473 (180deg=-0.326) USER MOD Single : A 23 LYS NZ :NH3+ 169:sc= 1.23 (180deg=0.664) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -140:sc=-0.00505 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= 1.43 (180deg=1.15!) USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= 0.409 (180deg=-0.558) USER MOD Single : A 40 MET CE :methyl 166:sc= -4.96! (180deg=-5.39!) USER MOD Single : A 41 THR OG1 : rot -64:sc= -0.376! USER MOD Single : A 43 HIS : no HD1:sc= -0.0479 X(o=-0.048,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -108:sc= 1.26 (180deg=-0.16) USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.14) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 1.19 (180deg=1.08) USER MOD Single : A 50 SER OG : rot -131:sc= 1.19 USER MOD Single : A 53 GLN :FLIP amide:sc= -1.23 F(o=-3.3!,f=-1.2) USER MOD Single : A 60 ASN : amide:sc= -0.495 K(o=-0.49,f=-1.1) USER MOD Single : A 61 SER OG : rot -48:sc= -0.0532! USER MOD Single : A 69 GLN : amide:sc= -4.74! C(o=-4.7!,f=-4.9!) USER MOD Single : A 76 THR OG1 : rot 104:sc= -0.325 USER MOD Single : A 78 LYS NZ :NH3+ -154:sc= 1.33 (180deg=0.0367) USER MOD Single : A 82 MET CE :methyl 134:sc= -6.25! (180deg=-9.39!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.672 F(o=-5!,f=-0.67) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : B 721 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 722 THR OG1 : rot 31:sc= 0.101 USER MOD Single : B 723 SER OG : rot 180:sc= 0 USER MOD Single : B 726 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : B 727 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 728 CYS SG : rot 180:sc= 0.0287 USER MOD Single : B 737 SER OG : rot 180:sc= 0.0973 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.369 31.764 -2.014 1.00 23.69 N ATOM 2 CA MET A 1 -20.391 30.824 -1.427 1.00 23.15 C ATOM 3 C MET A 1 -18.999 31.455 -1.411 1.00 22.30 C ATOM 4 O MET A 1 -18.528 31.960 -2.421 1.00 21.95 O ATOM 5 CB MET A 1 -20.368 29.496 -2.204 1.00 23.34 C ATOM 6 CG MET A 1 -20.026 29.634 -3.684 1.00 23.82 C ATOM 7 SD MET A 1 -21.371 30.328 -4.669 1.00 24.35 S ATOM 8 CE MET A 1 -22.573 29.001 -4.593 1.00 24.62 C ATOM 0 H1 MET A 1 -22.208 31.819 -1.402 1.00 23.69 H new ATOM 0 H2 MET A 1 -20.938 32.707 -2.096 1.00 23.69 H new ATOM 0 H3 MET A 1 -21.650 31.429 -2.958 1.00 23.69 H new ATOM 0 HA MET A 1 -20.694 30.610 -0.402 1.00 23.15 H new ATOM 0 HB2 MET A 1 -19.643 28.829 -1.737 1.00 23.34 H new ATOM 0 HB3 MET A 1 -21.344 29.019 -2.113 1.00 23.34 H new ATOM 0 HG2 MET A 1 -19.145 30.267 -3.788 1.00 23.82 H new ATOM 0 HG3 MET A 1 -19.763 28.654 -4.081 1.00 23.82 H new ATOM 0 HE1 MET A 1 -23.274 29.097 -5.422 1.00 24.62 H new ATOM 0 HE2 MET A 1 -22.060 28.041 -4.660 1.00 24.62 H new ATOM 0 HE3 MET A 1 -23.117 29.056 -3.650 1.00 24.62 H new ATOM 18 N SER A 2 -18.364 31.462 -0.248 1.00 22.07 N ATOM 19 CA SER A 2 -17.023 32.028 -0.121 1.00 21.38 C ATOM 20 C SER A 2 -16.032 31.014 0.450 1.00 20.96 C ATOM 21 O SER A 2 -14.822 31.142 0.272 1.00 20.50 O ATOM 22 CB SER A 2 -17.067 33.265 0.775 1.00 21.51 C ATOM 23 OG SER A 2 -18.046 34.186 0.319 1.00 22.01 O ATOM 0 H SER A 2 -18.750 31.086 0.618 1.00 22.07 H new ATOM 0 HA SER A 2 -16.682 32.304 -1.119 1.00 21.38 H new ATOM 0 HB2 SER A 2 -17.290 32.969 1.800 1.00 21.51 H new ATOM 0 HB3 SER A 2 -16.088 33.745 0.788 1.00 21.51 H new ATOM 0 HG SER A 2 -18.058 34.969 0.908 1.00 22.01 H new ATOM 29 N ASP A 3 -16.553 30.007 1.136 1.00 21.23 N ATOM 30 CA ASP A 3 -15.715 29.054 1.858 1.00 21.04 C ATOM 31 C ASP A 3 -15.635 27.713 1.141 1.00 21.00 C ATOM 32 O ASP A 3 -14.552 27.251 0.777 1.00 20.71 O ATOM 33 CB ASP A 3 -16.257 28.845 3.279 1.00 21.47 C ATOM 34 CG ASP A 3 -17.775 28.922 3.347 1.00 21.77 C ATOM 35 OD1 ASP A 3 -18.438 28.377 2.445 1.00 22.30 O ATOM 36 OD2 ASP A 3 -18.314 29.484 4.327 1.00 21.57 O ATOM 0 H ASP A 3 -17.554 29.827 1.209 1.00 21.23 H new ATOM 0 HA ASP A 3 -14.710 29.473 1.904 1.00 21.04 H new ATOM 0 HB2 ASP A 3 -15.930 27.873 3.649 1.00 21.47 H new ATOM 0 HB3 ASP A 3 -15.829 29.598 3.941 1.00 21.47 H new ATOM 41 N GLN A 4 -16.788 27.105 0.932 1.00 21.39 N ATOM 42 CA GLN A 4 -16.885 25.763 0.375 1.00 21.53 C ATOM 43 C GLN A 4 -16.544 25.716 -1.113 1.00 21.32 C ATOM 44 O GLN A 4 -16.775 24.704 -1.777 1.00 21.35 O ATOM 45 CB GLN A 4 -18.285 25.214 0.622 1.00 22.34 C ATOM 46 CG GLN A 4 -18.566 24.957 2.096 1.00 22.66 C ATOM 47 CD GLN A 4 -20.003 25.235 2.496 1.00 23.24 C ATOM 48 OE1 GLN A 4 -20.590 26.280 1.933 1.00 23.63 O flip ATOM 49 NE2 GLN A 4 -20.564 24.545 3.350 1.00 23.40 N flip ATOM 0 H GLN A 4 -17.691 27.529 1.144 1.00 21.39 H new ATOM 0 HA GLN A 4 -16.147 25.140 0.880 1.00 21.53 H new ATOM 0 HB2 GLN A 4 -19.020 25.919 0.234 1.00 22.34 H new ATOM 0 HB3 GLN A 4 -18.409 24.285 0.066 1.00 22.34 H new ATOM 0 HG2 GLN A 4 -18.327 23.919 2.328 1.00 22.66 H new ATOM 0 HG3 GLN A 4 -17.903 25.579 2.698 1.00 22.66 H new ATOM 0 HE21 GLN A 4 -20.079 23.747 3.761 1.00 23.40 H new ATOM 0 HE22 GLN A 4 -21.513 24.772 3.646 1.00 23.40 H new ATOM 58 N GLU A 5 -15.998 26.806 -1.637 1.00 21.21 N ATOM 59 CA GLU A 5 -15.467 26.805 -2.991 1.00 21.16 C ATOM 60 C GLU A 5 -14.169 26.013 -3.011 1.00 20.14 C ATOM 61 O GLU A 5 -13.819 25.385 -4.011 1.00 20.05 O ATOM 62 CB GLU A 5 -15.232 28.229 -3.494 1.00 21.82 C ATOM 63 CG GLU A 5 -16.494 29.070 -3.535 1.00 22.75 C ATOM 64 CD GLU A 5 -16.300 30.369 -4.285 1.00 23.18 C ATOM 65 OE1 GLU A 5 -16.484 30.374 -5.520 1.00 23.50 O ATOM 66 OE2 GLU A 5 -15.971 31.387 -3.647 1.00 23.28 O ATOM 0 H GLU A 5 -15.912 27.697 -1.147 1.00 21.21 H new ATOM 0 HA GLU A 5 -16.194 26.339 -3.657 1.00 21.16 H new ATOM 0 HB2 GLU A 5 -14.500 28.717 -2.851 1.00 21.82 H new ATOM 0 HB3 GLU A 5 -14.800 28.186 -4.494 1.00 21.82 H new ATOM 0 HG2 GLU A 5 -17.293 28.498 -4.007 1.00 22.75 H new ATOM 0 HG3 GLU A 5 -16.816 29.287 -2.516 1.00 22.75 H new ATOM 73 N ALA A 6 -13.465 26.033 -1.887 1.00 19.46 N ATOM 74 CA ALA A 6 -12.283 25.214 -1.703 1.00 18.52 C ATOM 75 C ALA A 6 -12.588 24.103 -0.712 1.00 17.92 C ATOM 76 O ALA A 6 -12.676 24.350 0.492 1.00 18.12 O ATOM 77 CB ALA A 6 -11.115 26.061 -1.220 1.00 18.20 C ATOM 0 H ALA A 6 -13.699 26.616 -1.083 1.00 19.46 H new ATOM 0 HA ALA A 6 -12.001 24.771 -2.658 1.00 18.52 H new ATOM 0 HB1 ALA A 6 -10.237 25.429 -1.088 1.00 18.20 H new ATOM 0 HB2 ALA A 6 -10.897 26.834 -1.957 1.00 18.20 H new ATOM 0 HB3 ALA A 6 -11.373 26.528 -0.269 1.00 18.20 H new ATOM 83 N LYS A 7 -12.797 22.895 -1.246 1.00 17.33 N ATOM 84 CA LYS A 7 -13.154 21.713 -0.450 1.00 16.82 C ATOM 85 C LYS A 7 -12.421 21.669 0.890 1.00 15.93 C ATOM 86 O LYS A 7 -11.190 21.596 0.930 1.00 15.33 O ATOM 87 CB LYS A 7 -12.858 20.418 -1.210 1.00 16.60 C ATOM 88 CG LYS A 7 -13.411 20.394 -2.623 1.00 16.97 C ATOM 89 CD LYS A 7 -12.297 20.239 -3.646 1.00 17.70 C ATOM 90 CE LYS A 7 -11.066 21.024 -3.228 1.00 18.30 C ATOM 91 NZ LYS A 7 -10.203 21.377 -4.385 1.00 19.04 N ATOM 0 H LYS A 7 -12.723 22.708 -2.246 1.00 17.33 H new ATOM 0 HA LYS A 7 -14.224 21.795 -0.261 1.00 16.82 H new ATOM 0 HB2 LYS A 7 -11.779 20.270 -1.250 1.00 16.60 H new ATOM 0 HB3 LYS A 7 -13.274 19.578 -0.653 1.00 16.60 H new ATOM 0 HG2 LYS A 7 -14.119 19.572 -2.725 1.00 16.97 H new ATOM 0 HG3 LYS A 7 -13.961 21.315 -2.817 1.00 16.97 H new ATOM 0 HD2 LYS A 7 -12.042 19.185 -3.755 1.00 17.70 H new ATOM 0 HD3 LYS A 7 -12.641 20.586 -4.620 1.00 17.70 H new ATOM 0 HE2 LYS A 7 -11.375 21.936 -2.717 1.00 18.30 H new ATOM 0 HE3 LYS A 7 -10.489 20.438 -2.513 1.00 18.30 H new ATOM 0 HZ1 LYS A 7 -9.376 21.912 -4.051 1.00 19.04 H new ATOM 0 HZ2 LYS A 7 -9.885 20.508 -4.859 1.00 19.04 H new ATOM 0 HZ3 LYS A 7 -10.743 21.959 -5.056 1.00 19.04 H new ATOM 105 N PRO A 8 -13.173 21.702 2.000 1.00 15.97 N ATOM 106 CA PRO A 8 -12.618 21.633 3.356 1.00 15.31 C ATOM 107 C PRO A 8 -12.142 20.226 3.710 1.00 14.44 C ATOM 108 O PRO A 8 -12.522 19.659 4.737 1.00 14.27 O ATOM 109 CB PRO A 8 -13.792 22.048 4.260 1.00 16.05 C ATOM 110 CG PRO A 8 -14.874 22.517 3.341 1.00 16.96 C ATOM 111 CD PRO A 8 -14.634 21.825 2.032 1.00 16.80 C ATOM 0 HA PRO A 8 -11.742 22.272 3.467 1.00 15.31 H new ATOM 0 HB2 PRO A 8 -14.132 21.209 4.867 1.00 16.05 H new ATOM 0 HB3 PRO A 8 -13.494 22.839 4.948 1.00 16.05 H new ATOM 0 HG2 PRO A 8 -15.858 22.269 3.739 1.00 16.96 H new ATOM 0 HG3 PRO A 8 -14.842 23.600 3.221 1.00 16.96 H new ATOM 0 HD2 PRO A 8 -15.124 20.852 1.992 1.00 16.80 H new ATOM 0 HD3 PRO A 8 -15.011 22.407 1.191 1.00 16.80 H new ATOM 119 N SER A 9 -11.332 19.662 2.834 1.00 14.02 N ATOM 120 CA SER A 9 -10.778 18.337 3.037 1.00 13.33 C ATOM 121 C SER A 9 -9.319 18.300 2.575 1.00 12.66 C ATOM 122 O SER A 9 -8.711 17.233 2.465 1.00 12.16 O ATOM 123 CB SER A 9 -11.616 17.304 2.275 1.00 13.64 C ATOM 124 OG SER A 9 -11.277 15.977 2.645 1.00 13.73 O ATOM 0 H SER A 9 -11.040 20.108 1.964 1.00 14.02 H new ATOM 0 HA SER A 9 -10.806 18.093 4.099 1.00 13.33 H new ATOM 0 HB2 SER A 9 -12.674 17.477 2.471 1.00 13.64 H new ATOM 0 HB3 SER A 9 -11.466 17.433 1.203 1.00 13.64 H new ATOM 0 HG SER A 9 -10.303 15.897 2.722 1.00 13.73 H new ATOM 130 N THR A 10 -8.752 19.472 2.311 1.00 12.84 N ATOM 131 CA THR A 10 -7.414 19.545 1.740 1.00 12.49 C ATOM 132 C THR A 10 -6.574 20.634 2.407 1.00 11.94 C ATOM 133 O THR A 10 -5.637 20.338 3.147 1.00 11.47 O ATOM 134 CB THR A 10 -7.488 19.808 0.223 1.00 13.21 C ATOM 135 OG1 THR A 10 -8.423 18.902 -0.378 1.00 13.91 O ATOM 136 CG2 THR A 10 -6.125 19.637 -0.432 1.00 13.47 C ATOM 0 H THR A 10 -9.193 20.376 2.481 1.00 12.84 H new ATOM 0 HA THR A 10 -6.933 18.584 1.920 1.00 12.49 H new ATOM 0 HB THR A 10 -7.816 20.836 0.072 1.00 13.21 H new ATOM 0 HG1 THR A 10 -8.470 19.072 -1.342 1.00 13.91 H new ATOM 0 HG21 THR A 10 -6.209 19.829 -1.502 1.00 13.47 H new ATOM 0 HG22 THR A 10 -5.419 20.341 0.009 1.00 13.47 H new ATOM 0 HG23 THR A 10 -5.770 18.619 -0.273 1.00 13.47 H new ATOM 144 N GLU A 11 -6.945 21.891 2.174 1.00 12.19 N ATOM 145 CA GLU A 11 -6.192 23.043 2.683 1.00 11.97 C ATOM 146 C GLU A 11 -6.214 23.102 4.210 1.00 11.14 C ATOM 147 O GLU A 11 -5.495 23.887 4.828 1.00 11.00 O ATOM 148 CB GLU A 11 -6.777 24.332 2.115 1.00 13.04 C ATOM 149 CG GLU A 11 -6.634 24.438 0.609 1.00 13.94 C ATOM 150 CD GLU A 11 -5.201 24.647 0.170 1.00 14.51 C ATOM 151 OE1 GLU A 11 -4.744 25.807 0.151 1.00 14.71 O ATOM 152 OE2 GLU A 11 -4.525 23.650 -0.152 1.00 14.88 O ATOM 0 H GLU A 11 -7.771 22.143 1.631 1.00 12.19 H new ATOM 0 HA GLU A 11 -5.156 22.931 2.365 1.00 11.97 H new ATOM 0 HB2 GLU A 11 -7.833 24.392 2.379 1.00 13.04 H new ATOM 0 HB3 GLU A 11 -6.283 25.184 2.582 1.00 13.04 H new ATOM 0 HG2 GLU A 11 -7.022 23.530 0.147 1.00 13.94 H new ATOM 0 HG3 GLU A 11 -7.244 25.266 0.248 1.00 13.94 H new ATOM 159 N ASP A 12 -7.050 22.270 4.801 1.00 10.76 N ATOM 160 CA ASP A 12 -7.257 22.259 6.238 1.00 10.14 C ATOM 161 C ASP A 12 -6.220 21.389 6.938 1.00 9.01 C ATOM 162 O ASP A 12 -6.019 21.497 8.148 1.00 8.48 O ATOM 163 CB ASP A 12 -8.662 21.741 6.546 1.00 10.63 C ATOM 164 CG ASP A 12 -9.725 22.457 5.736 1.00 11.09 C ATOM 165 OD1 ASP A 12 -9.899 22.129 4.543 1.00 11.38 O ATOM 166 OD2 ASP A 12 -10.402 23.348 6.292 1.00 11.37 O ATOM 0 H ASP A 12 -7.607 21.580 4.297 1.00 10.76 H new ATOM 0 HA ASP A 12 -7.149 23.278 6.610 1.00 10.14 H new ATOM 0 HB2 ASP A 12 -8.707 20.672 6.338 1.00 10.63 H new ATOM 0 HB3 ASP A 12 -8.870 21.868 7.608 1.00 10.63 H new ATOM 171 N LEU A 13 -5.563 20.521 6.182 1.00 8.84 N ATOM 172 CA LEU A 13 -4.582 19.603 6.748 1.00 7.95 C ATOM 173 C LEU A 13 -3.164 19.984 6.331 1.00 7.12 C ATOM 174 O LEU A 13 -2.969 20.885 5.512 1.00 7.51 O ATOM 175 CB LEU A 13 -4.875 18.155 6.318 1.00 8.51 C ATOM 176 CG LEU A 13 -6.227 17.587 6.763 1.00 9.12 C ATOM 177 CD1 LEU A 13 -7.346 18.039 5.834 1.00 9.39 C ATOM 178 CD2 LEU A 13 -6.166 16.068 6.833 1.00 9.90 C ATOM 0 H LEU A 13 -5.691 20.432 5.174 1.00 8.84 H new ATOM 0 HA LEU A 13 -4.658 19.674 7.833 1.00 7.95 H new ATOM 0 HB2 LEU A 13 -4.820 18.101 5.231 1.00 8.51 H new ATOM 0 HB3 LEU A 13 -4.086 17.513 6.710 1.00 8.51 H new ATOM 0 HG LEU A 13 -6.446 17.972 7.759 1.00 9.12 H new ATOM 0 HD11 LEU A 13 -8.293 17.621 6.175 1.00 9.39 H new ATOM 0 HD12 LEU A 13 -7.407 19.127 5.840 1.00 9.39 H new ATOM 0 HD13 LEU A 13 -7.140 17.693 4.821 1.00 9.39 H new ATOM 0 HD21 LEU A 13 -7.134 15.679 7.150 1.00 9.90 H new ATOM 0 HD22 LEU A 13 -5.919 15.668 5.850 1.00 9.90 H new ATOM 0 HD23 LEU A 13 -5.401 15.767 7.549 1.00 9.90 H new ATOM 190 N GLY A 14 -2.179 19.312 6.922 1.00 6.21 N ATOM 191 CA GLY A 14 -0.798 19.468 6.504 1.00 5.51 C ATOM 192 C GLY A 14 -0.108 20.668 7.120 1.00 4.93 C ATOM 193 O GLY A 14 0.922 20.522 7.786 1.00 4.74 O ATOM 0 H GLY A 14 -2.317 18.656 7.691 1.00 6.21 H new ATOM 0 HA2 GLY A 14 -0.244 18.567 6.767 1.00 5.51 H new ATOM 0 HA3 GLY A 14 -0.764 19.558 5.418 1.00 5.51 H new ATOM 197 N ASP A 15 -0.704 21.844 6.938 1.00 5.09 N ATOM 198 CA ASP A 15 -0.086 23.116 7.323 1.00 5.13 C ATOM 199 C ASP A 15 0.210 23.170 8.820 1.00 4.49 C ATOM 200 O ASP A 15 1.115 23.881 9.260 1.00 4.69 O ATOM 201 CB ASP A 15 -1.009 24.279 6.929 1.00 5.97 C ATOM 202 CG ASP A 15 -0.392 25.644 7.179 1.00 6.53 C ATOM 203 OD1 ASP A 15 0.312 26.159 6.287 1.00 6.83 O ATOM 204 OD2 ASP A 15 -0.592 26.199 8.281 1.00 6.93 O ATOM 0 H ASP A 15 -1.629 21.945 6.520 1.00 5.09 H new ATOM 0 HA ASP A 15 0.863 23.202 6.795 1.00 5.13 H new ATOM 0 HB2 ASP A 15 -1.264 24.190 5.873 1.00 5.97 H new ATOM 0 HB3 ASP A 15 -1.941 24.201 7.489 1.00 5.97 H new ATOM 209 N LYS A 16 -0.544 22.397 9.595 1.00 4.20 N ATOM 210 CA LYS A 16 -0.403 22.375 11.046 1.00 4.16 C ATOM 211 C LYS A 16 0.974 21.879 11.481 1.00 3.46 C ATOM 212 O LYS A 16 1.476 22.279 12.530 1.00 3.74 O ATOM 213 CB LYS A 16 -1.490 21.505 11.671 1.00 4.88 C ATOM 214 CG LYS A 16 -2.874 22.127 11.599 1.00 5.72 C ATOM 215 CD LYS A 16 -2.971 23.354 12.489 1.00 6.55 C ATOM 216 CE LYS A 16 -4.155 24.223 12.103 1.00 7.29 C ATOM 217 NZ LYS A 16 -3.938 24.888 10.792 1.00 7.77 N ATOM 0 H LYS A 16 -1.266 21.772 9.237 1.00 4.20 H new ATOM 0 HA LYS A 16 -0.511 23.401 11.397 1.00 4.16 H new ATOM 0 HB2 LYS A 16 -1.507 20.539 11.167 1.00 4.88 H new ATOM 0 HB3 LYS A 16 -1.238 21.315 12.714 1.00 4.88 H new ATOM 0 HG2 LYS A 16 -3.098 22.403 10.569 1.00 5.72 H new ATOM 0 HG3 LYS A 16 -3.621 21.394 11.903 1.00 5.72 H new ATOM 0 HD2 LYS A 16 -3.068 23.044 13.530 1.00 6.55 H new ATOM 0 HD3 LYS A 16 -2.051 23.934 12.414 1.00 6.55 H new ATOM 0 HE2 LYS A 16 -5.057 23.612 12.057 1.00 7.29 H new ATOM 0 HE3 LYS A 16 -4.320 24.978 12.872 1.00 7.29 H new ATOM 0 HZ1 LYS A 16 -4.559 25.719 10.717 1.00 7.77 H new ATOM 0 HZ2 LYS A 16 -2.946 25.190 10.716 1.00 7.77 H new ATOM 0 HZ3 LYS A 16 -4.157 24.222 10.024 1.00 7.77 H new ATOM 231 N LYS A 17 1.586 21.027 10.673 1.00 2.93 N ATOM 232 CA LYS A 17 2.896 20.490 11.013 1.00 2.61 C ATOM 233 C LYS A 17 3.982 21.205 10.221 1.00 2.32 C ATOM 234 O LYS A 17 4.851 21.860 10.792 1.00 2.80 O ATOM 235 CB LYS A 17 2.955 18.989 10.749 1.00 2.77 C ATOM 236 CG LYS A 17 3.995 18.277 11.598 1.00 3.05 C ATOM 237 CD LYS A 17 4.205 16.849 11.142 1.00 3.51 C ATOM 238 CE LYS A 17 4.852 16.812 9.773 1.00 3.23 C ATOM 239 NZ LYS A 17 5.094 15.422 9.306 1.00 3.83 N ATOM 0 H LYS A 17 1.203 20.695 9.788 1.00 2.93 H new ATOM 0 HA LYS A 17 3.066 20.657 12.077 1.00 2.61 H new ATOM 0 HB2 LYS A 17 1.975 18.553 10.943 1.00 2.77 H new ATOM 0 HB3 LYS A 17 3.176 18.819 9.695 1.00 2.77 H new ATOM 0 HG2 LYS A 17 4.940 18.818 11.547 1.00 3.05 H new ATOM 0 HG3 LYS A 17 3.680 18.284 12.641 1.00 3.05 H new ATOM 0 HD2 LYS A 17 4.833 16.322 11.860 1.00 3.51 H new ATOM 0 HD3 LYS A 17 3.248 16.328 11.111 1.00 3.51 H new ATOM 0 HE2 LYS A 17 4.213 17.329 9.057 1.00 3.23 H new ATOM 0 HE3 LYS A 17 5.798 17.353 9.805 1.00 3.23 H new ATOM 0 HZ1 LYS A 17 5.865 15.420 8.608 1.00 3.83 H new ATOM 0 HZ2 LYS A 17 5.358 14.825 10.115 1.00 3.83 H new ATOM 0 HZ3 LYS A 17 4.229 15.047 8.867 1.00 3.83 H new ATOM 253 N GLU A 18 3.926 21.072 8.903 1.00 1.92 N ATOM 254 CA GLU A 18 4.876 21.725 8.019 1.00 1.92 C ATOM 255 C GLU A 18 4.288 21.853 6.621 1.00 1.51 C ATOM 256 O GLU A 18 3.080 21.714 6.443 1.00 1.60 O ATOM 257 CB GLU A 18 6.182 20.935 7.971 1.00 2.31 C ATOM 258 CG GLU A 18 6.021 19.484 7.560 1.00 2.92 C ATOM 259 CD GLU A 18 7.331 18.734 7.632 1.00 3.74 C ATOM 260 OE1 GLU A 18 8.196 18.967 6.773 1.00 4.37 O ATOM 261 OE2 GLU A 18 7.499 17.911 8.557 1.00 4.12 O ATOM 0 H GLU A 18 3.224 20.511 8.420 1.00 1.92 H new ATOM 0 HA GLU A 18 5.085 22.723 8.405 1.00 1.92 H new ATOM 0 HB2 GLU A 18 6.863 21.424 7.274 1.00 2.31 H new ATOM 0 HB3 GLU A 18 6.651 20.972 8.954 1.00 2.31 H new ATOM 0 HG2 GLU A 18 5.289 19.001 8.208 1.00 2.92 H new ATOM 0 HG3 GLU A 18 5.629 19.435 6.544 1.00 2.92 H new ATOM 268 N GLY A 19 5.132 22.162 5.649 1.00 1.76 N ATOM 269 CA GLY A 19 4.698 22.148 4.267 1.00 1.75 C ATOM 270 C GLY A 19 4.573 20.731 3.732 1.00 1.41 C ATOM 271 O GLY A 19 3.831 19.915 4.280 1.00 1.51 O ATOM 0 H GLY A 19 6.108 22.422 5.791 1.00 1.76 H new ATOM 0 HA2 GLY A 19 3.737 22.655 4.182 1.00 1.75 H new ATOM 0 HA3 GLY A 19 5.408 22.706 3.657 1.00 1.75 H new ATOM 275 N GLU A 20 5.299 20.433 2.669 1.00 1.32 N ATOM 276 CA GLU A 20 5.261 19.105 2.081 1.00 1.19 C ATOM 277 C GLU A 20 6.641 18.704 1.588 1.00 0.95 C ATOM 278 O GLU A 20 7.458 19.551 1.221 1.00 1.16 O ATOM 279 CB GLU A 20 4.247 19.060 0.934 1.00 1.68 C ATOM 280 CG GLU A 20 3.168 18.000 1.116 1.00 2.62 C ATOM 281 CD GLU A 20 3.628 16.604 0.736 1.00 3.39 C ATOM 282 OE1 GLU A 20 4.513 16.047 1.421 1.00 3.82 O ATOM 283 OE2 GLU A 20 3.109 16.057 -0.265 1.00 3.98 O ATOM 0 H GLU A 20 5.920 21.090 2.196 1.00 1.32 H new ATOM 0 HA GLU A 20 4.949 18.394 2.846 1.00 1.19 H new ATOM 0 HB2 GLU A 20 3.773 20.037 0.841 1.00 1.68 H new ATOM 0 HB3 GLU A 20 4.776 18.872 -0.000 1.00 1.68 H new ATOM 0 HG2 GLU A 20 2.843 17.997 2.156 1.00 2.62 H new ATOM 0 HG3 GLU A 20 2.301 18.266 0.512 1.00 2.62 H new ATOM 290 N TYR A 21 6.897 17.412 1.603 1.00 0.69 N ATOM 291 CA TYR A 21 8.164 16.871 1.131 1.00 0.47 C ATOM 292 C TYR A 21 8.023 16.444 -0.326 1.00 0.30 C ATOM 293 O TYR A 21 6.988 16.650 -0.951 1.00 0.33 O ATOM 294 CB TYR A 21 8.590 15.642 1.947 1.00 0.51 C ATOM 295 CG TYR A 21 8.186 15.648 3.404 1.00 0.49 C ATOM 296 CD1 TYR A 21 6.885 15.356 3.787 1.00 1.13 C ATOM 297 CD2 TYR A 21 9.105 15.973 4.395 1.00 1.23 C ATOM 298 CE1 TYR A 21 6.513 15.383 5.115 1.00 1.36 C ATOM 299 CE2 TYR A 21 8.742 15.997 5.726 1.00 1.60 C ATOM 300 CZ TYR A 21 7.444 15.615 6.082 1.00 1.34 C ATOM 301 OH TYR A 21 7.079 15.725 7.406 1.00 1.85 O ATOM 0 H TYR A 21 6.240 16.708 1.940 1.00 0.69 H new ATOM 0 HA TYR A 21 8.918 17.651 1.241 1.00 0.47 H new ATOM 0 HB2 TYR A 21 8.170 14.753 1.476 1.00 0.51 H new ATOM 0 HB3 TYR A 21 9.675 15.550 1.890 1.00 0.51 H new ATOM 0 HD1 TYR A 21 6.153 15.104 3.034 1.00 1.13 H new ATOM 0 HD2 TYR A 21 10.121 16.211 4.118 1.00 1.23 H new ATOM 0 HE1 TYR A 21 5.481 15.220 5.389 1.00 1.36 H new ATOM 0 HE2 TYR A 21 9.449 16.306 6.482 1.00 1.60 H new ATOM 0 HH TYR A 21 7.727 16.288 7.878 1.00 1.85 H new ATOM 311 N ILE A 22 9.068 15.834 -0.845 1.00 0.23 N ATOM 312 CA ILE A 22 9.034 15.241 -2.174 1.00 0.18 C ATOM 313 C ILE A 22 9.461 13.781 -2.109 1.00 0.16 C ATOM 314 O ILE A 22 10.299 13.392 -1.303 1.00 0.19 O ATOM 315 CB ILE A 22 9.910 16.026 -3.178 1.00 0.21 C ATOM 316 CG1 ILE A 22 11.353 16.130 -2.691 1.00 0.29 C ATOM 317 CG2 ILE A 22 9.330 17.410 -3.427 1.00 0.26 C ATOM 318 CD1 ILE A 22 12.248 15.050 -3.244 1.00 0.40 C ATOM 0 H ILE A 22 9.962 15.733 -0.364 1.00 0.23 H new ATOM 0 HA ILE A 22 8.007 15.293 -2.536 1.00 0.18 H new ATOM 0 HB ILE A 22 9.913 15.476 -4.119 1.00 0.21 H new ATOM 0 HG12 ILE A 22 11.754 17.104 -2.971 1.00 0.29 H new ATOM 0 HG13 ILE A 22 11.366 16.081 -1.602 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.961 17.947 -4.136 1.00 0.26 H new ATOM 0 HG22 ILE A 22 8.324 17.315 -3.836 1.00 0.26 H new ATOM 0 HG23 ILE A 22 9.289 17.962 -2.488 1.00 0.26 H new ATOM 0 HD11 ILE A 22 13.259 15.182 -2.858 1.00 0.40 H new ATOM 0 HD12 ILE A 22 11.869 14.074 -2.942 1.00 0.40 H new ATOM 0 HD13 ILE A 22 12.264 15.112 -4.332 1.00 0.40 H new ATOM 330 N LYS A 23 8.846 12.984 -2.956 1.00 0.17 N ATOM 331 CA LYS A 23 8.977 11.540 -2.912 1.00 0.20 C ATOM 332 C LYS A 23 9.945 11.055 -3.975 1.00 0.18 C ATOM 333 O LYS A 23 10.058 11.658 -5.027 1.00 0.28 O ATOM 334 CB LYS A 23 7.619 10.869 -3.107 1.00 0.32 C ATOM 335 CG LYS A 23 7.627 9.378 -2.805 1.00 0.32 C ATOM 336 CD LYS A 23 6.696 8.632 -3.735 1.00 0.49 C ATOM 337 CE LYS A 23 5.247 9.072 -3.559 1.00 0.88 C ATOM 338 NZ LYS A 23 4.337 8.408 -4.532 1.00 1.17 N ATOM 0 H LYS A 23 8.236 13.321 -3.701 1.00 0.17 H new ATOM 0 HA LYS A 23 9.367 11.270 -1.931 1.00 0.20 H new ATOM 0 HB2 LYS A 23 6.886 11.357 -2.465 1.00 0.32 H new ATOM 0 HB3 LYS A 23 7.292 11.021 -4.136 1.00 0.32 H new ATOM 0 HG2 LYS A 23 8.640 8.988 -2.908 1.00 0.32 H new ATOM 0 HG3 LYS A 23 7.325 9.211 -1.771 1.00 0.32 H new ATOM 0 HD2 LYS A 23 7.003 8.798 -4.767 1.00 0.49 H new ATOM 0 HD3 LYS A 23 6.776 7.561 -3.547 1.00 0.49 H new ATOM 0 HE2 LYS A 23 4.920 8.844 -2.544 1.00 0.88 H new ATOM 0 HE3 LYS A 23 5.180 10.153 -3.680 1.00 0.88 H new ATOM 0 HZ1 LYS A 23 3.349 8.588 -4.262 1.00 1.17 H new ATOM 0 HZ2 LYS A 23 4.510 8.788 -5.484 1.00 1.17 H new ATOM 0 HZ3 LYS A 23 4.515 7.383 -4.531 1.00 1.17 H new ATOM 352 N LEU A 24 10.716 10.041 -3.668 1.00 0.18 N ATOM 353 CA LEU A 24 11.526 9.400 -4.683 1.00 0.17 C ATOM 354 C LEU A 24 11.186 7.919 -4.744 1.00 0.20 C ATOM 355 O LEU A 24 10.729 7.327 -3.761 1.00 0.29 O ATOM 356 CB LEU A 24 13.038 9.566 -4.453 1.00 0.20 C ATOM 357 CG LEU A 24 13.585 11.000 -4.336 1.00 0.21 C ATOM 358 CD1 LEU A 24 13.125 11.865 -5.502 1.00 0.19 C ATOM 359 CD2 LEU A 24 13.208 11.628 -3.001 1.00 0.24 C ATOM 0 H LEU A 24 10.802 9.642 -2.733 1.00 0.18 H new ATOM 0 HA LEU A 24 11.293 9.893 -5.627 1.00 0.17 H new ATOM 0 HB2 LEU A 24 13.300 9.030 -3.541 1.00 0.20 H new ATOM 0 HB3 LEU A 24 13.559 9.073 -5.273 1.00 0.20 H new ATOM 0 HG LEU A 24 14.673 10.941 -4.378 1.00 0.21 H new ATOM 0 HD11 LEU A 24 13.528 12.871 -5.390 1.00 0.19 H new ATOM 0 HD12 LEU A 24 13.481 11.434 -6.438 1.00 0.19 H new ATOM 0 HD13 LEU A 24 12.036 11.910 -5.514 1.00 0.19 H new ATOM 0 HD21 LEU A 24 13.609 12.640 -2.949 1.00 0.24 H new ATOM 0 HD22 LEU A 24 12.122 11.662 -2.909 1.00 0.24 H new ATOM 0 HD23 LEU A 24 13.622 11.031 -2.188 1.00 0.24 H new ATOM 371 N LYS A 25 11.371 7.358 -5.921 1.00 0.15 N ATOM 372 CA LYS A 25 11.225 5.934 -6.151 1.00 0.16 C ATOM 373 C LYS A 25 12.606 5.302 -6.153 1.00 0.12 C ATOM 374 O LYS A 25 13.361 5.478 -7.102 1.00 0.13 O ATOM 375 CB LYS A 25 10.550 5.717 -7.509 1.00 0.22 C ATOM 376 CG LYS A 25 10.551 4.277 -7.994 1.00 0.70 C ATOM 377 CD LYS A 25 9.434 3.456 -7.368 1.00 0.48 C ATOM 378 CE LYS A 25 9.323 2.100 -8.042 1.00 0.52 C ATOM 379 NZ LYS A 25 7.979 1.484 -7.865 1.00 1.11 N ATOM 0 H LYS A 25 11.630 7.884 -6.756 1.00 0.15 H new ATOM 0 HA LYS A 25 10.615 5.479 -5.370 1.00 0.16 H new ATOM 0 HB2 LYS A 25 9.519 6.065 -7.447 1.00 0.22 H new ATOM 0 HB3 LYS A 25 11.051 6.337 -8.252 1.00 0.22 H new ATOM 0 HG2 LYS A 25 10.446 4.261 -9.079 1.00 0.70 H new ATOM 0 HG3 LYS A 25 11.511 3.818 -7.760 1.00 0.70 H new ATOM 0 HD2 LYS A 25 9.626 3.324 -6.303 1.00 0.48 H new ATOM 0 HD3 LYS A 25 8.488 3.991 -7.458 1.00 0.48 H new ATOM 0 HE2 LYS A 25 9.532 2.209 -9.106 1.00 0.52 H new ATOM 0 HE3 LYS A 25 10.082 1.432 -7.635 1.00 0.52 H new ATOM 0 HZ1 LYS A 25 7.955 0.561 -8.343 1.00 1.11 H new ATOM 0 HZ2 LYS A 25 7.787 1.354 -6.851 1.00 1.11 H new ATOM 0 HZ3 LYS A 25 7.255 2.106 -8.277 1.00 1.11 H new ATOM 393 N VAL A 26 12.943 4.577 -5.100 1.00 0.13 N ATOM 394 CA VAL A 26 14.266 3.988 -5.022 1.00 0.13 C ATOM 395 C VAL A 26 14.232 2.540 -5.494 1.00 0.13 C ATOM 396 O VAL A 26 13.502 1.706 -4.960 1.00 0.16 O ATOM 397 CB VAL A 26 14.893 4.107 -3.606 1.00 0.18 C ATOM 398 CG1 VAL A 26 14.295 3.133 -2.611 1.00 0.42 C ATOM 399 CG2 VAL A 26 16.402 3.942 -3.678 1.00 0.36 C ATOM 0 H VAL A 26 12.334 4.386 -4.305 1.00 0.13 H new ATOM 0 HA VAL A 26 14.913 4.558 -5.689 1.00 0.13 H new ATOM 0 HB VAL A 26 14.658 5.107 -3.241 1.00 0.18 H new ATOM 0 HG11 VAL A 26 14.774 3.264 -1.641 1.00 0.42 H new ATOM 0 HG12 VAL A 26 13.225 3.320 -2.516 1.00 0.42 H new ATOM 0 HG13 VAL A 26 14.455 2.113 -2.959 1.00 0.42 H new ATOM 0 HG21 VAL A 26 16.826 4.028 -2.677 1.00 0.36 H new ATOM 0 HG22 VAL A 26 16.642 2.962 -4.090 1.00 0.36 H new ATOM 0 HG23 VAL A 26 16.823 4.718 -4.318 1.00 0.36 H new ATOM 409 N ILE A 27 14.975 2.273 -6.548 1.00 0.12 N ATOM 410 CA ILE A 27 15.067 0.937 -7.106 1.00 0.14 C ATOM 411 C ILE A 27 16.331 0.253 -6.622 1.00 0.16 C ATOM 412 O ILE A 27 17.431 0.688 -6.944 1.00 0.21 O ATOM 413 CB ILE A 27 15.109 0.960 -8.644 1.00 0.17 C ATOM 414 CG1 ILE A 27 14.103 1.966 -9.212 1.00 0.19 C ATOM 415 CG2 ILE A 27 14.833 -0.432 -9.176 1.00 0.21 C ATOM 416 CD1 ILE A 27 12.663 1.624 -8.916 1.00 0.23 C ATOM 0 H ILE A 27 15.531 2.972 -7.041 1.00 0.12 H new ATOM 0 HA ILE A 27 14.179 0.397 -6.777 1.00 0.14 H new ATOM 0 HB ILE A 27 16.102 1.277 -8.962 1.00 0.17 H new ATOM 0 HG12 ILE A 27 14.323 2.953 -8.806 1.00 0.19 H new ATOM 0 HG13 ILE A 27 14.237 2.029 -10.292 1.00 0.19 H new ATOM 0 HG21 ILE A 27 14.862 -0.418 -10.266 1.00 0.21 H new ATOM 0 HG22 ILE A 27 15.590 -1.121 -8.802 1.00 0.21 H new ATOM 0 HG23 ILE A 27 13.848 -0.760 -8.844 1.00 0.21 H new ATOM 0 HD11 ILE A 27 12.012 2.383 -9.351 1.00 0.23 H new ATOM 0 HD12 ILE A 27 12.424 0.651 -9.346 1.00 0.23 H new ATOM 0 HD13 ILE A 27 12.511 1.591 -7.837 1.00 0.23 H new ATOM 428 N GLY A 28 16.184 -0.812 -5.860 1.00 0.20 N ATOM 429 CA GLY A 28 17.344 -1.527 -5.384 1.00 0.24 C ATOM 430 C GLY A 28 17.753 -2.638 -6.328 1.00 0.26 C ATOM 431 O GLY A 28 16.948 -3.095 -7.141 1.00 0.27 O ATOM 0 H GLY A 28 15.287 -1.195 -5.562 1.00 0.20 H new ATOM 0 HA2 GLY A 28 18.174 -0.831 -5.262 1.00 0.24 H new ATOM 0 HA3 GLY A 28 17.133 -1.947 -4.400 1.00 0.24 H new ATOM 435 N GLN A 29 19.000 -3.079 -6.224 1.00 0.28 N ATOM 436 CA GLN A 29 19.487 -4.199 -7.018 1.00 0.33 C ATOM 437 C GLN A 29 18.794 -5.487 -6.601 1.00 0.43 C ATOM 438 O GLN A 29 18.795 -6.476 -7.330 1.00 0.56 O ATOM 439 CB GLN A 29 20.995 -4.332 -6.853 1.00 0.34 C ATOM 440 CG GLN A 29 21.720 -3.043 -7.143 1.00 0.40 C ATOM 441 CD GLN A 29 23.220 -3.196 -7.163 1.00 0.34 C ATOM 442 OE1 GLN A 29 23.907 -2.148 -6.760 1.00 0.63 O flip ATOM 443 NE2 GLN A 29 23.755 -4.242 -7.523 1.00 0.21 N flip ATOM 0 H GLN A 29 19.695 -2.676 -5.595 1.00 0.28 H new ATOM 0 HA GLN A 29 19.260 -4.012 -8.068 1.00 0.33 H new ATOM 0 HB2 GLN A 29 21.220 -4.651 -5.835 1.00 0.34 H new ATOM 0 HB3 GLN A 29 21.364 -5.111 -7.520 1.00 0.34 H new ATOM 0 HG2 GLN A 29 21.388 -2.656 -8.106 1.00 0.40 H new ATOM 0 HG3 GLN A 29 21.447 -2.303 -6.391 1.00 0.40 H new ATOM 0 HE21 GLN A 29 23.182 -5.029 -7.828 1.00 0.21 H new ATOM 0 HE22 GLN A 29 24.772 -4.323 -7.517 1.00 0.21 H new ATOM 452 N ASP A 30 18.197 -5.451 -5.419 1.00 0.46 N ATOM 453 CA ASP A 30 17.415 -6.567 -4.913 1.00 0.58 C ATOM 454 C ASP A 30 15.993 -6.498 -5.448 1.00 0.50 C ATOM 455 O ASP A 30 15.133 -7.286 -5.055 1.00 0.55 O ATOM 456 CB ASP A 30 17.389 -6.542 -3.383 1.00 0.75 C ATOM 457 CG ASP A 30 18.776 -6.604 -2.776 1.00 1.50 C ATOM 458 OD1 ASP A 30 19.433 -5.549 -2.676 1.00 2.12 O ATOM 459 OD2 ASP A 30 19.209 -7.713 -2.391 1.00 1.88 O ATOM 0 H ASP A 30 18.241 -4.651 -4.787 1.00 0.46 H new ATOM 0 HA ASP A 30 17.878 -7.495 -5.248 1.00 0.58 H new ATOM 0 HB2 ASP A 30 16.889 -5.634 -3.047 1.00 0.75 H new ATOM 0 HB3 ASP A 30 16.799 -7.383 -3.019 1.00 0.75 H new ATOM 464 N SER A 31 15.755 -5.520 -6.328 1.00 0.44 N ATOM 465 CA SER A 31 14.454 -5.301 -6.956 1.00 0.45 C ATOM 466 C SER A 31 13.439 -4.735 -5.969 1.00 0.45 C ATOM 467 O SER A 31 12.286 -4.480 -6.319 1.00 0.54 O ATOM 468 CB SER A 31 13.944 -6.589 -7.594 1.00 0.53 C ATOM 469 OG SER A 31 14.882 -7.088 -8.537 1.00 1.48 O ATOM 0 H SER A 31 16.468 -4.854 -6.625 1.00 0.44 H new ATOM 0 HA SER A 31 14.585 -4.557 -7.742 1.00 0.45 H new ATOM 0 HB2 SER A 31 13.764 -7.337 -6.822 1.00 0.53 H new ATOM 0 HB3 SER A 31 12.989 -6.404 -8.086 1.00 0.53 H new ATOM 0 HG SER A 31 14.538 -7.915 -8.934 1.00 1.48 H new ATOM 475 N SER A 32 13.871 -4.547 -4.734 1.00 0.47 N ATOM 476 CA SER A 32 13.064 -3.853 -3.752 1.00 0.51 C ATOM 477 C SER A 32 12.973 -2.383 -4.140 1.00 0.41 C ATOM 478 O SER A 32 13.988 -1.751 -4.442 1.00 0.50 O ATOM 479 CB SER A 32 13.663 -4.010 -2.351 1.00 0.65 C ATOM 480 OG SER A 32 12.748 -3.601 -1.351 1.00 1.32 O ATOM 0 H SER A 32 14.777 -4.866 -4.390 1.00 0.47 H new ATOM 0 HA SER A 32 12.063 -4.285 -3.732 1.00 0.51 H new ATOM 0 HB2 SER A 32 13.942 -5.051 -2.187 1.00 0.65 H new ATOM 0 HB3 SER A 32 14.576 -3.419 -2.275 1.00 0.65 H new ATOM 0 HG SER A 32 13.227 -3.113 -0.649 1.00 1.32 H new ATOM 486 N GLU A 33 11.764 -1.851 -4.160 1.00 0.29 N ATOM 487 CA GLU A 33 11.548 -0.472 -4.560 1.00 0.25 C ATOM 488 C GLU A 33 10.829 0.264 -3.441 1.00 0.20 C ATOM 489 O GLU A 33 9.746 -0.141 -3.015 1.00 0.28 O ATOM 490 CB GLU A 33 10.726 -0.407 -5.844 1.00 0.36 C ATOM 491 CG GLU A 33 11.209 -1.348 -6.937 1.00 0.66 C ATOM 492 CD GLU A 33 10.161 -1.564 -8.005 1.00 1.18 C ATOM 493 OE1 GLU A 33 10.123 -0.774 -8.971 1.00 1.62 O ATOM 494 OE2 GLU A 33 9.394 -2.542 -7.909 1.00 1.70 O ATOM 0 H GLU A 33 10.915 -2.354 -3.903 1.00 0.29 H new ATOM 0 HA GLU A 33 12.512 0.000 -4.750 1.00 0.25 H new ATOM 0 HB2 GLU A 33 9.687 -0.641 -5.610 1.00 0.36 H new ATOM 0 HB3 GLU A 33 10.745 0.614 -6.224 1.00 0.36 H new ATOM 0 HG2 GLU A 33 12.112 -0.941 -7.393 1.00 0.66 H new ATOM 0 HG3 GLU A 33 11.479 -2.307 -6.496 1.00 0.66 H new ATOM 501 N ILE A 34 11.429 1.337 -2.958 1.00 0.18 N ATOM 502 CA ILE A 34 10.918 2.017 -1.782 1.00 0.18 C ATOM 503 C ILE A 34 10.488 3.438 -2.114 1.00 0.22 C ATOM 504 O ILE A 34 11.110 4.112 -2.936 1.00 0.29 O ATOM 505 CB ILE A 34 11.966 2.069 -0.639 1.00 0.29 C ATOM 506 CG1 ILE A 34 12.457 0.675 -0.253 1.00 0.73 C ATOM 507 CG2 ILE A 34 11.393 2.754 0.590 1.00 1.07 C ATOM 508 CD1 ILE A 34 13.505 0.090 -1.177 1.00 0.26 C ATOM 0 H ILE A 34 12.268 1.755 -3.360 1.00 0.18 H new ATOM 0 HA ILE A 34 10.057 1.440 -1.445 1.00 0.18 H new ATOM 0 HB ILE A 34 12.813 2.643 -1.015 1.00 0.29 H new ATOM 0 HG12 ILE A 34 12.866 0.716 0.757 1.00 0.73 H new ATOM 0 HG13 ILE A 34 11.602 -0.000 -0.223 1.00 0.73 H new ATOM 0 HG21 ILE A 34 12.146 2.778 1.377 1.00 1.07 H new ATOM 0 HG22 ILE A 34 11.101 3.773 0.336 1.00 1.07 H new ATOM 0 HG23 ILE A 34 10.520 2.203 0.940 1.00 1.07 H new ATOM 0 HD11 ILE A 34 13.791 -0.900 -0.822 1.00 0.26 H new ATOM 0 HD12 ILE A 34 13.098 0.010 -2.185 1.00 0.26 H new ATOM 0 HD13 ILE A 34 14.381 0.738 -1.190 1.00 0.26 H new ATOM 520 N HIS A 35 9.401 3.870 -1.494 1.00 0.24 N ATOM 521 CA HIS A 35 8.993 5.261 -1.552 1.00 0.28 C ATOM 522 C HIS A 35 9.798 6.042 -0.524 1.00 0.26 C ATOM 523 O HIS A 35 10.008 5.564 0.590 1.00 0.42 O ATOM 524 CB HIS A 35 7.495 5.415 -1.250 1.00 0.38 C ATOM 525 CG HIS A 35 6.590 4.669 -2.182 1.00 0.51 C ATOM 526 ND1 HIS A 35 5.270 4.401 -1.888 1.00 0.76 N ATOM 527 CD2 HIS A 35 6.809 4.156 -3.415 1.00 0.62 C ATOM 528 CE1 HIS A 35 4.721 3.755 -2.899 1.00 0.90 C ATOM 529 NE2 HIS A 35 5.634 3.594 -3.841 1.00 0.79 N ATOM 0 H HIS A 35 8.784 3.273 -0.943 1.00 0.24 H new ATOM 0 HA HIS A 35 9.175 5.641 -2.557 1.00 0.28 H new ATOM 0 HB2 HIS A 35 7.306 5.075 -0.232 1.00 0.38 H new ATOM 0 HB3 HIS A 35 7.238 6.474 -1.285 1.00 0.38 H new ATOM 0 HD2 HIS A 35 7.739 4.184 -3.963 1.00 0.62 H new ATOM 0 HE1 HIS A 35 3.697 3.415 -2.949 1.00 0.90 H new ATOM 0 HE2 HIS A 35 5.488 3.128 -4.737 1.00 0.79 H new ATOM 538 N PHE A 36 10.226 7.240 -0.872 1.00 0.28 N ATOM 539 CA PHE A 36 11.058 8.039 0.016 1.00 0.23 C ATOM 540 C PHE A 36 10.526 9.462 0.034 1.00 0.21 C ATOM 541 O PHE A 36 10.370 10.059 -1.017 1.00 0.27 O ATOM 542 CB PHE A 36 12.509 8.056 -0.479 1.00 0.34 C ATOM 543 CG PHE A 36 13.426 7.065 0.189 1.00 0.27 C ATOM 544 CD1 PHE A 36 13.334 5.704 -0.078 1.00 0.40 C ATOM 545 CD2 PHE A 36 14.398 7.502 1.078 1.00 0.42 C ATOM 546 CE1 PHE A 36 14.190 4.809 0.531 1.00 0.46 C ATOM 547 CE2 PHE A 36 15.254 6.607 1.685 1.00 0.46 C ATOM 548 CZ PHE A 36 15.152 5.263 1.410 1.00 0.40 C ATOM 0 H PHE A 36 10.012 7.685 -1.765 1.00 0.28 H new ATOM 0 HA PHE A 36 11.031 7.606 1.016 1.00 0.23 H new ATOM 0 HB2 PHE A 36 12.512 7.864 -1.552 1.00 0.34 H new ATOM 0 HB3 PHE A 36 12.914 9.057 -0.333 1.00 0.34 H new ATOM 0 HD1 PHE A 36 12.586 5.344 -0.768 1.00 0.40 H new ATOM 0 HD2 PHE A 36 14.485 8.556 1.297 1.00 0.42 H new ATOM 0 HE1 PHE A 36 14.107 3.753 0.320 1.00 0.46 H new ATOM 0 HE2 PHE A 36 16.004 6.961 2.376 1.00 0.46 H new ATOM 0 HZ PHE A 36 15.825 4.563 1.882 1.00 0.40 H new ATOM 558 N LYS A 37 10.247 10.014 1.202 1.00 0.20 N ATOM 559 CA LYS A 37 9.757 11.384 1.278 1.00 0.21 C ATOM 560 C LYS A 37 10.770 12.287 1.966 1.00 0.21 C ATOM 561 O LYS A 37 10.810 12.386 3.190 1.00 0.26 O ATOM 562 CB LYS A 37 8.396 11.436 1.977 1.00 0.27 C ATOM 563 CG LYS A 37 7.232 11.579 1.002 1.00 0.32 C ATOM 564 CD LYS A 37 7.009 13.035 0.608 1.00 0.37 C ATOM 565 CE LYS A 37 6.109 13.171 -0.610 1.00 0.36 C ATOM 566 NZ LYS A 37 5.440 14.501 -0.666 1.00 0.96 N ATOM 0 H LYS A 37 10.349 9.544 2.102 1.00 0.20 H new ATOM 0 HA LYS A 37 9.623 11.755 0.262 1.00 0.21 H new ATOM 0 HB2 LYS A 37 8.261 10.529 2.565 1.00 0.27 H new ATOM 0 HB3 LYS A 37 8.384 12.273 2.675 1.00 0.27 H new ATOM 0 HG2 LYS A 37 7.429 10.985 0.109 1.00 0.32 H new ATOM 0 HG3 LYS A 37 6.325 11.181 1.456 1.00 0.32 H new ATOM 0 HD2 LYS A 37 6.566 13.572 1.446 1.00 0.37 H new ATOM 0 HD3 LYS A 37 7.971 13.505 0.401 1.00 0.37 H new ATOM 0 HE2 LYS A 37 6.699 13.024 -1.515 1.00 0.36 H new ATOM 0 HE3 LYS A 37 5.353 12.386 -0.591 1.00 0.36 H new ATOM 0 HZ1 LYS A 37 4.646 14.462 -1.337 1.00 0.96 H new ATOM 0 HZ2 LYS A 37 5.083 14.750 0.279 1.00 0.96 H new ATOM 0 HZ3 LYS A 37 6.123 15.220 -0.979 1.00 0.96 H new ATOM 580 N VAL A 38 11.572 12.949 1.151 1.00 0.19 N ATOM 581 CA VAL A 38 12.617 13.837 1.628 1.00 0.20 C ATOM 582 C VAL A 38 12.298 15.257 1.192 1.00 0.19 C ATOM 583 O VAL A 38 11.520 15.465 0.267 1.00 0.20 O ATOM 584 CB VAL A 38 14.016 13.443 1.092 1.00 0.22 C ATOM 585 CG1 VAL A 38 14.263 11.951 1.251 1.00 0.28 C ATOM 586 CG2 VAL A 38 14.198 13.880 -0.358 1.00 0.21 C ATOM 0 H VAL A 38 11.516 12.885 0.135 1.00 0.19 H new ATOM 0 HA VAL A 38 12.647 13.759 2.715 1.00 0.20 H new ATOM 0 HB VAL A 38 14.759 13.970 1.690 1.00 0.22 H new ATOM 0 HG11 VAL A 38 15.252 11.703 0.866 1.00 0.28 H new ATOM 0 HG12 VAL A 38 14.206 11.683 2.306 1.00 0.28 H new ATOM 0 HG13 VAL A 38 13.508 11.396 0.695 1.00 0.28 H new ATOM 0 HG21 VAL A 38 15.190 13.589 -0.704 1.00 0.21 H new ATOM 0 HG22 VAL A 38 13.442 13.401 -0.980 1.00 0.21 H new ATOM 0 HG23 VAL A 38 14.093 14.963 -0.428 1.00 0.21 H new ATOM 596 N LYS A 39 12.851 16.231 1.875 1.00 0.21 N ATOM 597 CA LYS A 39 12.633 17.614 1.496 1.00 0.20 C ATOM 598 C LYS A 39 13.480 18.003 0.310 1.00 0.18 C ATOM 599 O LYS A 39 14.502 17.372 0.044 1.00 0.18 O ATOM 600 CB LYS A 39 12.896 18.564 2.645 1.00 0.24 C ATOM 601 CG LYS A 39 11.759 18.589 3.640 1.00 0.86 C ATOM 602 CD LYS A 39 10.495 19.142 3.000 1.00 1.47 C ATOM 603 CE LYS A 39 9.378 19.278 4.008 1.00 1.82 C ATOM 604 NZ LYS A 39 9.726 20.230 5.092 1.00 2.43 N ATOM 0 H LYS A 39 13.451 16.098 2.689 1.00 0.21 H new ATOM 0 HA LYS A 39 11.582 17.695 1.218 1.00 0.20 H new ATOM 0 HB2 LYS A 39 13.814 18.270 3.153 1.00 0.24 H new ATOM 0 HB3 LYS A 39 13.056 19.569 2.254 1.00 0.24 H new ATOM 0 HG2 LYS A 39 11.573 17.582 4.012 1.00 0.86 H new ATOM 0 HG3 LYS A 39 12.035 19.200 4.499 1.00 0.86 H new ATOM 0 HD2 LYS A 39 10.706 20.115 2.556 1.00 1.47 H new ATOM 0 HD3 LYS A 39 10.178 18.484 2.191 1.00 1.47 H new ATOM 0 HE2 LYS A 39 8.473 19.617 3.504 1.00 1.82 H new ATOM 0 HE3 LYS A 39 9.157 18.302 4.439 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 9.555 19.782 6.015 1.00 2.43 H new ATOM 0 HZ2 LYS A 39 10.729 20.493 5.015 1.00 2.43 H new ATOM 0 HZ3 LYS A 39 9.137 21.083 5.007 1.00 2.43 H new ATOM 618 N MET A 40 13.020 19.006 -0.418 1.00 0.18 N ATOM 619 CA MET A 40 13.712 19.506 -1.597 1.00 0.18 C ATOM 620 C MET A 40 15.220 19.553 -1.397 1.00 0.17 C ATOM 621 O MET A 40 15.983 19.086 -2.243 1.00 0.20 O ATOM 622 CB MET A 40 13.206 20.907 -1.941 1.00 0.23 C ATOM 623 CG MET A 40 11.820 20.924 -2.562 1.00 0.30 C ATOM 624 SD MET A 40 11.853 20.794 -4.367 1.00 0.36 S ATOM 625 CE MET A 40 12.743 19.257 -4.601 1.00 0.33 C ATOM 0 H MET A 40 12.152 19.500 -0.208 1.00 0.18 H new ATOM 0 HA MET A 40 13.501 18.817 -2.415 1.00 0.18 H new ATOM 0 HB2 MET A 40 13.195 21.512 -1.034 1.00 0.23 H new ATOM 0 HB3 MET A 40 13.908 21.378 -2.629 1.00 0.23 H new ATOM 0 HG2 MET A 40 11.235 20.100 -2.154 1.00 0.30 H new ATOM 0 HG3 MET A 40 11.312 21.846 -2.279 1.00 0.30 H new ATOM 0 HE1 MET A 40 12.626 18.922 -5.632 1.00 0.33 H new ATOM 0 HE2 MET A 40 13.801 19.413 -4.388 1.00 0.33 H new ATOM 0 HE3 MET A 40 12.345 18.500 -3.926 1.00 0.33 H new ATOM 635 N THR A 41 15.649 20.066 -0.265 1.00 0.17 N ATOM 636 CA THR A 41 17.060 20.301 -0.049 1.00 0.17 C ATOM 637 C THR A 41 17.626 19.307 0.963 1.00 0.18 C ATOM 638 O THR A 41 18.488 19.632 1.778 1.00 0.20 O ATOM 639 CB THR A 41 17.344 21.752 0.384 1.00 0.20 C ATOM 640 OG1 THR A 41 16.907 21.972 1.729 1.00 0.27 O ATOM 641 CG2 THR A 41 16.635 22.738 -0.532 1.00 0.25 C ATOM 0 H THR A 41 15.046 20.327 0.515 1.00 0.17 H new ATOM 0 HA THR A 41 17.565 20.147 -1.003 1.00 0.17 H new ATOM 0 HB THR A 41 18.421 21.910 0.320 1.00 0.20 H new ATOM 0 HG1 THR A 41 15.934 21.865 1.779 1.00 0.27 H new ATOM 0 HG21 THR A 41 16.850 23.756 -0.207 1.00 0.25 H new ATOM 0 HG22 THR A 41 16.986 22.602 -1.555 1.00 0.25 H new ATOM 0 HG23 THR A 41 15.560 22.564 -0.492 1.00 0.25 H new ATOM 649 N THR A 42 17.149 18.072 0.880 1.00 0.17 N ATOM 650 CA THR A 42 17.614 17.011 1.761 1.00 0.19 C ATOM 651 C THR A 42 18.812 16.298 1.133 1.00 0.15 C ATOM 652 O THR A 42 18.762 15.928 -0.040 1.00 0.15 O ATOM 653 CB THR A 42 16.490 15.973 1.983 1.00 0.24 C ATOM 654 OG1 THR A 42 15.700 16.312 3.134 1.00 0.39 O ATOM 655 CG2 THR A 42 17.065 14.568 2.114 1.00 0.18 C ATOM 0 H THR A 42 16.438 17.781 0.209 1.00 0.17 H new ATOM 0 HA THR A 42 17.901 17.457 2.713 1.00 0.19 H new ATOM 0 HB THR A 42 15.838 15.990 1.109 1.00 0.24 H new ATOM 0 HG1 THR A 42 15.219 15.517 3.446 1.00 0.39 H new ATOM 0 HG21 THR A 42 16.254 13.856 2.269 1.00 0.18 H new ATOM 0 HG22 THR A 42 17.605 14.310 1.203 1.00 0.18 H new ATOM 0 HG23 THR A 42 17.747 14.532 2.963 1.00 0.18 H new ATOM 663 N HIS A 43 19.879 16.094 1.919 1.00 0.15 N ATOM 664 CA HIS A 43 21.055 15.386 1.421 1.00 0.13 C ATOM 665 C HIS A 43 20.640 14.032 0.915 1.00 0.12 C ATOM 666 O HIS A 43 20.157 13.196 1.677 1.00 0.14 O ATOM 667 CB HIS A 43 22.122 15.216 2.504 1.00 0.16 C ATOM 668 CG HIS A 43 22.780 16.500 2.905 1.00 0.28 C ATOM 669 ND1 HIS A 43 23.210 16.761 4.185 1.00 1.06 N ATOM 670 CD2 HIS A 43 23.082 17.604 2.177 1.00 0.82 C ATOM 671 CE1 HIS A 43 23.752 17.966 4.229 1.00 0.93 C ATOM 672 NE2 HIS A 43 23.685 18.495 3.023 1.00 0.55 N ATOM 0 H HIS A 43 19.947 16.406 2.888 1.00 0.15 H new ATOM 0 HA HIS A 43 21.488 15.980 0.617 1.00 0.13 H new ATOM 0 HB2 HIS A 43 21.666 14.761 3.383 1.00 0.16 H new ATOM 0 HB3 HIS A 43 22.884 14.524 2.146 1.00 0.16 H new ATOM 0 HD2 HIS A 43 22.884 17.752 1.126 1.00 0.82 H new ATOM 0 HE1 HIS A 43 24.177 18.437 5.103 1.00 0.93 H new ATOM 0 HE2 HIS A 43 24.028 19.420 2.762 1.00 0.55 H new ATOM 681 N LEU A 44 20.821 13.808 -0.367 1.00 0.12 N ATOM 682 CA LEU A 44 20.369 12.582 -0.971 1.00 0.14 C ATOM 683 C LEU A 44 21.251 11.435 -0.548 1.00 0.16 C ATOM 684 O LEU A 44 20.938 10.280 -0.823 1.00 0.19 O ATOM 685 CB LEU A 44 20.360 12.703 -2.486 1.00 0.14 C ATOM 686 CG LEU A 44 19.031 12.402 -3.167 1.00 0.14 C ATOM 687 CD1 LEU A 44 17.869 12.816 -2.281 1.00 0.15 C ATOM 688 CD2 LEU A 44 18.946 13.113 -4.503 1.00 0.21 C ATOM 0 H LEU A 44 21.277 14.458 -1.007 1.00 0.12 H new ATOM 0 HA LEU A 44 19.351 12.388 -0.633 1.00 0.14 H new ATOM 0 HB2 LEU A 44 20.662 13.716 -2.753 1.00 0.14 H new ATOM 0 HB3 LEU A 44 21.115 12.028 -2.890 1.00 0.14 H new ATOM 0 HG LEU A 44 18.972 11.327 -3.338 1.00 0.14 H new ATOM 0 HD11 LEU A 44 16.929 12.593 -2.786 1.00 0.15 H new ATOM 0 HD12 LEU A 44 17.915 12.267 -1.340 1.00 0.15 H new ATOM 0 HD13 LEU A 44 17.928 13.886 -2.080 1.00 0.15 H new ATOM 0 HD21 LEU A 44 17.990 12.887 -4.975 1.00 0.21 H new ATOM 0 HD22 LEU A 44 19.029 14.189 -4.349 1.00 0.21 H new ATOM 0 HD23 LEU A 44 19.758 12.775 -5.147 1.00 0.21 H new ATOM 700 N LYS A 45 22.356 11.731 0.140 1.00 0.16 N ATOM 701 CA LYS A 45 23.170 10.700 0.725 1.00 0.17 C ATOM 702 C LYS A 45 22.378 9.996 1.793 1.00 0.16 C ATOM 703 O LYS A 45 22.464 8.787 1.948 1.00 0.16 O ATOM 704 CB LYS A 45 24.411 11.315 1.355 1.00 0.19 C ATOM 705 CG LYS A 45 25.341 10.301 1.972 1.00 0.28 C ATOM 706 CD LYS A 45 25.941 9.399 0.917 1.00 0.51 C ATOM 707 CE LYS A 45 26.754 8.307 1.567 1.00 0.43 C ATOM 708 NZ LYS A 45 28.065 8.118 0.890 1.00 1.13 N ATOM 0 H LYS A 45 22.695 12.680 0.297 1.00 0.16 H new ATOM 0 HA LYS A 45 23.469 9.994 -0.050 1.00 0.17 H new ATOM 0 HB2 LYS A 45 24.953 11.878 0.595 1.00 0.19 H new ATOM 0 HB3 LYS A 45 24.104 12.027 2.121 1.00 0.19 H new ATOM 0 HG2 LYS A 45 26.137 10.814 2.511 1.00 0.28 H new ATOM 0 HG3 LYS A 45 24.797 9.701 2.701 1.00 0.28 H new ATOM 0 HD2 LYS A 45 25.149 8.961 0.310 1.00 0.51 H new ATOM 0 HD3 LYS A 45 26.572 9.982 0.246 1.00 0.51 H new ATOM 0 HE2 LYS A 45 26.919 8.552 2.616 1.00 0.43 H new ATOM 0 HE3 LYS A 45 26.194 7.372 1.542 1.00 0.43 H new ATOM 0 HZ1 LYS A 45 28.054 7.226 0.356 1.00 1.13 H new ATOM 0 HZ2 LYS A 45 28.236 8.910 0.238 1.00 1.13 H new ATOM 0 HZ3 LYS A 45 28.822 8.086 1.602 1.00 1.13 H new ATOM 722 N LYS A 46 21.603 10.780 2.525 1.00 0.17 N ATOM 723 CA LYS A 46 20.769 10.262 3.587 1.00 0.17 C ATOM 724 C LYS A 46 19.804 9.250 3.001 1.00 0.15 C ATOM 725 O LYS A 46 19.578 8.186 3.570 1.00 0.16 O ATOM 726 CB LYS A 46 19.991 11.391 4.262 1.00 0.21 C ATOM 727 CG LYS A 46 20.842 12.578 4.685 1.00 0.73 C ATOM 728 CD LYS A 46 22.060 12.160 5.491 1.00 1.32 C ATOM 729 CE LYS A 46 21.677 11.436 6.773 1.00 1.72 C ATOM 730 NZ LYS A 46 22.875 10.928 7.490 1.00 2.63 N ATOM 0 H LYS A 46 21.537 11.790 2.397 1.00 0.17 H new ATOM 0 HA LYS A 46 21.399 9.787 4.339 1.00 0.17 H new ATOM 0 HB2 LYS A 46 19.217 11.740 3.579 1.00 0.21 H new ATOM 0 HB3 LYS A 46 19.485 10.992 5.141 1.00 0.21 H new ATOM 0 HG2 LYS A 46 21.166 13.123 3.799 1.00 0.73 H new ATOM 0 HG3 LYS A 46 20.236 13.264 5.277 1.00 0.73 H new ATOM 0 HD2 LYS A 46 22.691 11.511 4.883 1.00 1.32 H new ATOM 0 HD3 LYS A 46 22.652 13.042 5.736 1.00 1.32 H new ATOM 0 HE2 LYS A 46 21.123 12.113 7.423 1.00 1.72 H new ATOM 0 HE3 LYS A 46 21.013 10.605 6.538 1.00 1.72 H new ATOM 0 HZ1 LYS A 46 22.577 10.425 8.350 1.00 2.63 H new ATOM 0 HZ2 LYS A 46 23.399 10.276 6.872 1.00 2.63 H new ATOM 0 HZ3 LYS A 46 23.488 11.727 7.750 1.00 2.63 H new ATOM 744 N LEU A 47 19.243 9.600 1.849 1.00 0.15 N ATOM 745 CA LEU A 47 18.407 8.692 1.076 1.00 0.15 C ATOM 746 C LEU A 47 19.161 7.395 0.777 1.00 0.13 C ATOM 747 O LEU A 47 18.639 6.287 0.983 1.00 0.12 O ATOM 748 CB LEU A 47 17.971 9.394 -0.224 1.00 0.17 C ATOM 749 CG LEU A 47 17.251 8.518 -1.250 1.00 0.19 C ATOM 750 CD1 LEU A 47 16.049 9.253 -1.820 1.00 0.57 C ATOM 751 CD2 LEU A 47 18.201 8.137 -2.372 1.00 0.56 C ATOM 0 H LEU A 47 19.356 10.521 1.426 1.00 0.15 H new ATOM 0 HA LEU A 47 17.519 8.430 1.652 1.00 0.15 H new ATOM 0 HB2 LEU A 47 17.316 10.225 0.037 1.00 0.17 H new ATOM 0 HB3 LEU A 47 18.855 9.821 -0.697 1.00 0.17 H new ATOM 0 HG LEU A 47 16.907 7.612 -0.752 1.00 0.19 H new ATOM 0 HD11 LEU A 47 15.546 8.618 -2.549 1.00 0.57 H new ATOM 0 HD12 LEU A 47 15.357 9.499 -1.014 1.00 0.57 H new ATOM 0 HD13 LEU A 47 16.381 10.171 -2.306 1.00 0.57 H new ATOM 0 HD21 LEU A 47 17.677 7.513 -3.096 1.00 0.56 H new ATOM 0 HD22 LEU A 47 18.563 9.040 -2.865 1.00 0.56 H new ATOM 0 HD23 LEU A 47 19.046 7.584 -1.961 1.00 0.56 H new ATOM 763 N LYS A 48 20.413 7.548 0.346 1.00 0.13 N ATOM 764 CA LYS A 48 21.256 6.408 0.027 1.00 0.13 C ATOM 765 C LYS A 48 21.460 5.564 1.274 1.00 0.12 C ATOM 766 O LYS A 48 21.322 4.343 1.252 1.00 0.13 O ATOM 767 CB LYS A 48 22.631 6.858 -0.496 1.00 0.15 C ATOM 768 CG LYS A 48 22.581 7.899 -1.604 1.00 0.18 C ATOM 769 CD LYS A 48 23.976 8.232 -2.130 1.00 0.31 C ATOM 770 CE LYS A 48 24.711 6.985 -2.614 1.00 0.40 C ATOM 771 NZ LYS A 48 26.108 7.278 -3.045 1.00 0.57 N ATOM 0 H LYS A 48 20.862 8.454 0.211 1.00 0.13 H new ATOM 0 HA LYS A 48 20.758 5.829 -0.751 1.00 0.13 H new ATOM 0 HB2 LYS A 48 23.207 7.261 0.337 1.00 0.15 H new ATOM 0 HB3 LYS A 48 23.169 5.984 -0.862 1.00 0.15 H new ATOM 0 HG2 LYS A 48 21.962 7.530 -2.422 1.00 0.18 H new ATOM 0 HG3 LYS A 48 22.107 8.806 -1.230 1.00 0.18 H new ATOM 0 HD2 LYS A 48 23.895 8.947 -2.949 1.00 0.31 H new ATOM 0 HD3 LYS A 48 24.556 8.713 -1.343 1.00 0.31 H new ATOM 0 HE2 LYS A 48 24.728 6.244 -1.815 1.00 0.40 H new ATOM 0 HE3 LYS A 48 24.162 6.544 -3.446 1.00 0.40 H new ATOM 0 HZ1 LYS A 48 26.536 6.418 -3.443 1.00 0.57 H new ATOM 0 HZ2 LYS A 48 26.099 8.026 -3.767 1.00 0.57 H new ATOM 0 HZ3 LYS A 48 26.665 7.594 -2.226 1.00 0.57 H new ATOM 785 N GLU A 49 21.782 6.245 2.367 1.00 0.12 N ATOM 786 CA GLU A 49 22.076 5.595 3.628 1.00 0.13 C ATOM 787 C GLU A 49 20.843 4.907 4.189 1.00 0.13 C ATOM 788 O GLU A 49 20.949 3.810 4.705 1.00 0.13 O ATOM 789 CB GLU A 49 22.624 6.591 4.650 1.00 0.15 C ATOM 790 CG GLU A 49 23.880 7.312 4.193 1.00 0.20 C ATOM 791 CD GLU A 49 24.450 8.221 5.262 1.00 0.36 C ATOM 792 OE1 GLU A 49 23.732 9.129 5.721 1.00 0.86 O ATOM 793 OE2 GLU A 49 25.626 8.037 5.646 1.00 0.82 O ATOM 0 H GLU A 49 21.845 7.263 2.399 1.00 0.12 H new ATOM 0 HA GLU A 49 22.839 4.842 3.433 1.00 0.13 H new ATOM 0 HB2 GLU A 49 21.854 7.329 4.873 1.00 0.15 H new ATOM 0 HB3 GLU A 49 22.838 6.063 5.579 1.00 0.15 H new ATOM 0 HG2 GLU A 49 24.633 6.577 3.907 1.00 0.20 H new ATOM 0 HG3 GLU A 49 23.654 7.900 3.304 1.00 0.20 H new ATOM 800 N SER A 50 19.677 5.539 4.094 1.00 0.14 N ATOM 801 CA SER A 50 18.465 4.943 4.640 1.00 0.15 C ATOM 802 C SER A 50 18.251 3.552 4.034 1.00 0.13 C ATOM 803 O SER A 50 18.151 2.547 4.768 1.00 0.13 O ATOM 804 CB SER A 50 17.242 5.844 4.391 1.00 0.19 C ATOM 805 OG SER A 50 16.157 5.435 5.199 1.00 1.08 O ATOM 0 H SER A 50 19.547 6.449 3.651 1.00 0.14 H new ATOM 0 HA SER A 50 18.583 4.843 5.719 1.00 0.15 H new ATOM 0 HB2 SER A 50 17.496 6.881 4.609 1.00 0.19 H new ATOM 0 HB3 SER A 50 16.958 5.800 3.340 1.00 0.19 H new ATOM 0 HG SER A 50 15.352 5.349 4.647 1.00 1.08 H new ATOM 811 N TYR A 51 18.270 3.480 2.695 1.00 0.13 N ATOM 812 CA TYR A 51 18.145 2.198 1.997 1.00 0.13 C ATOM 813 C TYR A 51 19.277 1.263 2.407 1.00 0.12 C ATOM 814 O TYR A 51 19.043 0.162 2.906 1.00 0.13 O ATOM 815 CB TYR A 51 18.177 2.403 0.470 1.00 0.18 C ATOM 816 CG TYR A 51 18.207 1.112 -0.350 1.00 0.19 C ATOM 817 CD1 TYR A 51 19.378 0.363 -0.476 1.00 0.20 C ATOM 818 CD2 TYR A 51 17.070 0.652 -1.002 1.00 0.41 C ATOM 819 CE1 TYR A 51 19.412 -0.801 -1.220 1.00 0.20 C ATOM 820 CE2 TYR A 51 17.099 -0.513 -1.751 1.00 0.45 C ATOM 821 CZ TYR A 51 18.271 -1.234 -1.856 1.00 0.29 C ATOM 822 OH TYR A 51 18.296 -2.394 -2.600 1.00 0.33 O ATOM 0 H TYR A 51 18.370 4.288 2.081 1.00 0.13 H new ATOM 0 HA TYR A 51 17.189 1.753 2.274 1.00 0.13 H new ATOM 0 HB2 TYR A 51 17.302 2.983 0.177 1.00 0.18 H new ATOM 0 HB3 TYR A 51 19.054 2.999 0.216 1.00 0.18 H new ATOM 0 HD1 TYR A 51 20.277 0.700 0.019 1.00 0.20 H new ATOM 0 HD2 TYR A 51 16.149 1.211 -0.924 1.00 0.41 H new ATOM 0 HE1 TYR A 51 20.328 -1.367 -1.302 1.00 0.20 H new ATOM 0 HE2 TYR A 51 16.206 -0.856 -2.252 1.00 0.45 H new ATOM 0 HH TYR A 51 18.814 -3.077 -2.124 1.00 0.33 H new ATOM 832 N CYS A 52 20.502 1.742 2.223 1.00 0.12 N ATOM 833 CA CYS A 52 21.700 0.926 2.313 1.00 0.13 C ATOM 834 C CYS A 52 21.892 0.397 3.728 1.00 0.13 C ATOM 835 O CYS A 52 22.095 -0.795 3.947 1.00 0.17 O ATOM 836 CB CYS A 52 22.890 1.794 1.888 1.00 0.16 C ATOM 837 SG CYS A 52 24.419 0.903 1.554 1.00 0.46 S ATOM 0 H CYS A 52 20.690 2.720 2.005 1.00 0.12 H new ATOM 0 HA CYS A 52 21.614 0.059 1.658 1.00 0.13 H new ATOM 0 HB2 CYS A 52 22.611 2.350 0.993 1.00 0.16 H new ATOM 0 HB3 CYS A 52 23.081 2.527 2.672 1.00 0.16 H new ATOM 0 HG CYS A 52 24.241 0.096 0.550 1.00 0.46 H new ATOM 843 N GLN A 53 21.787 1.302 4.679 1.00 0.12 N ATOM 844 CA GLN A 53 22.000 0.995 6.081 1.00 0.14 C ATOM 845 C GLN A 53 21.032 -0.070 6.580 1.00 0.16 C ATOM 846 O GLN A 53 21.458 -1.092 7.113 1.00 0.19 O ATOM 847 CB GLN A 53 21.845 2.281 6.900 1.00 0.17 C ATOM 848 CG GLN A 53 21.925 2.106 8.414 1.00 0.22 C ATOM 849 CD GLN A 53 20.596 1.714 9.040 1.00 0.38 C ATOM 850 OE1 GLN A 53 19.505 2.178 8.449 1.00 0.68 O flip ATOM 851 NE2 GLN A 53 20.551 1.017 10.050 1.00 0.38 N flip ATOM 0 H GLN A 53 21.550 2.278 4.501 1.00 0.12 H new ATOM 0 HA GLN A 53 23.007 0.594 6.200 1.00 0.14 H new ATOM 0 HB2 GLN A 53 22.619 2.984 6.591 1.00 0.17 H new ATOM 0 HB3 GLN A 53 20.885 2.735 6.654 1.00 0.17 H new ATOM 0 HG2 GLN A 53 22.668 1.344 8.647 1.00 0.22 H new ATOM 0 HG3 GLN A 53 22.271 3.037 8.864 1.00 0.22 H new ATOM 0 HE21 GLN A 53 21.414 0.679 10.475 1.00 0.38 H new ATOM 0 HE22 GLN A 53 19.650 0.776 10.464 1.00 0.38 H new ATOM 860 N ARG A 54 19.729 0.148 6.391 1.00 0.17 N ATOM 861 CA ARG A 54 18.745 -0.760 6.980 1.00 0.21 C ATOM 862 C ARG A 54 18.787 -2.106 6.273 1.00 0.23 C ATOM 863 O ARG A 54 18.426 -3.139 6.837 1.00 0.30 O ATOM 864 CB ARG A 54 17.327 -0.172 6.905 1.00 0.22 C ATOM 865 CG ARG A 54 16.677 -0.296 5.543 1.00 0.25 C ATOM 866 CD ARG A 54 15.467 -1.230 5.588 1.00 0.53 C ATOM 867 NE ARG A 54 15.796 -2.570 6.089 1.00 0.93 N ATOM 868 CZ ARG A 54 14.946 -3.358 6.756 1.00 1.03 C ATOM 869 NH1 ARG A 54 13.707 -2.955 6.998 1.00 1.20 N ATOM 870 NH2 ARG A 54 15.335 -4.556 7.176 1.00 1.49 N ATOM 0 H ARG A 54 19.339 0.921 5.852 1.00 0.17 H new ATOM 0 HA ARG A 54 19.000 -0.896 8.031 1.00 0.21 H new ATOM 0 HB2 ARG A 54 16.699 -0.672 7.642 1.00 0.22 H new ATOM 0 HB3 ARG A 54 17.367 0.881 7.182 1.00 0.22 H new ATOM 0 HG2 ARG A 54 16.366 0.689 5.195 1.00 0.25 H new ATOM 0 HG3 ARG A 54 17.404 -0.673 4.824 1.00 0.25 H new ATOM 0 HD2 ARG A 54 14.698 -0.789 6.223 1.00 0.53 H new ATOM 0 HD3 ARG A 54 15.044 -1.316 4.587 1.00 0.53 H new ATOM 0 HE ARG A 54 16.737 -2.924 5.917 1.00 0.93 H new ATOM 0 HH11 ARG A 54 13.396 -2.039 6.675 1.00 1.20 H new ATOM 0 HH12 ARG A 54 13.064 -3.561 7.507 1.00 1.20 H new ATOM 0 HH21 ARG A 54 16.285 -4.878 6.990 1.00 1.49 H new ATOM 0 HH22 ARG A 54 14.684 -5.154 7.684 1.00 1.49 H new ATOM 884 N GLN A 55 19.220 -2.078 5.026 1.00 0.21 N ATOM 885 CA GLN A 55 19.219 -3.268 4.190 1.00 0.25 C ATOM 886 C GLN A 55 20.525 -4.055 4.330 1.00 0.24 C ATOM 887 O GLN A 55 20.750 -5.038 3.628 1.00 0.34 O ATOM 888 CB GLN A 55 18.969 -2.851 2.740 1.00 0.32 C ATOM 889 CG GLN A 55 18.293 -3.908 1.894 1.00 0.49 C ATOM 890 CD GLN A 55 17.400 -3.302 0.831 1.00 1.07 C ATOM 891 OE1 GLN A 55 16.775 -2.174 1.150 1.00 1.93 O flip ATOM 892 NE2 GLN A 55 17.250 -3.846 -0.259 1.00 1.10 N flip ATOM 0 H GLN A 55 19.579 -1.241 4.567 1.00 0.21 H new ATOM 0 HA GLN A 55 18.421 -3.935 4.516 1.00 0.25 H new ATOM 0 HB2 GLN A 55 18.355 -1.951 2.734 1.00 0.32 H new ATOM 0 HB3 GLN A 55 19.922 -2.590 2.280 1.00 0.32 H new ATOM 0 HG2 GLN A 55 19.051 -4.530 1.418 1.00 0.49 H new ATOM 0 HG3 GLN A 55 17.701 -4.561 2.535 1.00 0.49 H new ATOM 0 HE21 GLN A 55 17.746 -4.712 -0.469 1.00 1.10 H new ATOM 0 HE22 GLN A 55 16.629 -3.432 -0.954 1.00 1.10 H new ATOM 901 N GLY A 56 21.373 -3.619 5.259 1.00 0.21 N ATOM 902 CA GLY A 56 22.601 -4.337 5.551 1.00 0.23 C ATOM 903 C GLY A 56 23.635 -4.208 4.452 1.00 0.20 C ATOM 904 O GLY A 56 24.316 -5.175 4.111 1.00 0.24 O ATOM 0 H GLY A 56 21.230 -2.777 5.817 1.00 0.21 H new ATOM 0 HA2 GLY A 56 23.022 -3.963 6.484 1.00 0.23 H new ATOM 0 HA3 GLY A 56 22.372 -5.391 5.705 1.00 0.23 H new ATOM 908 N VAL A 57 23.747 -3.011 3.898 1.00 0.17 N ATOM 909 CA VAL A 57 24.677 -2.748 2.813 1.00 0.16 C ATOM 910 C VAL A 57 25.679 -1.682 3.255 1.00 0.14 C ATOM 911 O VAL A 57 25.318 -0.777 4.013 1.00 0.14 O ATOM 912 CB VAL A 57 23.926 -2.229 1.555 1.00 0.16 C ATOM 913 CG1 VAL A 57 24.714 -2.495 0.284 1.00 0.18 C ATOM 914 CG2 VAL A 57 22.527 -2.813 1.455 1.00 0.16 C ATOM 0 H VAL A 57 23.200 -2.200 4.186 1.00 0.17 H new ATOM 0 HA VAL A 57 25.188 -3.678 2.565 1.00 0.16 H new ATOM 0 HB VAL A 57 23.828 -1.149 1.668 1.00 0.16 H new ATOM 0 HG11 VAL A 57 24.158 -2.119 -0.574 1.00 0.18 H new ATOM 0 HG12 VAL A 57 25.678 -1.990 0.341 1.00 0.18 H new ATOM 0 HG13 VAL A 57 24.872 -3.568 0.172 1.00 0.18 H new ATOM 0 HG21 VAL A 57 22.034 -2.426 0.563 1.00 0.16 H new ATOM 0 HG22 VAL A 57 22.590 -3.899 1.393 1.00 0.16 H new ATOM 0 HG23 VAL A 57 21.952 -2.533 2.337 1.00 0.16 H new ATOM 924 N PRO A 58 26.950 -1.778 2.836 1.00 0.15 N ATOM 925 CA PRO A 58 27.921 -0.705 3.039 1.00 0.15 C ATOM 926 C PRO A 58 27.675 0.423 2.049 1.00 0.15 C ATOM 927 O PRO A 58 27.468 0.186 0.856 1.00 0.15 O ATOM 928 CB PRO A 58 29.259 -1.379 2.747 1.00 0.18 C ATOM 929 CG PRO A 58 28.925 -2.431 1.772 1.00 0.19 C ATOM 930 CD PRO A 58 27.557 -2.939 2.155 1.00 0.17 C ATOM 0 HA PRO A 58 27.870 -0.264 4.035 1.00 0.15 H new ATOM 0 HB2 PRO A 58 29.981 -0.672 2.339 1.00 0.18 H new ATOM 0 HB3 PRO A 58 29.700 -1.799 3.651 1.00 0.18 H new ATOM 0 HG2 PRO A 58 28.923 -2.035 0.757 1.00 0.19 H new ATOM 0 HG3 PRO A 58 29.661 -3.235 1.799 1.00 0.19 H new ATOM 0 HD2 PRO A 58 26.980 -3.242 1.281 1.00 0.17 H new ATOM 0 HD3 PRO A 58 27.618 -3.806 2.813 1.00 0.17 H new ATOM 938 N MET A 59 27.698 1.646 2.551 1.00 0.16 N ATOM 939 CA MET A 59 27.389 2.815 1.738 1.00 0.18 C ATOM 940 C MET A 59 28.331 2.919 0.542 1.00 0.20 C ATOM 941 O MET A 59 27.962 3.423 -0.512 1.00 0.25 O ATOM 942 CB MET A 59 27.481 4.089 2.587 1.00 0.19 C ATOM 943 CG MET A 59 26.347 5.072 2.354 1.00 0.19 C ATOM 944 SD MET A 59 26.087 5.440 0.613 1.00 0.22 S ATOM 945 CE MET A 59 24.612 4.489 0.343 1.00 0.16 C ATOM 0 H MET A 59 27.928 1.858 3.522 1.00 0.16 H new ATOM 0 HA MET A 59 26.372 2.705 1.363 1.00 0.18 H new ATOM 0 HB2 MET A 59 27.495 3.810 3.641 1.00 0.19 H new ATOM 0 HB3 MET A 59 28.428 4.586 2.376 1.00 0.19 H new ATOM 0 HG2 MET A 59 25.428 4.665 2.775 1.00 0.19 H new ATOM 0 HG3 MET A 59 26.560 5.998 2.888 1.00 0.19 H new ATOM 0 HE1 MET A 59 24.120 4.832 -0.567 1.00 0.16 H new ATOM 0 HE2 MET A 59 24.872 3.435 0.240 1.00 0.16 H new ATOM 0 HE3 MET A 59 23.938 4.615 1.190 1.00 0.16 H new ATOM 955 N ASN A 60 29.543 2.414 0.711 1.00 0.22 N ATOM 956 CA ASN A 60 30.575 2.554 -0.316 1.00 0.27 C ATOM 957 C ASN A 60 30.352 1.579 -1.461 1.00 0.23 C ATOM 958 O ASN A 60 31.025 1.641 -2.491 1.00 0.27 O ATOM 959 CB ASN A 60 31.963 2.327 0.290 1.00 0.35 C ATOM 960 CG ASN A 60 32.315 0.853 0.425 1.00 0.61 C ATOM 961 OD1 ASN A 60 31.988 0.210 1.422 1.00 1.10 O ATOM 962 ND2 ASN A 60 32.998 0.316 -0.575 1.00 0.71 N ATOM 0 H ASN A 60 29.840 1.905 1.544 1.00 0.22 H new ATOM 0 HA ASN A 60 30.513 3.568 -0.711 1.00 0.27 H new ATOM 0 HB2 ASN A 60 32.711 2.819 -0.332 1.00 0.35 H new ATOM 0 HB3 ASN A 60 32.007 2.797 1.272 1.00 0.35 H new ATOM 0 HD21 ASN A 60 33.272 -0.666 -0.536 1.00 0.71 H new ATOM 0 HD22 ASN A 60 33.249 0.884 -1.384 1.00 0.71 H new ATOM 969 N SER A 61 29.413 0.678 -1.276 1.00 0.19 N ATOM 970 CA SER A 61 29.195 -0.388 -2.226 1.00 0.19 C ATOM 971 C SER A 61 28.018 -0.074 -3.140 1.00 0.15 C ATOM 972 O SER A 61 27.824 -0.730 -4.160 1.00 0.16 O ATOM 973 CB SER A 61 28.949 -1.695 -1.471 1.00 0.23 C ATOM 974 OG SER A 61 27.644 -1.737 -0.917 1.00 0.57 O ATOM 0 H SER A 61 28.786 0.663 -0.472 1.00 0.19 H new ATOM 0 HA SER A 61 30.082 -0.490 -2.851 1.00 0.19 H new ATOM 0 HB2 SER A 61 29.086 -2.539 -2.148 1.00 0.23 H new ATOM 0 HB3 SER A 61 29.687 -1.802 -0.676 1.00 0.23 H new ATOM 0 HG SER A 61 27.460 -0.896 -0.449 1.00 0.57 H new ATOM 980 N LEU A 62 27.246 0.948 -2.792 1.00 0.15 N ATOM 981 CA LEU A 62 26.022 1.235 -3.517 1.00 0.15 C ATOM 982 C LEU A 62 25.908 2.706 -3.884 1.00 0.17 C ATOM 983 O LEU A 62 26.119 3.592 -3.061 1.00 0.23 O ATOM 984 CB LEU A 62 24.811 0.820 -2.690 1.00 0.17 C ATOM 985 CG LEU A 62 23.870 -0.186 -3.357 1.00 0.16 C ATOM 986 CD1 LEU A 62 24.642 -1.353 -3.951 1.00 0.18 C ATOM 987 CD2 LEU A 62 22.839 -0.679 -2.357 1.00 0.20 C ATOM 0 H LEU A 62 27.446 1.584 -2.020 1.00 0.15 H new ATOM 0 HA LEU A 62 26.052 0.660 -4.443 1.00 0.15 H new ATOM 0 HB2 LEU A 62 25.163 0.394 -1.751 1.00 0.17 H new ATOM 0 HB3 LEU A 62 24.240 1.714 -2.440 1.00 0.17 H new ATOM 0 HG LEU A 62 23.355 0.319 -4.174 1.00 0.16 H new ATOM 0 HD11 LEU A 62 23.946 -2.050 -4.417 1.00 0.18 H new ATOM 0 HD12 LEU A 62 25.342 -0.983 -4.700 1.00 0.18 H new ATOM 0 HD13 LEU A 62 25.193 -1.864 -3.162 1.00 0.18 H new ATOM 0 HD21 LEU A 62 22.175 -1.394 -2.842 1.00 0.20 H new ATOM 0 HD22 LEU A 62 23.345 -1.163 -1.521 1.00 0.20 H new ATOM 0 HD23 LEU A 62 22.256 0.165 -1.989 1.00 0.20 H new ATOM 999 N ARG A 63 25.530 2.938 -5.123 1.00 0.14 N ATOM 1000 CA ARG A 63 25.346 4.278 -5.648 1.00 0.15 C ATOM 1001 C ARG A 63 23.891 4.477 -6.016 1.00 0.14 C ATOM 1002 O ARG A 63 23.254 3.584 -6.577 1.00 0.16 O ATOM 1003 CB ARG A 63 26.241 4.516 -6.872 1.00 0.19 C ATOM 1004 CG ARG A 63 26.054 3.481 -7.965 1.00 0.25 C ATOM 1005 CD ARG A 63 27.287 3.342 -8.842 1.00 0.28 C ATOM 1006 NE ARG A 63 27.410 4.399 -9.848 1.00 0.89 N ATOM 1007 CZ ARG A 63 28.425 4.468 -10.709 1.00 1.03 C ATOM 1008 NH1 ARG A 63 29.397 3.563 -10.662 1.00 1.24 N ATOM 1009 NH2 ARG A 63 28.470 5.426 -11.627 1.00 1.70 N ATOM 0 H ARG A 63 25.340 2.199 -5.800 1.00 0.14 H new ATOM 0 HA ARG A 63 25.630 4.998 -4.881 1.00 0.15 H new ATOM 0 HB2 ARG A 63 26.032 5.505 -7.279 1.00 0.19 H new ATOM 0 HB3 ARG A 63 27.284 4.515 -6.556 1.00 0.19 H new ATOM 0 HG2 ARG A 63 25.821 2.517 -7.514 1.00 0.25 H new ATOM 0 HG3 ARG A 63 25.200 3.758 -8.583 1.00 0.25 H new ATOM 0 HD2 ARG A 63 28.175 3.348 -8.210 1.00 0.28 H new ATOM 0 HD3 ARG A 63 27.259 2.375 -9.344 1.00 0.28 H new ATOM 0 HE ARG A 63 26.685 5.116 -9.892 1.00 0.89 H new ATOM 0 HH11 ARG A 63 29.366 2.817 -9.968 1.00 1.24 H new ATOM 0 HH12 ARG A 63 30.174 3.615 -11.320 1.00 1.24 H new ATOM 0 HH21 ARG A 63 27.723 6.119 -11.678 1.00 1.70 H new ATOM 0 HH22 ARG A 63 29.252 5.469 -12.281 1.00 1.70 H new ATOM 1023 N PHE A 64 23.364 5.630 -5.667 1.00 0.12 N ATOM 1024 CA PHE A 64 21.990 5.965 -5.982 1.00 0.11 C ATOM 1025 C PHE A 64 21.992 7.039 -7.039 1.00 0.11 C ATOM 1026 O PHE A 64 22.774 7.987 -6.959 1.00 0.11 O ATOM 1027 CB PHE A 64 21.240 6.432 -4.731 1.00 0.11 C ATOM 1028 CG PHE A 64 21.045 5.359 -3.688 1.00 0.11 C ATOM 1029 CD1 PHE A 64 22.124 4.627 -3.225 1.00 0.14 C ATOM 1030 CD2 PHE A 64 19.784 5.078 -3.176 1.00 0.10 C ATOM 1031 CE1 PHE A 64 21.949 3.638 -2.276 1.00 0.15 C ATOM 1032 CE2 PHE A 64 19.607 4.093 -2.228 1.00 0.11 C ATOM 1033 CZ PHE A 64 20.675 3.391 -1.761 1.00 0.12 C ATOM 0 H PHE A 64 23.870 6.357 -5.161 1.00 0.12 H new ATOM 0 HA PHE A 64 21.473 5.081 -6.356 1.00 0.11 H new ATOM 0 HB2 PHE A 64 21.786 7.263 -4.283 1.00 0.11 H new ATOM 0 HB3 PHE A 64 20.264 6.815 -5.028 1.00 0.11 H new ATOM 0 HD1 PHE A 64 23.113 4.831 -3.609 1.00 0.14 H new ATOM 0 HD2 PHE A 64 18.930 5.639 -3.526 1.00 0.10 H new ATOM 0 HE1 PHE A 64 22.794 3.059 -1.934 1.00 0.15 H new ATOM 0 HE2 PHE A 64 18.617 3.878 -1.854 1.00 0.11 H new ATOM 0 HZ PHE A 64 20.537 2.644 -0.993 1.00 0.12 H new ATOM 1043 N LEU A 65 21.183 6.861 -8.065 1.00 0.11 N ATOM 1044 CA LEU A 65 21.219 7.769 -9.192 1.00 0.12 C ATOM 1045 C LEU A 65 19.833 8.238 -9.592 1.00 0.14 C ATOM 1046 O LEU A 65 18.861 7.510 -9.454 1.00 0.15 O ATOM 1047 CB LEU A 65 21.893 7.110 -10.399 1.00 0.13 C ATOM 1048 CG LEU A 65 23.299 6.558 -10.153 1.00 0.14 C ATOM 1049 CD1 LEU A 65 23.249 5.257 -9.389 1.00 0.12 C ATOM 1050 CD2 LEU A 65 24.044 6.366 -11.458 1.00 0.21 C ATOM 0 H LEU A 65 20.501 6.106 -8.141 1.00 0.11 H new ATOM 0 HA LEU A 65 21.797 8.637 -8.875 1.00 0.12 H new ATOM 0 HB2 LEU A 65 21.258 6.295 -10.747 1.00 0.13 H new ATOM 0 HB3 LEU A 65 21.945 7.840 -11.207 1.00 0.13 H new ATOM 0 HG LEU A 65 23.836 7.291 -9.551 1.00 0.14 H new ATOM 0 HD11 LEU A 65 24.263 4.890 -9.230 1.00 0.12 H new ATOM 0 HD12 LEU A 65 22.766 5.419 -8.425 1.00 0.12 H new ATOM 0 HD13 LEU A 65 22.682 4.521 -9.960 1.00 0.12 H new ATOM 0 HD21 LEU A 65 25.040 5.973 -11.254 1.00 0.21 H new ATOM 0 HD22 LEU A 65 23.499 5.663 -12.088 1.00 0.21 H new ATOM 0 HD23 LEU A 65 24.130 7.323 -11.972 1.00 0.21 H new ATOM 1062 N PHE A 66 19.778 9.432 -10.147 1.00 0.16 N ATOM 1063 CA PHE A 66 18.542 9.986 -10.677 1.00 0.23 C ATOM 1064 C PHE A 66 18.497 9.755 -12.182 1.00 0.28 C ATOM 1065 O PHE A 66 19.129 10.466 -12.958 1.00 0.31 O ATOM 1066 CB PHE A 66 18.436 11.487 -10.336 1.00 0.28 C ATOM 1067 CG PHE A 66 17.580 12.295 -11.278 1.00 0.80 C ATOM 1068 CD1 PHE A 66 16.252 11.953 -11.477 1.00 0.91 C ATOM 1069 CD2 PHE A 66 18.091 13.392 -11.957 1.00 1.33 C ATOM 1070 CE1 PHE A 66 15.451 12.683 -12.331 1.00 1.52 C ATOM 1071 CE2 PHE A 66 17.293 14.125 -12.815 1.00 1.95 C ATOM 1072 CZ PHE A 66 16.032 13.803 -13.031 1.00 2.03 C ATOM 0 H PHE A 66 20.586 10.047 -10.245 1.00 0.16 H new ATOM 0 HA PHE A 66 17.688 9.486 -10.220 1.00 0.23 H new ATOM 0 HB2 PHE A 66 18.035 11.588 -9.327 1.00 0.28 H new ATOM 0 HB3 PHE A 66 19.439 11.913 -10.324 1.00 0.28 H new ATOM 0 HD1 PHE A 66 15.838 11.102 -10.956 1.00 0.91 H new ATOM 0 HD2 PHE A 66 19.123 13.676 -11.814 1.00 1.33 H new ATOM 0 HE1 PHE A 66 14.413 12.422 -12.472 1.00 1.52 H new ATOM 0 HE2 PHE A 66 17.712 14.982 -13.321 1.00 1.95 H new ATOM 0 HZ PHE A 66 15.438 14.375 -13.728 1.00 2.03 H new ATOM 1082 N GLU A 67 17.773 8.704 -12.561 1.00 0.37 N ATOM 1083 CA GLU A 67 17.643 8.286 -13.956 1.00 0.46 C ATOM 1084 C GLU A 67 19.020 8.163 -14.622 1.00 0.40 C ATOM 1085 O GLU A 67 19.209 8.532 -15.784 1.00 0.46 O ATOM 1086 CB GLU A 67 16.746 9.274 -14.715 1.00 0.57 C ATOM 1087 CG GLU A 67 16.215 8.743 -16.037 1.00 1.22 C ATOM 1088 CD GLU A 67 15.466 7.434 -15.876 1.00 1.29 C ATOM 1089 OE1 GLU A 67 14.316 7.454 -15.397 1.00 1.63 O ATOM 1090 OE2 GLU A 67 16.021 6.377 -16.245 1.00 1.83 O ATOM 0 H GLU A 67 17.258 8.115 -11.907 1.00 0.37 H new ATOM 0 HA GLU A 67 17.177 7.301 -13.986 1.00 0.46 H new ATOM 0 HB2 GLU A 67 15.903 9.544 -14.079 1.00 0.57 H new ATOM 0 HB3 GLU A 67 17.309 10.188 -14.903 1.00 0.57 H new ATOM 0 HG2 GLU A 67 15.553 9.485 -16.484 1.00 1.22 H new ATOM 0 HG3 GLU A 67 17.046 8.600 -16.728 1.00 1.22 H new ATOM 1097 N GLY A 68 19.990 7.650 -13.867 1.00 0.36 N ATOM 1098 CA GLY A 68 21.326 7.463 -14.402 1.00 0.36 C ATOM 1099 C GLY A 68 22.286 8.570 -13.996 1.00 0.30 C ATOM 1100 O GLY A 68 23.423 8.610 -14.466 1.00 0.35 O ATOM 0 H GLY A 68 19.873 7.361 -12.896 1.00 0.36 H new ATOM 0 HA2 GLY A 68 21.718 6.505 -14.060 1.00 0.36 H new ATOM 0 HA3 GLY A 68 21.273 7.416 -15.490 1.00 0.36 H new ATOM 1104 N GLN A 69 21.838 9.464 -13.127 1.00 0.24 N ATOM 1105 CA GLN A 69 22.674 10.562 -12.656 1.00 0.23 C ATOM 1106 C GLN A 69 23.258 10.236 -11.287 1.00 0.19 C ATOM 1107 O GLN A 69 22.520 10.097 -10.315 1.00 0.18 O ATOM 1108 CB GLN A 69 21.858 11.863 -12.596 1.00 0.25 C ATOM 1109 CG GLN A 69 22.605 13.041 -12.004 1.00 0.26 C ATOM 1110 CD GLN A 69 22.045 13.414 -10.652 1.00 0.35 C ATOM 1111 OE1 GLN A 69 21.173 14.270 -10.541 1.00 0.83 O ATOM 1112 NE2 GLN A 69 22.524 12.748 -9.622 1.00 0.31 N ATOM 0 H GLN A 69 20.898 9.452 -12.732 1.00 0.24 H new ATOM 0 HA GLN A 69 23.497 10.699 -13.357 1.00 0.23 H new ATOM 0 HB2 GLN A 69 21.535 12.122 -13.604 1.00 0.25 H new ATOM 0 HB3 GLN A 69 20.957 11.686 -12.008 1.00 0.25 H new ATOM 0 HG2 GLN A 69 23.662 12.794 -11.908 1.00 0.26 H new ATOM 0 HG3 GLN A 69 22.537 13.895 -12.678 1.00 0.26 H new ATOM 0 HE21 GLN A 69 23.249 12.045 -9.762 1.00 0.31 H new ATOM 0 HE22 GLN A 69 22.170 12.935 -8.684 1.00 0.31 H new ATOM 1121 N ARG A 70 24.578 10.104 -11.219 1.00 0.21 N ATOM 1122 CA ARG A 70 25.273 9.831 -9.959 1.00 0.20 C ATOM 1123 C ARG A 70 24.896 10.860 -8.892 1.00 0.18 C ATOM 1124 O ARG A 70 25.239 12.034 -9.008 1.00 0.21 O ATOM 1125 CB ARG A 70 26.794 9.852 -10.186 1.00 0.26 C ATOM 1126 CG ARG A 70 27.620 9.819 -8.905 1.00 0.83 C ATOM 1127 CD ARG A 70 27.612 8.448 -8.247 1.00 0.50 C ATOM 1128 NE ARG A 70 28.306 8.466 -6.958 1.00 0.89 N ATOM 1129 CZ ARG A 70 29.467 7.848 -6.714 1.00 1.15 C ATOM 1130 NH1 ARG A 70 30.115 7.222 -7.689 1.00 1.52 N ATOM 1131 NH2 ARG A 70 29.993 7.884 -5.496 1.00 1.64 N ATOM 0 H ARG A 70 25.196 10.182 -12.027 1.00 0.21 H new ATOM 0 HA ARG A 70 24.970 8.844 -9.608 1.00 0.20 H new ATOM 0 HB2 ARG A 70 27.069 8.997 -10.804 1.00 0.26 H new ATOM 0 HB3 ARG A 70 27.053 10.749 -10.749 1.00 0.26 H new ATOM 0 HG2 ARG A 70 28.647 10.105 -9.131 1.00 0.83 H new ATOM 0 HG3 ARG A 70 27.230 10.558 -8.205 1.00 0.83 H new ATOM 0 HD2 ARG A 70 26.583 8.119 -8.103 1.00 0.50 H new ATOM 0 HD3 ARG A 70 28.089 7.724 -8.908 1.00 0.50 H new ATOM 0 HE ARG A 70 27.875 8.985 -6.194 1.00 0.89 H new ATOM 0 HH11 ARG A 70 29.728 7.210 -8.633 1.00 1.52 H new ATOM 0 HH12 ARG A 70 31.000 6.753 -7.494 1.00 1.52 H new ATOM 0 HH21 ARG A 70 29.512 8.382 -4.747 1.00 1.64 H new ATOM 0 HH22 ARG A 70 30.878 7.413 -5.309 1.00 1.64 H new ATOM 1145 N ILE A 71 24.161 10.424 -7.873 1.00 0.16 N ATOM 1146 CA ILE A 71 23.819 11.304 -6.761 1.00 0.14 C ATOM 1147 C ILE A 71 25.046 11.555 -5.898 1.00 0.16 C ATOM 1148 O ILE A 71 25.694 10.610 -5.433 1.00 0.17 O ATOM 1149 CB ILE A 71 22.678 10.718 -5.891 1.00 0.12 C ATOM 1150 CG1 ILE A 71 21.339 10.814 -6.623 1.00 0.13 C ATOM 1151 CG2 ILE A 71 22.594 11.422 -4.541 1.00 0.11 C ATOM 1152 CD1 ILE A 71 20.250 9.978 -5.986 1.00 0.15 C ATOM 0 H ILE A 71 23.794 9.476 -7.794 1.00 0.16 H new ATOM 0 HA ILE A 71 23.467 12.245 -7.184 1.00 0.14 H new ATOM 0 HB ILE A 71 22.905 9.667 -5.711 1.00 0.12 H new ATOM 0 HG12 ILE A 71 21.020 11.856 -6.649 1.00 0.13 H new ATOM 0 HG13 ILE A 71 21.474 10.497 -7.657 1.00 0.13 H new ATOM 0 HG21 ILE A 71 21.784 10.988 -3.954 1.00 0.11 H new ATOM 0 HG22 ILE A 71 23.536 11.298 -4.007 1.00 0.11 H new ATOM 0 HG23 ILE A 71 22.402 12.484 -4.696 1.00 0.11 H new ATOM 0 HD11 ILE A 71 19.326 10.090 -6.553 1.00 0.15 H new ATOM 0 HD12 ILE A 71 20.550 8.930 -5.985 1.00 0.15 H new ATOM 0 HD13 ILE A 71 20.089 10.311 -4.961 1.00 0.15 H new ATOM 1164 N ALA A 72 25.367 12.825 -5.701 1.00 0.19 N ATOM 1165 CA ALA A 72 26.479 13.198 -4.852 1.00 0.21 C ATOM 1166 C ALA A 72 26.013 13.285 -3.412 1.00 0.21 C ATOM 1167 O ALA A 72 24.856 13.630 -3.167 1.00 0.23 O ATOM 1168 CB ALA A 72 27.086 14.517 -5.298 1.00 0.23 C ATOM 0 H ALA A 72 24.871 13.612 -6.119 1.00 0.19 H new ATOM 0 HA ALA A 72 27.252 12.434 -4.932 1.00 0.21 H new ATOM 0 HB1 ALA A 72 27.919 14.774 -4.644 1.00 0.23 H new ATOM 0 HB2 ALA A 72 27.445 14.424 -6.323 1.00 0.23 H new ATOM 0 HB3 ALA A 72 26.330 15.301 -5.248 1.00 0.23 H new ATOM 1174 N ASP A 73 26.882 12.977 -2.474 1.00 0.28 N ATOM 1175 CA ASP A 73 26.471 12.801 -1.087 1.00 0.32 C ATOM 1176 C ASP A 73 25.771 14.050 -0.538 1.00 0.27 C ATOM 1177 O ASP A 73 24.734 13.955 0.124 1.00 0.32 O ATOM 1178 CB ASP A 73 27.696 12.473 -0.232 1.00 0.46 C ATOM 1179 CG ASP A 73 28.626 11.478 -0.909 1.00 1.53 C ATOM 1180 OD1 ASP A 73 29.495 11.910 -1.699 1.00 2.13 O ATOM 1181 OD2 ASP A 73 28.483 10.258 -0.679 1.00 2.03 O ATOM 0 H ASP A 73 27.879 12.842 -2.641 1.00 0.28 H new ATOM 0 HA ASP A 73 25.756 11.979 -1.047 1.00 0.32 H new ATOM 0 HB2 ASP A 73 28.244 13.391 -0.019 1.00 0.46 H new ATOM 0 HB3 ASP A 73 27.369 12.067 0.726 1.00 0.46 H new ATOM 1186 N ASN A 74 26.288 15.223 -0.873 1.00 0.27 N ATOM 1187 CA ASN A 74 25.704 16.465 -0.366 1.00 0.28 C ATOM 1188 C ASN A 74 24.721 17.077 -1.362 1.00 0.21 C ATOM 1189 O ASN A 74 24.339 18.235 -1.231 1.00 0.24 O ATOM 1190 CB ASN A 74 26.790 17.490 0.007 1.00 0.37 C ATOM 1191 CG ASN A 74 27.447 18.180 -1.185 1.00 0.55 C ATOM 1192 OD1 ASN A 74 27.641 17.464 -2.280 1.00 0.90 O flip ATOM 1193 ND2 ASN A 74 27.800 19.356 -1.105 1.00 0.44 N flip ATOM 0 H ASN A 74 27.097 15.345 -1.483 1.00 0.27 H new ATOM 0 HA ASN A 74 25.153 16.205 0.538 1.00 0.28 H new ATOM 0 HB2 ASN A 74 26.348 18.250 0.652 1.00 0.37 H new ATOM 0 HB3 ASN A 74 27.562 16.987 0.590 1.00 0.37 H new ATOM 0 HD21 ASN A 74 27.636 19.881 -0.246 1.00 0.44 H new ATOM 0 HD22 ASN A 74 28.257 19.806 -1.898 1.00 0.44 H new ATOM 1200 N HIS A 75 24.294 16.292 -2.343 1.00 0.15 N ATOM 1201 CA HIS A 75 23.359 16.775 -3.354 1.00 0.12 C ATOM 1202 C HIS A 75 21.941 16.366 -2.997 1.00 0.12 C ATOM 1203 O HIS A 75 21.738 15.343 -2.356 1.00 0.15 O ATOM 1204 CB HIS A 75 23.759 16.266 -4.735 1.00 0.12 C ATOM 1205 CG HIS A 75 24.734 17.182 -5.427 1.00 0.18 C ATOM 1206 ND1 HIS A 75 24.566 17.641 -6.717 1.00 1.12 N ATOM 1207 CD2 HIS A 75 25.895 17.726 -4.992 1.00 1.02 C ATOM 1208 CE1 HIS A 75 25.582 18.422 -7.042 1.00 0.85 C ATOM 1209 NE2 HIS A 75 26.400 18.488 -6.015 1.00 0.58 N ATOM 0 H HIS A 75 24.579 15.320 -2.461 1.00 0.15 H new ATOM 0 HA HIS A 75 23.395 17.864 -3.380 1.00 0.12 H new ATOM 0 HB2 HIS A 75 24.202 15.275 -4.639 1.00 0.12 H new ATOM 0 HB3 HIS A 75 22.867 16.158 -5.351 1.00 0.12 H new ATOM 0 HD2 HIS A 75 26.341 17.586 -4.019 1.00 1.02 H new ATOM 0 HE1 HIS A 75 25.717 18.921 -7.990 1.00 0.85 H new ATOM 0 HE2 HIS A 75 27.270 19.020 -5.984 1.00 0.58 H new ATOM 1218 N THR A 76 20.973 17.186 -3.383 1.00 0.12 N ATOM 1219 CA THR A 76 19.572 16.964 -3.028 1.00 0.12 C ATOM 1220 C THR A 76 18.702 17.062 -4.277 1.00 0.12 C ATOM 1221 O THR A 76 19.168 17.569 -5.297 1.00 0.14 O ATOM 1222 CB THR A 76 19.088 18.019 -2.008 1.00 0.14 C ATOM 1223 OG1 THR A 76 18.710 19.230 -2.678 1.00 0.16 O ATOM 1224 CG2 THR A 76 20.183 18.328 -0.999 1.00 0.14 C ATOM 0 H THR A 76 21.132 18.020 -3.948 1.00 0.12 H new ATOM 0 HA THR A 76 19.490 15.972 -2.585 1.00 0.12 H new ATOM 0 HB THR A 76 18.223 17.609 -1.487 1.00 0.14 H new ATOM 0 HG1 THR A 76 17.733 19.289 -2.721 1.00 0.16 H new ATOM 0 HG21 THR A 76 19.824 19.073 -0.289 1.00 0.14 H new ATOM 0 HG22 THR A 76 20.453 17.417 -0.464 1.00 0.14 H new ATOM 0 HG23 THR A 76 21.059 18.716 -1.520 1.00 0.14 H new ATOM 1232 N PRO A 77 17.437 16.608 -4.234 1.00 0.13 N ATOM 1233 CA PRO A 77 16.532 16.698 -5.384 1.00 0.16 C ATOM 1234 C PRO A 77 16.414 18.121 -5.929 1.00 0.16 C ATOM 1235 O PRO A 77 16.392 18.332 -7.143 1.00 0.18 O ATOM 1236 CB PRO A 77 15.183 16.219 -4.835 1.00 0.18 C ATOM 1237 CG PRO A 77 15.334 16.216 -3.350 1.00 0.26 C ATOM 1238 CD PRO A 77 16.787 15.959 -3.087 1.00 0.14 C ATOM 0 HA PRO A 77 16.895 16.103 -6.223 1.00 0.16 H new ATOM 0 HB2 PRO A 77 14.375 16.882 -5.146 1.00 0.18 H new ATOM 0 HB3 PRO A 77 14.939 15.224 -5.207 1.00 0.18 H new ATOM 0 HG2 PRO A 77 15.022 17.169 -2.923 1.00 0.26 H new ATOM 0 HG3 PRO A 77 14.712 15.445 -2.895 1.00 0.26 H new ATOM 0 HD2 PRO A 77 17.110 16.390 -2.140 1.00 0.14 H new ATOM 0 HD3 PRO A 77 17.009 14.893 -3.044 1.00 0.14 H new ATOM 1246 N LYS A 78 16.372 19.091 -5.018 1.00 0.17 N ATOM 1247 CA LYS A 78 16.276 20.504 -5.376 1.00 0.19 C ATOM 1248 C LYS A 78 17.431 20.891 -6.294 1.00 0.19 C ATOM 1249 O LYS A 78 17.242 21.563 -7.306 1.00 0.22 O ATOM 1250 CB LYS A 78 16.286 21.355 -4.090 1.00 0.22 C ATOM 1251 CG LYS A 78 16.095 22.856 -4.279 1.00 0.59 C ATOM 1252 CD LYS A 78 17.394 23.575 -4.629 1.00 0.48 C ATOM 1253 CE LYS A 78 18.483 23.304 -3.596 1.00 0.51 C ATOM 1254 NZ LYS A 78 19.706 24.115 -3.839 1.00 1.24 N ATOM 0 H LYS A 78 16.403 18.920 -4.013 1.00 0.17 H new ATOM 0 HA LYS A 78 15.344 20.686 -5.912 1.00 0.19 H new ATOM 0 HB2 LYS A 78 15.499 20.989 -3.430 1.00 0.22 H new ATOM 0 HB3 LYS A 78 17.234 21.191 -3.577 1.00 0.22 H new ATOM 0 HG2 LYS A 78 15.365 23.029 -5.069 1.00 0.59 H new ATOM 0 HG3 LYS A 78 15.683 23.284 -3.365 1.00 0.59 H new ATOM 0 HD2 LYS A 78 17.736 23.251 -5.612 1.00 0.48 H new ATOM 0 HD3 LYS A 78 17.211 24.648 -4.692 1.00 0.48 H new ATOM 0 HE2 LYS A 78 18.098 23.521 -2.600 1.00 0.51 H new ATOM 0 HE3 LYS A 78 18.742 22.245 -3.614 1.00 0.51 H new ATOM 0 HZ1 LYS A 78 20.532 23.625 -3.440 1.00 1.24 H new ATOM 0 HZ2 LYS A 78 19.840 24.243 -4.862 1.00 1.24 H new ATOM 0 HZ3 LYS A 78 19.602 25.045 -3.384 1.00 1.24 H new ATOM 1268 N GLU A 79 18.624 20.454 -5.925 1.00 0.16 N ATOM 1269 CA GLU A 79 19.830 20.769 -6.683 1.00 0.17 C ATOM 1270 C GLU A 79 19.867 20.002 -7.994 1.00 0.18 C ATOM 1271 O GLU A 79 20.230 20.539 -9.040 1.00 0.24 O ATOM 1272 CB GLU A 79 21.065 20.413 -5.868 1.00 0.18 C ATOM 1273 CG GLU A 79 20.880 20.612 -4.386 1.00 0.19 C ATOM 1274 CD GLU A 79 22.033 21.360 -3.761 1.00 0.46 C ATOM 1275 OE1 GLU A 79 23.099 20.751 -3.558 1.00 0.65 O ATOM 1276 OE2 GLU A 79 21.879 22.571 -3.492 1.00 0.71 O ATOM 0 H GLU A 79 18.786 19.876 -5.100 1.00 0.16 H new ATOM 0 HA GLU A 79 19.820 21.838 -6.898 1.00 0.17 H new ATOM 0 HB2 GLU A 79 21.329 19.373 -6.057 1.00 0.18 H new ATOM 0 HB3 GLU A 79 21.903 21.022 -6.207 1.00 0.18 H new ATOM 0 HG2 GLU A 79 19.955 21.160 -4.208 1.00 0.19 H new ATOM 0 HG3 GLU A 79 20.774 19.641 -3.902 1.00 0.19 H new ATOM 1283 N LEU A 80 19.497 18.734 -7.922 1.00 0.15 N ATOM 1284 CA LEU A 80 19.598 17.837 -9.070 1.00 0.17 C ATOM 1285 C LEU A 80 18.516 18.111 -10.112 1.00 0.20 C ATOM 1286 O LEU A 80 18.589 17.621 -11.237 1.00 0.28 O ATOM 1287 CB LEU A 80 19.524 16.384 -8.599 1.00 0.16 C ATOM 1288 CG LEU A 80 20.465 16.047 -7.440 1.00 0.13 C ATOM 1289 CD1 LEU A 80 20.512 14.561 -7.176 1.00 0.15 C ATOM 1290 CD2 LEU A 80 21.854 16.580 -7.702 1.00 0.13 C ATOM 0 H LEU A 80 19.122 18.298 -7.079 1.00 0.15 H new ATOM 0 HA LEU A 80 20.560 18.019 -9.549 1.00 0.17 H new ATOM 0 HB2 LEU A 80 18.500 16.165 -8.296 1.00 0.16 H new ATOM 0 HB3 LEU A 80 19.754 15.730 -9.440 1.00 0.16 H new ATOM 0 HG LEU A 80 20.069 16.532 -6.548 1.00 0.13 H new ATOM 0 HD11 LEU A 80 21.190 14.360 -6.347 1.00 0.15 H new ATOM 0 HD12 LEU A 80 19.513 14.205 -6.923 1.00 0.15 H new ATOM 0 HD13 LEU A 80 20.866 14.044 -8.068 1.00 0.15 H new ATOM 0 HD21 LEU A 80 22.504 16.328 -6.864 1.00 0.13 H new ATOM 0 HD22 LEU A 80 22.249 16.134 -8.615 1.00 0.13 H new ATOM 0 HD23 LEU A 80 21.813 17.663 -7.816 1.00 0.13 H new ATOM 1302 N GLY A 81 17.523 18.896 -9.733 1.00 0.21 N ATOM 1303 CA GLY A 81 16.469 19.253 -10.661 1.00 0.25 C ATOM 1304 C GLY A 81 15.364 18.222 -10.700 1.00 0.25 C ATOM 1305 O GLY A 81 14.684 18.063 -11.713 1.00 0.30 O ATOM 0 H GLY A 81 17.426 19.294 -8.799 1.00 0.21 H new ATOM 0 HA2 GLY A 81 16.051 20.219 -10.378 1.00 0.25 H new ATOM 0 HA3 GLY A 81 16.891 19.368 -11.659 1.00 0.25 H new ATOM 1309 N MET A 82 15.177 17.527 -9.592 1.00 0.22 N ATOM 1310 CA MET A 82 14.117 16.534 -9.482 1.00 0.26 C ATOM 1311 C MET A 82 12.973 17.107 -8.664 1.00 0.26 C ATOM 1312 O MET A 82 13.085 18.190 -8.091 1.00 0.31 O ATOM 1313 CB MET A 82 14.616 15.233 -8.835 1.00 0.36 C ATOM 1314 CG MET A 82 16.054 15.283 -8.358 1.00 0.42 C ATOM 1315 SD MET A 82 16.458 13.945 -7.215 1.00 1.25 S ATOM 1316 CE MET A 82 16.007 12.516 -8.189 1.00 1.17 C ATOM 0 H MET A 82 15.746 17.631 -8.752 1.00 0.22 H new ATOM 0 HA MET A 82 13.776 16.292 -10.489 1.00 0.26 H new ATOM 0 HB2 MET A 82 13.973 14.993 -7.988 1.00 0.36 H new ATOM 0 HB3 MET A 82 14.513 14.421 -9.554 1.00 0.36 H new ATOM 0 HG2 MET A 82 16.720 15.232 -9.219 1.00 0.42 H new ATOM 0 HG3 MET A 82 16.237 16.240 -7.869 1.00 0.42 H new ATOM 0 HE1 MET A 82 16.798 11.769 -8.127 1.00 1.17 H new ATOM 0 HE2 MET A 82 15.078 12.093 -7.806 1.00 1.17 H new ATOM 0 HE3 MET A 82 15.869 12.813 -9.229 1.00 1.17 H new ATOM 1326 N GLU A 83 11.884 16.370 -8.598 1.00 0.27 N ATOM 1327 CA GLU A 83 10.716 16.812 -7.860 1.00 0.31 C ATOM 1328 C GLU A 83 10.022 15.626 -7.218 1.00 0.24 C ATOM 1329 O GLU A 83 10.567 14.521 -7.201 1.00 0.25 O ATOM 1330 CB GLU A 83 9.751 17.586 -8.759 1.00 0.43 C ATOM 1331 CG GLU A 83 9.311 16.835 -10.003 1.00 1.32 C ATOM 1332 CD GLU A 83 8.340 17.642 -10.835 1.00 1.54 C ATOM 1333 OE1 GLU A 83 8.777 18.587 -11.521 1.00 2.04 O ATOM 1334 OE2 GLU A 83 7.134 17.319 -10.833 1.00 1.86 O ATOM 0 H GLU A 83 11.782 15.460 -9.047 1.00 0.27 H new ATOM 0 HA GLU A 83 11.047 17.490 -7.073 1.00 0.31 H new ATOM 0 HB2 GLU A 83 8.867 17.852 -8.179 1.00 0.43 H new ATOM 0 HB3 GLU A 83 10.226 18.519 -9.062 1.00 0.43 H new ATOM 0 HG2 GLU A 83 10.185 16.586 -10.605 1.00 1.32 H new ATOM 0 HG3 GLU A 83 8.845 15.893 -9.713 1.00 1.32 H new ATOM 1341 N GLU A 84 8.836 15.856 -6.672 1.00 0.22 N ATOM 1342 CA GLU A 84 8.081 14.790 -6.034 1.00 0.21 C ATOM 1343 C GLU A 84 7.881 13.600 -6.971 1.00 0.20 C ATOM 1344 O GLU A 84 7.536 13.752 -8.142 1.00 0.22 O ATOM 1345 CB GLU A 84 6.725 15.286 -5.523 1.00 0.23 C ATOM 1346 CG GLU A 84 5.980 14.225 -4.728 1.00 0.37 C ATOM 1347 CD GLU A 84 4.676 14.710 -4.146 1.00 0.75 C ATOM 1348 OE1 GLU A 84 4.702 15.343 -3.080 1.00 1.20 O ATOM 1349 OE2 GLU A 84 3.619 14.427 -4.734 1.00 1.30 O ATOM 0 H GLU A 84 8.379 16.768 -6.658 1.00 0.22 H new ATOM 0 HA GLU A 84 8.672 14.459 -5.180 1.00 0.21 H new ATOM 0 HB2 GLU A 84 6.876 16.166 -4.897 1.00 0.23 H new ATOM 0 HB3 GLU A 84 6.113 15.598 -6.369 1.00 0.23 H new ATOM 0 HG2 GLU A 84 5.784 13.370 -5.375 1.00 0.37 H new ATOM 0 HG3 GLU A 84 6.620 13.873 -3.919 1.00 0.37 H new ATOM 1356 N GLU A 85 8.151 12.431 -6.412 1.00 0.23 N ATOM 1357 CA GLU A 85 7.915 11.139 -7.045 1.00 0.25 C ATOM 1358 C GLU A 85 8.955 10.814 -8.116 1.00 0.23 C ATOM 1359 O GLU A 85 8.730 9.948 -8.961 1.00 0.26 O ATOM 1360 CB GLU A 85 6.489 11.056 -7.584 1.00 0.31 C ATOM 1361 CG GLU A 85 5.456 11.327 -6.506 1.00 0.66 C ATOM 1362 CD GLU A 85 4.065 10.891 -6.903 1.00 0.82 C ATOM 1363 OE1 GLU A 85 3.794 9.673 -6.853 1.00 1.39 O ATOM 1364 OE2 GLU A 85 3.235 11.757 -7.248 1.00 1.17 O ATOM 0 H GLU A 85 8.552 12.350 -5.478 1.00 0.23 H new ATOM 0 HA GLU A 85 8.028 10.373 -6.278 1.00 0.25 H new ATOM 0 HB2 GLU A 85 6.365 11.775 -8.393 1.00 0.31 H new ATOM 0 HB3 GLU A 85 6.319 10.066 -8.008 1.00 0.31 H new ATOM 0 HG2 GLU A 85 5.747 10.809 -5.592 1.00 0.66 H new ATOM 0 HG3 GLU A 85 5.446 12.393 -6.279 1.00 0.66 H new ATOM 1371 N ASP A 86 10.099 11.498 -8.068 1.00 0.19 N ATOM 1372 CA ASP A 86 11.165 11.254 -9.037 1.00 0.18 C ATOM 1373 C ASP A 86 11.826 9.904 -8.779 1.00 0.16 C ATOM 1374 O ASP A 86 11.681 9.336 -7.704 1.00 0.19 O ATOM 1375 CB ASP A 86 12.213 12.370 -9.017 1.00 0.21 C ATOM 1376 CG ASP A 86 12.351 13.007 -10.380 1.00 0.45 C ATOM 1377 OD1 ASP A 86 12.709 12.293 -11.336 1.00 0.79 O ATOM 1378 OD2 ASP A 86 12.084 14.223 -10.507 1.00 0.68 O ATOM 0 H ASP A 86 10.309 12.217 -7.376 1.00 0.19 H new ATOM 0 HA ASP A 86 10.710 11.241 -10.027 1.00 0.18 H new ATOM 0 HB2 ASP A 86 11.930 13.126 -8.285 1.00 0.21 H new ATOM 0 HB3 ASP A 86 13.175 11.965 -8.702 1.00 0.21 H new ATOM 1383 N VAL A 87 12.551 9.392 -9.760 1.00 0.16 N ATOM 1384 CA VAL A 87 13.044 8.022 -9.706 1.00 0.15 C ATOM 1385 C VAL A 87 14.559 7.953 -9.492 1.00 0.14 C ATOM 1386 O VAL A 87 15.335 8.663 -10.136 1.00 0.16 O ATOM 1387 CB VAL A 87 12.654 7.240 -10.986 1.00 0.19 C ATOM 1388 CG1 VAL A 87 13.214 7.912 -12.231 1.00 0.25 C ATOM 1389 CG2 VAL A 87 13.116 5.793 -10.906 1.00 0.23 C ATOM 0 H VAL A 87 12.812 9.903 -10.604 1.00 0.16 H new ATOM 0 HA VAL A 87 12.568 7.556 -8.843 1.00 0.15 H new ATOM 0 HB VAL A 87 11.566 7.246 -11.057 1.00 0.19 H new ATOM 0 HG11 VAL A 87 12.925 7.342 -13.114 1.00 0.25 H new ATOM 0 HG12 VAL A 87 12.818 8.925 -12.307 1.00 0.25 H new ATOM 0 HG13 VAL A 87 14.301 7.952 -12.165 1.00 0.25 H new ATOM 0 HG21 VAL A 87 12.829 5.268 -11.817 1.00 0.23 H new ATOM 0 HG22 VAL A 87 14.200 5.763 -10.796 1.00 0.23 H new ATOM 0 HG23 VAL A 87 12.651 5.309 -10.047 1.00 0.23 H new ATOM 1399 N ILE A 88 14.959 7.092 -8.568 1.00 0.12 N ATOM 1400 CA ILE A 88 16.356 6.873 -8.245 1.00 0.12 C ATOM 1401 C ILE A 88 16.684 5.380 -8.278 1.00 0.12 C ATOM 1402 O ILE A 88 16.012 4.576 -7.639 1.00 0.16 O ATOM 1403 CB ILE A 88 16.703 7.477 -6.864 1.00 0.13 C ATOM 1404 CG1 ILE A 88 16.734 9.006 -6.962 1.00 0.16 C ATOM 1405 CG2 ILE A 88 18.034 6.946 -6.350 1.00 0.14 C ATOM 1406 CD1 ILE A 88 16.739 9.704 -5.620 1.00 0.20 C ATOM 0 H ILE A 88 14.316 6.522 -8.018 1.00 0.12 H new ATOM 0 HA ILE A 88 16.964 7.377 -8.997 1.00 0.12 H new ATOM 0 HB ILE A 88 15.933 7.180 -6.152 1.00 0.13 H new ATOM 0 HG12 ILE A 88 17.620 9.307 -7.521 1.00 0.16 H new ATOM 0 HG13 ILE A 88 15.868 9.342 -7.532 1.00 0.16 H new ATOM 0 HG21 ILE A 88 18.251 7.388 -5.378 1.00 0.14 H new ATOM 0 HG22 ILE A 88 17.980 5.862 -6.251 1.00 0.14 H new ATOM 0 HG23 ILE A 88 18.826 7.207 -7.052 1.00 0.14 H new ATOM 0 HD11 ILE A 88 16.761 10.783 -5.771 1.00 0.20 H new ATOM 0 HD12 ILE A 88 15.840 9.434 -5.066 1.00 0.20 H new ATOM 0 HD13 ILE A 88 17.619 9.399 -5.054 1.00 0.20 H new ATOM 1418 N GLU A 89 17.713 5.016 -9.026 1.00 0.11 N ATOM 1419 CA GLU A 89 18.093 3.616 -9.179 1.00 0.11 C ATOM 1420 C GLU A 89 19.389 3.335 -8.444 1.00 0.11 C ATOM 1421 O GLU A 89 20.251 4.208 -8.330 1.00 0.13 O ATOM 1422 CB GLU A 89 18.248 3.252 -10.653 1.00 0.16 C ATOM 1423 CG GLU A 89 16.960 3.367 -11.445 1.00 0.26 C ATOM 1424 CD GLU A 89 17.090 2.799 -12.839 1.00 0.74 C ATOM 1425 OE1 GLU A 89 17.615 3.508 -13.726 1.00 0.94 O ATOM 1426 OE2 GLU A 89 16.681 1.642 -13.054 1.00 1.35 O ATOM 0 H GLU A 89 18.303 5.671 -9.539 1.00 0.11 H new ATOM 0 HA GLU A 89 17.299 3.005 -8.750 1.00 0.11 H new ATOM 0 HB2 GLU A 89 19.000 3.901 -11.102 1.00 0.16 H new ATOM 0 HB3 GLU A 89 18.622 2.231 -10.729 1.00 0.16 H new ATOM 0 HG2 GLU A 89 16.163 2.845 -10.916 1.00 0.26 H new ATOM 0 HG3 GLU A 89 16.668 4.415 -11.508 1.00 0.26 H new ATOM 1433 N VAL A 90 19.512 2.123 -7.936 1.00 0.10 N ATOM 1434 CA VAL A 90 20.682 1.714 -7.193 1.00 0.11 C ATOM 1435 C VAL A 90 21.612 0.871 -8.057 1.00 0.10 C ATOM 1436 O VAL A 90 21.175 -0.025 -8.775 1.00 0.12 O ATOM 1437 CB VAL A 90 20.273 0.927 -5.929 1.00 0.12 C ATOM 1438 CG1 VAL A 90 21.395 0.039 -5.440 1.00 0.12 C ATOM 1439 CG2 VAL A 90 19.847 1.874 -4.823 1.00 0.15 C ATOM 0 H VAL A 90 18.802 1.397 -8.029 1.00 0.10 H new ATOM 0 HA VAL A 90 21.218 2.614 -6.890 1.00 0.11 H new ATOM 0 HB VAL A 90 19.430 0.292 -6.201 1.00 0.12 H new ATOM 0 HG11 VAL A 90 21.071 -0.499 -4.549 1.00 0.12 H new ATOM 0 HG12 VAL A 90 21.660 -0.675 -6.220 1.00 0.12 H new ATOM 0 HG13 VAL A 90 22.264 0.651 -5.198 1.00 0.12 H new ATOM 0 HG21 VAL A 90 19.563 1.299 -3.941 1.00 0.15 H new ATOM 0 HG22 VAL A 90 20.675 2.537 -4.573 1.00 0.15 H new ATOM 0 HG23 VAL A 90 18.996 2.467 -5.159 1.00 0.15 H new ATOM 1449 N TYR A 91 22.890 1.177 -7.965 1.00 0.12 N ATOM 1450 CA TYR A 91 23.934 0.440 -8.661 1.00 0.14 C ATOM 1451 C TYR A 91 25.100 0.245 -7.704 1.00 0.14 C ATOM 1452 O TYR A 91 25.058 0.727 -6.577 1.00 0.20 O ATOM 1453 CB TYR A 91 24.399 1.182 -9.918 1.00 0.17 C ATOM 1454 CG TYR A 91 23.345 1.317 -10.992 1.00 0.19 C ATOM 1455 CD1 TYR A 91 23.060 0.259 -11.837 1.00 0.43 C ATOM 1456 CD2 TYR A 91 22.630 2.496 -11.154 1.00 0.26 C ATOM 1457 CE1 TYR A 91 22.096 0.358 -12.815 1.00 0.49 C ATOM 1458 CE2 TYR A 91 21.662 2.610 -12.132 1.00 0.25 C ATOM 1459 CZ TYR A 91 21.419 1.597 -12.974 1.00 0.30 C ATOM 1460 OH TYR A 91 20.431 1.644 -13.933 1.00 0.36 O ATOM 0 H TYR A 91 23.240 1.951 -7.401 1.00 0.12 H new ATOM 0 HA TYR A 91 23.540 -0.524 -8.982 1.00 0.14 H new ATOM 0 HB2 TYR A 91 24.738 2.178 -9.632 1.00 0.17 H new ATOM 0 HB3 TYR A 91 25.260 0.660 -10.335 1.00 0.17 H new ATOM 0 HD1 TYR A 91 23.606 -0.666 -11.727 1.00 0.43 H new ATOM 0 HD2 TYR A 91 22.834 3.336 -10.506 1.00 0.26 H new ATOM 0 HE1 TYR A 91 21.860 -0.486 -13.446 1.00 0.49 H new ATOM 0 HE2 TYR A 91 21.095 3.525 -12.219 1.00 0.25 H new ATOM 0 HH TYR A 91 20.036 2.541 -13.952 1.00 0.36 H new ATOM 1470 N GLN A 92 26.111 -0.490 -8.123 1.00 0.19 N ATOM 1471 CA GLN A 92 27.247 -0.779 -7.257 1.00 0.21 C ATOM 1472 C GLN A 92 28.344 0.275 -7.413 1.00 0.23 C ATOM 1473 O GLN A 92 28.906 0.449 -8.496 1.00 0.26 O ATOM 1474 CB GLN A 92 27.803 -2.168 -7.578 1.00 0.27 C ATOM 1475 CG GLN A 92 28.148 -2.971 -6.341 1.00 0.24 C ATOM 1476 CD GLN A 92 27.230 -4.159 -6.138 1.00 0.36 C ATOM 1477 OE1 GLN A 92 26.142 -3.945 -5.414 1.00 0.37 O flip ATOM 1478 NE2 GLN A 92 27.496 -5.257 -6.619 1.00 0.68 N flip ATOM 0 H GLN A 92 26.173 -0.899 -9.055 1.00 0.19 H new ATOM 0 HA GLN A 92 26.903 -0.756 -6.223 1.00 0.21 H new ATOM 0 HB2 GLN A 92 27.070 -2.718 -8.168 1.00 0.27 H new ATOM 0 HB3 GLN A 92 28.695 -2.062 -8.195 1.00 0.27 H new ATOM 0 HG2 GLN A 92 29.177 -3.322 -6.416 1.00 0.24 H new ATOM 0 HG3 GLN A 92 28.095 -2.323 -5.466 1.00 0.24 H new ATOM 0 HE21 GLN A 92 28.345 -5.380 -7.171 1.00 0.68 H new ATOM 0 HE22 GLN A 92 26.868 -6.046 -6.467 1.00 0.68 H new ATOM 1487 N GLU A 93 28.640 0.980 -6.320 1.00 0.25 N ATOM 1488 CA GLU A 93 29.665 2.007 -6.303 1.00 0.28 C ATOM 1489 C GLU A 93 31.057 1.389 -6.354 1.00 0.32 C ATOM 1490 O GLU A 93 31.838 1.666 -7.260 1.00 0.35 O ATOM 1491 CB GLU A 93 29.504 2.832 -5.029 1.00 0.29 C ATOM 1492 CG GLU A 93 29.453 4.309 -5.305 1.00 0.42 C ATOM 1493 CD GLU A 93 28.947 5.138 -4.139 1.00 1.03 C ATOM 1494 OE1 GLU A 93 29.654 5.231 -3.115 1.00 1.25 O ATOM 1495 OE2 GLU A 93 27.842 5.725 -4.255 1.00 1.79 O ATOM 0 H GLU A 93 28.171 0.849 -5.424 1.00 0.25 H new ATOM 0 HA GLU A 93 29.552 2.644 -7.181 1.00 0.28 H new ATOM 0 HB2 GLU A 93 28.591 2.529 -4.516 1.00 0.29 H new ATOM 0 HB3 GLU A 93 30.334 2.620 -4.355 1.00 0.29 H new ATOM 0 HG2 GLU A 93 30.452 4.652 -5.575 1.00 0.42 H new ATOM 0 HG3 GLU A 93 28.811 4.485 -6.168 1.00 0.42 H new ATOM 1502 N GLN A 94 31.361 0.566 -5.365 1.00 0.40 N ATOM 1503 CA GLN A 94 32.581 -0.217 -5.359 1.00 0.44 C ATOM 1504 C GLN A 94 32.237 -1.694 -5.289 1.00 0.42 C ATOM 1505 O GLN A 94 31.076 -2.063 -5.461 1.00 0.48 O ATOM 1506 CB GLN A 94 33.447 0.184 -4.170 1.00 0.49 C ATOM 1507 CG GLN A 94 33.809 1.659 -4.154 1.00 0.82 C ATOM 1508 CD GLN A 94 34.924 2.020 -5.124 1.00 1.24 C ATOM 1509 OE1 GLN A 94 34.992 1.330 -6.251 1.00 1.90 O flip ATOM 1510 NE2 GLN A 94 35.715 2.928 -4.867 1.00 1.95 N flip ATOM 0 H GLN A 94 30.770 0.423 -4.546 1.00 0.40 H new ATOM 0 HA GLN A 94 33.139 -0.028 -6.276 1.00 0.44 H new ATOM 0 HB2 GLN A 94 32.921 -0.063 -3.248 1.00 0.49 H new ATOM 0 HB3 GLN A 94 34.363 -0.407 -4.182 1.00 0.49 H new ATOM 0 HG2 GLN A 94 32.923 2.245 -4.397 1.00 0.82 H new ATOM 0 HG3 GLN A 94 34.111 1.940 -3.145 1.00 0.82 H new ATOM 0 HE21 GLN A 94 35.635 3.441 -3.989 1.00 1.95 H new ATOM 0 HE22 GLN A 94 36.450 3.168 -5.532 1.00 1.95 H new ATOM 1519 N THR A 95 33.233 -2.535 -5.055 1.00 0.44 N ATOM 1520 CA THR A 95 32.997 -3.957 -4.879 1.00 0.52 C ATOM 1521 C THR A 95 32.022 -4.193 -3.716 1.00 0.47 C ATOM 1522 O THR A 95 31.959 -3.400 -2.766 1.00 0.57 O ATOM 1523 CB THR A 95 34.327 -4.710 -4.642 1.00 0.72 C ATOM 1524 OG1 THR A 95 34.123 -6.127 -4.717 1.00 1.17 O ATOM 1525 CG2 THR A 95 34.936 -4.354 -3.292 1.00 0.80 C ATOM 0 H THR A 95 34.211 -2.256 -4.983 1.00 0.44 H new ATOM 0 HA THR A 95 32.549 -4.349 -5.792 1.00 0.52 H new ATOM 0 HB THR A 95 35.020 -4.402 -5.425 1.00 0.72 H new ATOM 0 HG1 THR A 95 34.974 -6.588 -4.567 1.00 1.17 H new ATOM 0 HG21 THR A 95 35.869 -4.901 -3.158 1.00 0.80 H new ATOM 0 HG22 THR A 95 35.134 -3.283 -3.253 1.00 0.80 H new ATOM 0 HG23 THR A 95 34.241 -4.623 -2.497 1.00 0.80 H new ATOM 1533 N GLY A 96 31.253 -5.268 -3.811 1.00 0.59 N ATOM 1534 CA GLY A 96 30.216 -5.534 -2.836 1.00 0.65 C ATOM 1535 C GLY A 96 30.755 -6.109 -1.546 1.00 0.72 C ATOM 1536 O GLY A 96 31.968 -6.260 -1.375 1.00 0.99 O ATOM 0 H GLY A 96 31.330 -5.965 -4.552 1.00 0.59 H new ATOM 0 HA2 GLY A 96 29.681 -4.609 -2.620 1.00 0.65 H new ATOM 0 HA3 GLY A 96 29.492 -6.228 -3.263 1.00 0.65 H new ATOM 1540 N GLY A 97 29.849 -6.447 -0.647 1.00 0.82 N ATOM 1541 CA GLY A 97 30.236 -6.961 0.642 1.00 1.11 C ATOM 1542 C GLY A 97 29.575 -8.289 0.922 1.00 1.32 C ATOM 1543 O GLY A 97 30.174 -9.122 1.630 1.00 1.74 O ATOM 1544 OXT GLY A 97 28.451 -8.505 0.421 1.00 1.79 O ATOM 0 H GLY A 97 28.842 -6.373 -0.791 1.00 0.82 H new ATOM 0 HA2 GLY A 97 31.319 -7.076 0.680 1.00 1.11 H new ATOM 0 HA3 GLY A 97 29.964 -6.246 1.418 1.00 1.11 H new TER 1548 GLY A 97 ATOM 1549 N LYS B 721 15.858 -35.311 -0.601 1.00 23.34 N ATOM 1550 CA LYS B 721 16.958 -34.859 -1.479 1.00 23.33 C ATOM 1551 C LYS B 721 16.769 -33.416 -1.896 1.00 22.27 C ATOM 1552 O LYS B 721 17.711 -32.747 -2.325 1.00 22.01 O ATOM 1553 CB LYS B 721 17.053 -35.751 -2.712 1.00 23.86 C ATOM 1554 CG LYS B 721 17.614 -37.125 -2.403 1.00 24.92 C ATOM 1555 CD LYS B 721 17.859 -37.924 -3.673 1.00 25.37 C ATOM 1556 CE LYS B 721 16.559 -38.248 -4.392 1.00 26.01 C ATOM 1557 NZ LYS B 721 16.801 -38.868 -5.722 1.00 26.46 N ATOM 0 HA LYS B 721 17.887 -34.931 -0.914 1.00 23.33 H new ATOM 0 HB2 LYS B 721 16.062 -35.859 -3.153 1.00 23.86 H new ATOM 0 HB3 LYS B 721 17.683 -35.266 -3.458 1.00 23.86 H new ATOM 0 HG2 LYS B 721 18.548 -37.022 -1.850 1.00 24.92 H new ATOM 0 HG3 LYS B 721 16.921 -37.666 -1.759 1.00 24.92 H new ATOM 0 HD2 LYS B 721 18.512 -37.359 -4.338 1.00 25.37 H new ATOM 0 HD3 LYS B 721 18.379 -38.850 -3.426 1.00 25.37 H new ATOM 0 HE2 LYS B 721 15.964 -38.925 -3.779 1.00 26.01 H new ATOM 0 HE3 LYS B 721 15.976 -37.335 -4.517 1.00 26.01 H new ATOM 0 HZ1 LYS B 721 15.890 -39.074 -6.180 1.00 26.46 H new ATOM 0 HZ2 LYS B 721 17.347 -38.212 -6.316 1.00 26.46 H new ATOM 0 HZ3 LYS B 721 17.335 -39.752 -5.601 1.00 26.46 H new ATOM 1571 N THR B 722 15.551 -32.936 -1.764 1.00 21.74 N ATOM 1572 CA THR B 722 15.237 -31.564 -2.093 1.00 20.74 C ATOM 1573 C THR B 722 15.348 -30.692 -0.849 1.00 19.93 C ATOM 1574 O THR B 722 14.761 -30.995 0.192 1.00 20.05 O ATOM 1575 CB THR B 722 13.820 -31.452 -2.693 1.00 20.58 C ATOM 1576 OG1 THR B 722 12.872 -32.110 -1.839 1.00 20.45 O ATOM 1577 CG2 THR B 722 13.774 -32.068 -4.083 1.00 21.21 C ATOM 0 H THR B 722 14.757 -33.481 -1.428 1.00 21.74 H new ATOM 0 HA THR B 722 15.952 -31.218 -2.839 1.00 20.74 H new ATOM 0 HB THR B 722 13.563 -30.396 -2.772 1.00 20.58 H new ATOM 0 HG1 THR B 722 13.170 -32.045 -0.908 1.00 20.45 H new ATOM 0 HG21 THR B 722 12.766 -31.978 -4.488 1.00 21.21 H new ATOM 0 HG22 THR B 722 14.475 -31.547 -4.735 1.00 21.21 H new ATOM 0 HG23 THR B 722 14.049 -33.121 -4.024 1.00 21.21 H new ATOM 1585 N SER B 723 16.123 -29.629 -0.947 1.00 19.19 N ATOM 1586 CA SER B 723 16.302 -28.718 0.163 1.00 18.40 C ATOM 1587 C SER B 723 15.195 -27.679 0.152 1.00 17.37 C ATOM 1588 O SER B 723 14.746 -27.253 -0.913 1.00 17.20 O ATOM 1589 CB SER B 723 17.668 -28.036 0.065 1.00 18.37 C ATOM 1590 OG SER B 723 17.955 -27.280 1.230 1.00 18.76 O ATOM 0 H SER B 723 16.640 -29.376 -1.789 1.00 19.19 H new ATOM 0 HA SER B 723 16.257 -29.276 1.098 1.00 18.40 H new ATOM 0 HB2 SER B 723 18.442 -28.789 -0.082 1.00 18.37 H new ATOM 0 HB3 SER B 723 17.689 -27.384 -0.808 1.00 18.37 H new ATOM 0 HG SER B 723 18.835 -26.858 1.138 1.00 18.76 H new ATOM 1596 N VAL B 724 14.741 -27.286 1.326 1.00 16.76 N ATOM 1597 CA VAL B 724 13.742 -26.244 1.431 1.00 15.78 C ATOM 1598 C VAL B 724 14.430 -24.909 1.657 1.00 14.88 C ATOM 1599 O VAL B 724 15.639 -24.857 1.879 1.00 15.05 O ATOM 1600 CB VAL B 724 12.741 -26.512 2.577 1.00 15.85 C ATOM 1601 CG1 VAL B 724 12.032 -27.843 2.371 1.00 15.86 C ATOM 1602 CG2 VAL B 724 13.434 -26.473 3.933 1.00 15.16 C ATOM 0 H VAL B 724 15.048 -27.673 2.219 1.00 16.76 H new ATOM 0 HA VAL B 724 13.177 -26.228 0.499 1.00 15.78 H new ATOM 0 HB VAL B 724 11.993 -25.719 2.562 1.00 15.85 H new ATOM 0 HG11 VAL B 724 11.332 -28.013 3.189 1.00 15.86 H new ATOM 0 HG12 VAL B 724 11.489 -27.823 1.426 1.00 15.86 H new ATOM 0 HG13 VAL B 724 12.767 -28.647 2.350 1.00 15.86 H new ATOM 0 HG21 VAL B 724 12.705 -26.665 4.720 1.00 15.16 H new ATOM 0 HG22 VAL B 724 14.212 -27.235 3.966 1.00 15.16 H new ATOM 0 HG23 VAL B 724 13.881 -25.491 4.085 1.00 15.16 H new ATOM 1612 N ALA B 725 13.668 -23.836 1.606 1.00 14.05 N ATOM 1613 CA ALA B 725 14.216 -22.508 1.806 1.00 13.23 C ATOM 1614 C ALA B 725 13.490 -21.840 2.956 1.00 12.42 C ATOM 1615 O ALA B 725 12.299 -22.079 3.157 1.00 12.30 O ATOM 1616 CB ALA B 725 14.080 -21.687 0.532 1.00 12.89 C ATOM 0 H ALA B 725 12.664 -23.857 1.427 1.00 14.05 H new ATOM 0 HA ALA B 725 15.276 -22.581 2.048 1.00 13.23 H new ATOM 0 HB1 ALA B 725 14.495 -20.692 0.694 1.00 12.89 H new ATOM 0 HB2 ALA B 725 14.621 -22.178 -0.277 1.00 12.89 H new ATOM 0 HB3 ALA B 725 13.027 -21.602 0.265 1.00 12.89 H new ATOM 1622 N THR B 726 14.196 -21.015 3.711 1.00 11.98 N ATOM 1623 CA THR B 726 13.597 -20.348 4.849 1.00 11.24 C ATOM 1624 C THR B 726 12.858 -19.102 4.374 1.00 10.08 C ATOM 1625 O THR B 726 12.885 -18.775 3.184 1.00 9.86 O ATOM 1626 CB THR B 726 14.661 -19.976 5.911 1.00 11.44 C ATOM 1627 OG1 THR B 726 14.028 -19.530 7.118 1.00 12.47 O ATOM 1628 CG2 THR B 726 15.602 -18.894 5.396 1.00 10.81 C ATOM 0 H THR B 726 15.179 -20.793 3.556 1.00 11.98 H new ATOM 0 HA THR B 726 12.891 -21.032 5.320 1.00 11.24 H new ATOM 0 HB THR B 726 15.247 -20.871 6.120 1.00 11.44 H new ATOM 0 HG1 THR B 726 14.712 -19.300 7.781 1.00 12.47 H new ATOM 0 HG21 THR B 726 16.337 -18.655 6.165 1.00 10.81 H new ATOM 0 HG22 THR B 726 16.114 -19.252 4.503 1.00 10.81 H new ATOM 0 HG23 THR B 726 15.029 -18.000 5.152 1.00 10.81 H new ATOM 1636 N GLN B 727 12.226 -18.395 5.293 1.00 9.47 N ATOM 1637 CA GLN B 727 11.412 -17.258 4.923 1.00 8.43 C ATOM 1638 C GLN B 727 12.290 -16.037 4.702 1.00 7.65 C ATOM 1639 O GLN B 727 13.369 -15.906 5.287 1.00 7.99 O ATOM 1640 CB GLN B 727 10.372 -16.956 6.004 1.00 8.39 C ATOM 1641 CG GLN B 727 10.957 -16.288 7.235 1.00 8.72 C ATOM 1642 CD GLN B 727 9.918 -16.019 8.302 1.00 8.93 C ATOM 1643 OE1 GLN B 727 9.298 -14.956 8.330 1.00 8.98 O ATOM 1644 NE2 GLN B 727 9.713 -16.981 9.184 1.00 9.30 N ATOM 0 H GLN B 727 12.262 -18.588 6.294 1.00 9.47 H new ATOM 0 HA GLN B 727 10.890 -17.501 3.997 1.00 8.43 H new ATOM 0 HB2 GLN B 727 9.599 -16.313 5.584 1.00 8.39 H new ATOM 0 HB3 GLN B 727 9.887 -17.886 6.301 1.00 8.39 H new ATOM 0 HG2 GLN B 727 11.742 -16.921 7.649 1.00 8.72 H new ATOM 0 HG3 GLN B 727 11.426 -15.348 6.945 1.00 8.72 H new ATOM 0 HE21 GLN B 727 10.248 -17.848 9.127 1.00 9.30 H new ATOM 0 HE22 GLN B 727 9.020 -16.857 9.922 1.00 9.30 H new ATOM 1653 N CYS B 728 11.834 -15.167 3.832 1.00 6.74 N ATOM 1654 CA CYS B 728 12.529 -13.935 3.540 1.00 6.01 C ATOM 1655 C CYS B 728 11.787 -12.772 4.159 1.00 5.23 C ATOM 1656 O CYS B 728 10.745 -12.955 4.799 1.00 5.13 O ATOM 1657 CB CYS B 728 12.658 -13.757 2.031 1.00 5.72 C ATOM 1658 SG CYS B 728 11.082 -13.710 1.147 1.00 5.93 S ATOM 0 H CYS B 728 10.969 -15.293 3.306 1.00 6.74 H new ATOM 0 HA CYS B 728 13.531 -13.972 3.967 1.00 6.01 H new ATOM 0 HB2 CYS B 728 13.200 -12.833 1.832 1.00 5.72 H new ATOM 0 HB3 CYS B 728 13.261 -14.573 1.631 1.00 5.72 H new ATOM 0 HG CYS B 728 11.302 -13.554 -0.125 1.00 5.93 H new ATOM 1664 N ASP B 729 12.309 -11.582 3.956 1.00 4.88 N ATOM 1665 CA ASP B 729 11.749 -10.398 4.571 1.00 4.30 C ATOM 1666 C ASP B 729 11.222 -9.483 3.489 1.00 3.24 C ATOM 1667 O ASP B 729 11.950 -9.150 2.552 1.00 3.27 O ATOM 1668 CB ASP B 729 12.805 -9.641 5.385 1.00 4.94 C ATOM 1669 CG ASP B 729 13.136 -10.287 6.715 1.00 5.81 C ATOM 1670 OD1 ASP B 729 13.832 -11.319 6.718 1.00 6.15 O ATOM 1671 OD2 ASP B 729 12.729 -9.741 7.768 1.00 6.40 O ATOM 0 H ASP B 729 13.124 -11.408 3.367 1.00 4.88 H new ATOM 0 HA ASP B 729 10.948 -10.707 5.243 1.00 4.30 H new ATOM 0 HB2 ASP B 729 13.717 -9.562 4.794 1.00 4.94 H new ATOM 0 HB3 ASP B 729 12.452 -8.625 5.564 1.00 4.94 H new ATOM 1676 N PRO B 730 9.951 -9.092 3.576 1.00 2.69 N ATOM 1677 CA PRO B 730 9.414 -8.041 2.731 1.00 1.98 C ATOM 1678 C PRO B 730 9.976 -6.710 3.178 1.00 1.62 C ATOM 1679 O PRO B 730 9.316 -5.923 3.864 1.00 1.76 O ATOM 1680 CB PRO B 730 7.921 -8.087 2.973 1.00 2.46 C ATOM 1681 CG PRO B 730 7.757 -8.728 4.312 1.00 3.15 C ATOM 1682 CD PRO B 730 8.950 -9.630 4.508 1.00 3.33 C ATOM 0 HA PRO B 730 9.663 -8.169 1.677 1.00 1.98 H new ATOM 0 HB2 PRO B 730 7.490 -7.086 2.961 1.00 2.46 H new ATOM 0 HB3 PRO B 730 7.415 -8.662 2.197 1.00 2.46 H new ATOM 0 HG2 PRO B 730 7.708 -7.975 5.098 1.00 3.15 H new ATOM 0 HG3 PRO B 730 6.829 -9.298 4.358 1.00 3.15 H new ATOM 0 HD2 PRO B 730 9.307 -9.604 5.538 1.00 3.33 H new ATOM 0 HD3 PRO B 730 8.709 -10.668 4.281 1.00 3.33 H new ATOM 1690 N GLU B 731 11.202 -6.482 2.781 1.00 1.33 N ATOM 1691 CA GLU B 731 12.012 -5.427 3.351 1.00 1.11 C ATOM 1692 C GLU B 731 11.404 -4.065 3.087 1.00 0.98 C ATOM 1693 O GLU B 731 11.112 -3.691 1.950 1.00 1.17 O ATOM 1694 CB GLU B 731 13.457 -5.489 2.845 1.00 1.22 C ATOM 1695 CG GLU B 731 13.591 -5.340 1.346 1.00 1.01 C ATOM 1696 CD GLU B 731 13.321 -6.626 0.590 1.00 1.84 C ATOM 1697 OE1 GLU B 731 14.248 -7.453 0.466 1.00 2.37 O ATOM 1698 OE2 GLU B 731 12.185 -6.818 0.115 1.00 2.59 O ATOM 0 H GLU B 731 11.670 -7.021 2.053 1.00 1.33 H new ATOM 0 HA GLU B 731 12.034 -5.583 4.430 1.00 1.11 H new ATOM 0 HB2 GLU B 731 14.035 -4.703 3.331 1.00 1.22 H new ATOM 0 HB3 GLU B 731 13.896 -6.440 3.146 1.00 1.22 H new ATOM 0 HG2 GLU B 731 12.899 -4.572 1.001 1.00 1.01 H new ATOM 0 HG3 GLU B 731 14.597 -4.992 1.111 1.00 1.01 H new ATOM 1705 N GLU B 732 11.192 -3.345 4.160 1.00 0.91 N ATOM 1706 CA GLU B 732 10.661 -2.008 4.087 1.00 0.89 C ATOM 1707 C GLU B 732 11.711 -1.022 4.539 1.00 0.66 C ATOM 1708 O GLU B 732 12.309 -1.180 5.601 1.00 0.71 O ATOM 1709 CB GLU B 732 9.423 -1.862 4.958 1.00 1.15 C ATOM 1710 CG GLU B 732 8.920 -0.434 5.009 1.00 1.40 C ATOM 1711 CD GLU B 732 7.794 -0.250 6.005 1.00 2.02 C ATOM 1712 OE1 GLU B 732 6.656 -0.656 5.707 1.00 2.41 O ATOM 1713 OE2 GLU B 732 8.048 0.295 7.098 1.00 2.40 O ATOM 0 H GLU B 732 11.383 -3.669 5.108 1.00 0.91 H new ATOM 0 HA GLU B 732 10.381 -1.807 3.053 1.00 0.89 H new ATOM 0 HB2 GLU B 732 8.634 -2.509 4.575 1.00 1.15 H new ATOM 0 HB3 GLU B 732 9.651 -2.201 5.969 1.00 1.15 H new ATOM 0 HG2 GLU B 732 9.745 0.229 5.271 1.00 1.40 H new ATOM 0 HG3 GLU B 732 8.576 -0.138 4.018 1.00 1.40 H new ATOM 1720 N ILE B 733 11.939 -0.015 3.735 1.00 0.53 N ATOM 1721 CA ILE B 733 12.906 0.998 4.067 1.00 0.40 C ATOM 1722 C ILE B 733 12.169 2.262 4.465 1.00 0.35 C ATOM 1723 O ILE B 733 11.248 2.695 3.771 1.00 0.38 O ATOM 1724 CB ILE B 733 13.874 1.277 2.902 1.00 0.38 C ATOM 1725 CG1 ILE B 733 14.766 0.055 2.657 1.00 0.48 C ATOM 1726 CG2 ILE B 733 14.732 2.495 3.214 1.00 0.45 C ATOM 1727 CD1 ILE B 733 14.062 -1.157 2.087 1.00 1.01 C ATOM 0 H ILE B 733 11.466 0.125 2.842 1.00 0.53 H new ATOM 0 HA ILE B 733 13.514 0.641 4.899 1.00 0.40 H new ATOM 0 HB ILE B 733 13.293 1.477 2.002 1.00 0.38 H new ATOM 0 HG12 ILE B 733 15.568 0.342 1.977 1.00 0.48 H new ATOM 0 HG13 ILE B 733 15.234 -0.227 3.600 1.00 0.48 H new ATOM 0 HG21 ILE B 733 15.413 2.683 2.384 1.00 0.45 H new ATOM 0 HG22 ILE B 733 14.091 3.364 3.361 1.00 0.45 H new ATOM 0 HG23 ILE B 733 15.308 2.312 4.121 1.00 0.45 H new ATOM 0 HD11 ILE B 733 14.781 -1.965 1.952 1.00 1.01 H new ATOM 0 HD12 ILE B 733 13.279 -1.479 2.773 1.00 1.01 H new ATOM 0 HD13 ILE B 733 13.618 -0.901 1.125 1.00 1.01 H new ATOM 1739 N ILE B 734 12.546 2.842 5.587 1.00 0.31 N ATOM 1740 CA ILE B 734 11.889 4.030 6.087 1.00 0.30 C ATOM 1741 C ILE B 734 12.555 5.273 5.527 1.00 0.29 C ATOM 1742 O ILE B 734 13.590 5.187 4.865 1.00 0.37 O ATOM 1743 CB ILE B 734 11.927 4.067 7.636 1.00 0.29 C ATOM 1744 CG1 ILE B 734 13.231 3.457 8.188 1.00 0.28 C ATOM 1745 CG2 ILE B 734 10.721 3.336 8.213 1.00 0.34 C ATOM 1746 CD1 ILE B 734 14.495 4.221 7.839 1.00 0.29 C ATOM 0 H ILE B 734 13.310 2.505 6.173 1.00 0.31 H new ATOM 0 HA ILE B 734 10.848 4.005 5.764 1.00 0.30 H new ATOM 0 HB ILE B 734 11.892 5.113 7.942 1.00 0.29 H new ATOM 0 HG12 ILE B 734 13.152 3.391 9.273 1.00 0.28 H new ATOM 0 HG13 ILE B 734 13.325 2.438 7.813 1.00 0.28 H new ATOM 0 HG21 ILE B 734 10.761 3.370 9.302 1.00 0.34 H new ATOM 0 HG22 ILE B 734 9.805 3.816 7.869 1.00 0.34 H new ATOM 0 HG23 ILE B 734 10.732 2.298 7.882 1.00 0.34 H new ATOM 0 HD11 ILE B 734 15.358 3.714 8.272 1.00 0.29 H new ATOM 0 HD12 ILE B 734 14.606 4.265 6.756 1.00 0.29 H new ATOM 0 HD13 ILE B 734 14.431 5.233 8.239 1.00 0.29 H new ATOM 1758 N VAL B 735 11.953 6.420 5.751 1.00 0.29 N ATOM 1759 CA VAL B 735 12.551 7.656 5.303 1.00 0.28 C ATOM 1760 C VAL B 735 13.049 8.473 6.491 1.00 0.29 C ATOM 1761 O VAL B 735 12.599 8.292 7.625 1.00 0.34 O ATOM 1762 CB VAL B 735 11.569 8.493 4.450 1.00 0.31 C ATOM 1763 CG1 VAL B 735 10.469 9.106 5.303 1.00 0.39 C ATOM 1764 CG2 VAL B 735 12.322 9.566 3.677 1.00 0.60 C ATOM 0 H VAL B 735 11.061 6.522 6.235 1.00 0.29 H new ATOM 0 HA VAL B 735 13.400 7.396 4.671 1.00 0.28 H new ATOM 0 HB VAL B 735 11.089 7.823 3.736 1.00 0.31 H new ATOM 0 HG11 VAL B 735 9.798 9.687 4.670 1.00 0.39 H new ATOM 0 HG12 VAL B 735 9.907 8.313 5.796 1.00 0.39 H new ATOM 0 HG13 VAL B 735 10.913 9.758 6.055 1.00 0.39 H new ATOM 0 HG21 VAL B 735 11.618 10.147 3.081 1.00 0.60 H new ATOM 0 HG22 VAL B 735 12.836 10.225 4.377 1.00 0.60 H new ATOM 0 HG23 VAL B 735 13.052 9.095 3.019 1.00 0.60 H new ATOM 1774 N LEU B 736 13.996 9.341 6.203 1.00 0.28 N ATOM 1775 CA LEU B 736 14.555 10.265 7.173 1.00 0.32 C ATOM 1776 C LEU B 736 13.664 11.492 7.320 1.00 0.33 C ATOM 1777 O LEU B 736 12.732 11.692 6.542 1.00 0.35 O ATOM 1778 CB LEU B 736 15.940 10.686 6.707 1.00 0.43 C ATOM 1779 CG LEU B 736 16.125 10.641 5.190 1.00 0.32 C ATOM 1780 CD1 LEU B 736 16.672 11.959 4.665 1.00 0.45 C ATOM 1781 CD2 LEU B 736 17.044 9.495 4.821 1.00 0.43 C ATOM 0 H LEU B 736 14.407 9.427 5.274 1.00 0.28 H new ATOM 0 HA LEU B 736 14.620 9.773 8.143 1.00 0.32 H new ATOM 0 HB2 LEU B 736 16.138 11.699 7.057 1.00 0.43 H new ATOM 0 HB3 LEU B 736 16.682 10.037 7.173 1.00 0.43 H new ATOM 0 HG LEU B 736 15.152 10.480 4.726 1.00 0.32 H new ATOM 0 HD11 LEU B 736 16.793 11.898 3.584 1.00 0.45 H new ATOM 0 HD12 LEU B 736 15.978 12.763 4.907 1.00 0.45 H new ATOM 0 HD13 LEU B 736 17.638 12.162 5.127 1.00 0.45 H new ATOM 0 HD21 LEU B 736 17.173 9.466 3.739 1.00 0.43 H new ATOM 0 HD22 LEU B 736 18.013 9.638 5.299 1.00 0.43 H new ATOM 0 HD23 LEU B 736 16.608 8.555 5.159 1.00 0.43 H new ATOM 1793 N SER B 737 13.968 12.315 8.312 1.00 0.40 N ATOM 1794 CA SER B 737 13.120 13.448 8.645 1.00 0.49 C ATOM 1795 C SER B 737 13.479 14.673 7.795 1.00 0.55 C ATOM 1796 O SER B 737 14.459 14.666 7.045 1.00 0.57 O ATOM 1797 CB SER B 737 13.228 13.771 10.139 1.00 0.56 C ATOM 1798 OG SER B 737 12.156 14.600 10.558 1.00 1.51 O ATOM 0 H SER B 737 14.796 12.219 8.900 1.00 0.40 H new ATOM 0 HA SER B 737 12.087 13.180 8.422 1.00 0.49 H new ATOM 0 HB2 SER B 737 13.224 12.846 10.716 1.00 0.56 H new ATOM 0 HB3 SER B 737 14.177 14.268 10.340 1.00 0.56 H new ATOM 0 HG SER B 737 12.245 14.792 11.515 1.00 1.51 H new ATOM 1804 N ASP B 738 12.691 15.727 7.955 1.00 0.80 N ATOM 1805 CA ASP B 738 12.659 16.845 7.018 1.00 0.92 C ATOM 1806 C ASP B 738 13.876 17.766 7.105 1.00 0.86 C ATOM 1807 O ASP B 738 14.390 18.068 8.182 1.00 1.00 O ATOM 1808 CB ASP B 738 11.393 17.677 7.246 1.00 1.31 C ATOM 1809 CG ASP B 738 11.398 18.395 8.584 1.00 1.55 C ATOM 1810 OD1 ASP B 738 11.284 17.722 9.629 1.00 1.76 O ATOM 1811 OD2 ASP B 738 11.537 19.636 8.599 1.00 1.90 O ATOM 0 H ASP B 738 12.052 15.833 8.743 1.00 0.80 H new ATOM 0 HA ASP B 738 12.669 16.400 6.023 1.00 0.92 H new ATOM 0 HB2 ASP B 738 11.295 18.410 6.445 1.00 1.31 H new ATOM 0 HB3 ASP B 738 10.520 17.026 7.191 1.00 1.31 H new ATOM 1816 N SER B 739 14.326 18.178 5.932 1.00 0.81 N ATOM 1817 CA SER B 739 15.250 19.291 5.770 1.00 0.85 C ATOM 1818 C SER B 739 14.435 20.485 5.271 1.00 0.94 C ATOM 1819 O SER B 739 13.206 20.439 5.323 1.00 1.35 O ATOM 1820 CB SER B 739 16.356 18.932 4.773 1.00 0.96 C ATOM 1821 OG SER B 739 16.982 17.701 5.114 1.00 1.50 O ATOM 0 H SER B 739 14.056 17.742 5.050 1.00 0.81 H new ATOM 0 HA SER B 739 15.737 19.529 6.716 1.00 0.85 H new ATOM 0 HB2 SER B 739 15.935 18.862 3.770 1.00 0.96 H new ATOM 0 HB3 SER B 739 17.101 19.727 4.752 1.00 0.96 H new ATOM 0 HG SER B 739 16.679 16.999 4.501 1.00 1.50 H new ATOM 1827 N ASP B 740 15.085 21.573 4.872 1.00 0.89 N ATOM 1828 CA ASP B 740 14.368 22.667 4.216 1.00 0.97 C ATOM 1829 C ASP B 740 13.615 22.153 2.989 1.00 1.26 C ATOM 1830 O ASP B 740 14.276 21.630 2.060 1.00 1.80 O ATOM 1831 CB ASP B 740 15.317 23.781 3.788 1.00 1.09 C ATOM 1832 CG ASP B 740 14.572 24.998 3.278 1.00 1.56 C ATOM 1833 OD1 ASP B 740 13.835 25.632 4.063 1.00 1.95 O ATOM 1834 OD2 ASP B 740 14.706 25.323 2.077 1.00 1.95 O ATOM 1835 OXT ASP B 740 12.367 22.233 2.983 1.00 1.87 O ATOM 0 H ASP B 740 16.087 21.723 4.987 1.00 0.89 H new ATOM 0 HA ASP B 740 13.661 23.070 4.941 1.00 0.97 H new ATOM 0 HB2 ASP B 740 15.944 24.067 4.633 1.00 1.09 H new ATOM 0 HB3 ASP B 740 15.983 23.410 3.008 1.00 1.09 H new TER 1840 ASP B 740