USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1072 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 101 MET CE :methyl -131:sc= -0.315 (180deg=-2.25) USER MOD Set 1.2: A 117 MET CE :methyl -156:sc= -0.22 (180deg=-0.257) USER MOD Set 2.1: A 93 SER OG : rot 134:sc= 1.22 USER MOD Set 2.2: A 108 TYR OH : rot 180:sc= 0.977 USER MOD Set 3.1: A 91 ASN : amide:sc= 1.06 K(o=2.2,f=-1.5) USER MOD Set 3.2: A 118 THR OG1 : rot -167:sc= 1.18 USER MOD Set 4.1: A 67 THR OG1 : rot -170:sc= -0.0885 USER MOD Set 4.2: A 97 MET CE :methyl -177:sc= -0.654 (180deg=-0.447) USER MOD Set 5.1: A 15 GLN : amide:sc= 1.1 K(o=2.2,f=-10!) USER MOD Set 5.2: A 57 LYS NZ :NH3+ -163:sc= 1.13 (180deg=-0.233) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0994 (180deg=-0.536) USER MOD Single : A 5 GLN : amide:sc= -0.159 K(o=-0.16,f=-0.77) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= -0.028 (180deg=-0.189) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -118:sc= 0.097 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= -0.107 (180deg=-0.432) USER MOD Single : A 17 LYS NZ :NH3+ -121:sc= 0.634 (180deg=0.382) USER MOD Single : A 18 SER OG : rot 180:sc= -0.42 USER MOD Single : A 23 GLN : amide:sc= -0.642 X(o=-0.64,f=-0.56) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 36 LYS NZ :NH3+ 156:sc= -0.0374 (180deg=-0.187) USER MOD Single : A 44 TYR OH : rot 64:sc= 1.74 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= -0.0855 (180deg=-0.355) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00284 USER MOD Single : A 66 MET CE :methyl -166:sc= -1.14 (180deg=-2.22!) USER MOD Single : A 68 GLN : amide:sc= -0.205 K(o=-0.21,f=-0.8) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 68:sc= 1.23 USER MOD Single : A 77 MET CE :methyl -143:sc= -0.0863 (180deg=-0.237) USER MOD Single : A 82 THR OG1 : rot -42:sc= 0.372 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0122 X(o=-0.012,f=-0.12) USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= -0.0439 (180deg=-0.305) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -75:sc= 0.51 USER MOD Single : A 105 TYR OH : rot 30:sc= -0.114 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 TYR OH : rot 44:sc= 1.2 USER MOD Single : A 119 TYR OH : rot 177:sc= -0.127 USER MOD Single : A 121 SER OG : rot 17:sc= 0.499 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -35.743 -5.748 -17.841 1.00 29.36 N ATOM 2 CA GLY A -1 -34.741 -4.938 -18.574 1.00 29.54 C ATOM 3 C GLY A -1 -33.331 -5.427 -18.326 1.00 29.10 C ATOM 4 O GLY A -1 -33.121 -6.355 -17.546 1.00 28.91 O ATOM 0 H1 GLY A -1 -36.381 -6.210 -18.521 1.00 29.36 H new ATOM 0 H2 GLY A -1 -35.257 -6.472 -17.275 1.00 29.36 H new ATOM 0 H3 GLY A -1 -36.296 -5.131 -17.212 1.00 29.36 H new ATOM 0 HA2 GLY A -1 -34.955 -4.975 -19.642 1.00 29.54 H new ATOM 0 HA3 GLY A -1 -34.823 -3.895 -18.268 1.00 29.54 H new ATOM 10 N SER A 0 -32.363 -4.808 -18.981 1.00 28.99 N ATOM 11 CA SER A 0 -30.974 -5.194 -18.817 1.00 28.64 C ATOM 12 C SER A 0 -30.311 -4.343 -17.737 1.00 27.50 C ATOM 13 O SER A 0 -29.817 -3.244 -18.007 1.00 27.11 O ATOM 14 CB SER A 0 -30.222 -5.058 -20.144 1.00 29.29 C ATOM 15 OG SER A 0 -28.891 -5.539 -20.037 1.00 29.85 O ATOM 0 H SER A 0 -32.515 -4.036 -19.631 1.00 28.99 H new ATOM 0 HA SER A 0 -30.937 -6.238 -18.506 1.00 28.64 H new ATOM 0 HB2 SER A 0 -30.749 -5.612 -20.921 1.00 29.29 H new ATOM 0 HB3 SER A 0 -30.209 -4.012 -20.451 1.00 29.29 H new ATOM 0 HG SER A 0 -28.437 -5.440 -20.900 1.00 29.85 H new ATOM 21 N MET A 1 -30.339 -4.835 -16.505 1.00 27.04 N ATOM 22 CA MET A 1 -29.656 -4.171 -15.404 1.00 26.01 C ATOM 23 C MET A 1 -28.292 -4.814 -15.171 1.00 25.09 C ATOM 24 O MET A 1 -28.211 -5.988 -14.803 1.00 25.06 O ATOM 25 CB MET A 1 -30.493 -4.233 -14.124 1.00 26.03 C ATOM 26 CG MET A 1 -31.790 -3.443 -14.199 1.00 26.09 C ATOM 27 SD MET A 1 -32.694 -3.433 -12.636 1.00 26.08 S ATOM 28 CE MET A 1 -33.003 -5.182 -12.404 1.00 26.33 C ATOM 0 H MET A 1 -30.827 -5.691 -16.244 1.00 27.04 H new ATOM 0 HA MET A 1 -29.517 -3.123 -15.670 1.00 26.01 H new ATOM 0 HB2 MET A 1 -30.725 -5.275 -13.903 1.00 26.03 H new ATOM 0 HB3 MET A 1 -29.897 -3.856 -13.293 1.00 26.03 H new ATOM 0 HG2 MET A 1 -31.569 -2.417 -14.492 1.00 26.09 H new ATOM 0 HG3 MET A 1 -32.424 -3.867 -14.978 1.00 26.09 H new ATOM 0 HE1 MET A 1 -33.793 -5.317 -11.665 1.00 26.33 H new ATOM 0 HE2 MET A 1 -33.312 -5.626 -13.351 1.00 26.33 H new ATOM 0 HE3 MET A 1 -32.093 -5.669 -12.055 1.00 26.33 H new ATOM 38 N PRO A 2 -27.207 -4.061 -15.394 1.00 24.39 N ATOM 39 CA PRO A 2 -25.840 -4.572 -15.240 1.00 23.52 C ATOM 40 C PRO A 2 -25.458 -4.780 -13.774 1.00 22.82 C ATOM 41 O PRO A 2 -25.764 -3.946 -12.920 1.00 22.63 O ATOM 42 CB PRO A 2 -24.980 -3.472 -15.865 1.00 23.10 C ATOM 43 CG PRO A 2 -25.784 -2.228 -15.712 1.00 23.69 C ATOM 44 CD PRO A 2 -27.225 -2.648 -15.816 1.00 24.48 C ATOM 0 HA PRO A 2 -25.715 -5.549 -15.707 1.00 23.52 H new ATOM 0 HB2 PRO A 2 -24.018 -3.386 -15.359 1.00 23.10 H new ATOM 0 HB3 PRO A 2 -24.771 -3.681 -16.914 1.00 23.10 H new ATOM 0 HG2 PRO A 2 -25.585 -1.751 -14.752 1.00 23.69 H new ATOM 0 HG3 PRO A 2 -25.532 -1.503 -16.486 1.00 23.69 H new ATOM 0 HD2 PRO A 2 -27.865 -2.046 -15.172 1.00 24.48 H new ATOM 0 HD3 PRO A 2 -27.602 -2.538 -16.833 1.00 24.48 H new ATOM 52 N PRO A 3 -24.790 -5.900 -13.464 1.00 22.54 N ATOM 53 CA PRO A 3 -24.350 -6.201 -12.101 1.00 21.97 C ATOM 54 C PRO A 3 -23.182 -5.313 -11.670 1.00 21.06 C ATOM 55 O PRO A 3 -22.135 -5.295 -12.320 1.00 20.64 O ATOM 56 CB PRO A 3 -23.911 -7.664 -12.184 1.00 21.96 C ATOM 57 CG PRO A 3 -23.518 -7.862 -13.608 1.00 22.48 C ATOM 58 CD PRO A 3 -24.411 -6.962 -14.416 1.00 22.87 C ATOM 0 HA PRO A 3 -25.134 -6.023 -11.365 1.00 21.97 H new ATOM 0 HB2 PRO A 3 -23.077 -7.866 -11.512 1.00 21.96 H new ATOM 0 HB3 PRO A 3 -24.720 -8.337 -11.899 1.00 21.96 H new ATOM 0 HG2 PRO A 3 -22.469 -7.610 -13.761 1.00 22.48 H new ATOM 0 HG3 PRO A 3 -23.642 -8.903 -13.905 1.00 22.48 H new ATOM 0 HD2 PRO A 3 -23.891 -6.555 -15.283 1.00 22.87 H new ATOM 0 HD3 PRO A 3 -25.285 -7.496 -14.790 1.00 22.87 H new ATOM 66 N PRO A 4 -23.356 -4.544 -10.585 1.00 20.84 N ATOM 67 CA PRO A 4 -22.294 -3.693 -10.051 1.00 20.09 C ATOM 68 C PRO A 4 -21.096 -4.515 -9.585 1.00 19.53 C ATOM 69 O PRO A 4 -21.255 -5.567 -8.962 1.00 19.27 O ATOM 70 CB PRO A 4 -22.949 -2.975 -8.863 1.00 20.21 C ATOM 71 CG PRO A 4 -24.418 -3.141 -9.064 1.00 21.02 C ATOM 72 CD PRO A 4 -24.596 -4.436 -9.802 1.00 21.43 C ATOM 0 HA PRO A 4 -21.907 -3.005 -10.803 1.00 20.09 H new ATOM 0 HB2 PRO A 4 -22.630 -3.410 -7.916 1.00 20.21 H new ATOM 0 HB3 PRO A 4 -22.672 -1.921 -8.839 1.00 20.21 H new ATOM 0 HG2 PRO A 4 -24.942 -3.162 -8.108 1.00 21.02 H new ATOM 0 HG3 PRO A 4 -24.829 -2.308 -9.634 1.00 21.02 H new ATOM 0 HD2 PRO A 4 -24.716 -5.277 -9.119 1.00 21.43 H new ATOM 0 HD3 PRO A 4 -25.478 -4.417 -10.443 1.00 21.43 H new ATOM 80 N GLN A 5 -19.904 -4.042 -9.898 1.00 19.48 N ATOM 81 CA GLN A 5 -18.690 -4.744 -9.524 1.00 19.08 C ATOM 82 C GLN A 5 -18.180 -4.244 -8.182 1.00 18.23 C ATOM 83 O GLN A 5 -18.217 -3.040 -7.908 1.00 17.82 O ATOM 84 CB GLN A 5 -17.613 -4.565 -10.593 1.00 19.59 C ATOM 85 CG GLN A 5 -17.974 -5.184 -11.933 1.00 19.61 C ATOM 86 CD GLN A 5 -18.189 -6.683 -11.844 1.00 20.26 C ATOM 87 OE1 GLN A 5 -17.582 -7.366 -11.015 1.00 20.54 O ATOM 88 NE2 GLN A 5 -19.054 -7.207 -12.695 1.00 20.60 N ATOM 0 H GLN A 5 -19.750 -3.174 -10.411 1.00 19.48 H new ATOM 0 HA GLN A 5 -18.923 -5.805 -9.439 1.00 19.08 H new ATOM 0 HB2 GLN A 5 -17.426 -3.500 -10.733 1.00 19.59 H new ATOM 0 HB3 GLN A 5 -16.683 -5.008 -10.237 1.00 19.59 H new ATOM 0 HG2 GLN A 5 -18.880 -4.713 -12.315 1.00 19.61 H new ATOM 0 HG3 GLN A 5 -17.180 -4.976 -12.651 1.00 19.61 H new ATOM 0 HE21 GLN A 5 -19.536 -6.608 -13.366 1.00 20.60 H new ATOM 0 HE22 GLN A 5 -19.240 -8.210 -12.681 1.00 20.60 H new ATOM 97 N LYS A 6 -17.711 -5.179 -7.360 1.00 18.08 N ATOM 98 CA LYS A 6 -17.185 -4.877 -6.031 1.00 17.42 C ATOM 99 C LYS A 6 -18.261 -4.255 -5.148 1.00 16.78 C ATOM 100 O LYS A 6 -18.336 -3.032 -5.009 1.00 16.87 O ATOM 101 CB LYS A 6 -15.973 -3.944 -6.125 1.00 17.87 C ATOM 102 CG LYS A 6 -14.858 -4.480 -7.009 1.00 18.15 C ATOM 103 CD LYS A 6 -13.708 -3.492 -7.109 1.00 18.50 C ATOM 104 CE LYS A 6 -12.613 -4.000 -8.032 1.00 18.81 C ATOM 105 NZ LYS A 6 -12.056 -5.303 -7.580 1.00 18.97 N ATOM 0 H LYS A 6 -17.685 -6.171 -7.597 1.00 18.08 H new ATOM 0 HA LYS A 6 -16.867 -5.815 -5.577 1.00 17.42 H new ATOM 0 HB2 LYS A 6 -16.298 -2.978 -6.511 1.00 17.87 H new ATOM 0 HB3 LYS A 6 -15.580 -3.771 -5.123 1.00 17.87 H new ATOM 0 HG2 LYS A 6 -14.494 -5.425 -6.606 1.00 18.15 H new ATOM 0 HG3 LYS A 6 -15.249 -4.688 -8.005 1.00 18.15 H new ATOM 0 HD2 LYS A 6 -14.080 -2.536 -7.477 1.00 18.50 H new ATOM 0 HD3 LYS A 6 -13.294 -3.313 -6.117 1.00 18.50 H new ATOM 0 HE2 LYS A 6 -13.012 -4.108 -9.041 1.00 18.81 H new ATOM 0 HE3 LYS A 6 -11.812 -3.263 -8.083 1.00 18.81 H new ATOM 0 HZ1 LYS A 6 -11.187 -5.512 -8.111 1.00 18.97 H new ATOM 0 HZ2 LYS A 6 -11.838 -5.254 -6.564 1.00 18.97 H new ATOM 0 HZ3 LYS A 6 -12.754 -6.056 -7.748 1.00 18.97 H new ATOM 119 N ILE A 7 -19.097 -5.101 -4.559 1.00 16.28 N ATOM 120 CA ILE A 7 -20.160 -4.638 -3.677 1.00 15.80 C ATOM 121 C ILE A 7 -19.900 -5.094 -2.241 1.00 15.32 C ATOM 122 O ILE A 7 -20.421 -6.122 -1.802 1.00 15.18 O ATOM 123 CB ILE A 7 -21.547 -5.162 -4.117 1.00 15.71 C ATOM 124 CG1 ILE A 7 -21.769 -4.926 -5.612 1.00 16.07 C ATOM 125 CG2 ILE A 7 -22.647 -4.483 -3.307 1.00 15.48 C ATOM 126 CD1 ILE A 7 -23.058 -5.528 -6.132 1.00 16.36 C ATOM 0 H ILE A 7 -19.059 -6.113 -4.677 1.00 16.28 H new ATOM 0 HA ILE A 7 -20.163 -3.549 -3.733 1.00 15.80 H new ATOM 0 HB ILE A 7 -21.582 -6.236 -3.932 1.00 15.71 H new ATOM 0 HG12 ILE A 7 -21.774 -3.853 -5.806 1.00 16.07 H new ATOM 0 HG13 ILE A 7 -20.931 -5.347 -6.167 1.00 16.07 H new ATOM 0 HG21 ILE A 7 -23.619 -4.860 -3.626 1.00 15.48 H new ATOM 0 HG22 ILE A 7 -22.504 -4.697 -2.248 1.00 15.48 H new ATOM 0 HG23 ILE A 7 -22.605 -3.406 -3.468 1.00 15.48 H new ATOM 0 HD11 ILE A 7 -23.151 -5.323 -7.198 1.00 16.36 H new ATOM 0 HD12 ILE A 7 -23.048 -6.606 -5.969 1.00 16.36 H new ATOM 0 HD13 ILE A 7 -23.904 -5.089 -5.603 1.00 16.36 H new ATOM 138 N PRO A 8 -19.082 -4.351 -1.489 1.00 15.19 N ATOM 139 CA PRO A 8 -18.795 -4.663 -0.104 1.00 14.91 C ATOM 140 C PRO A 8 -19.773 -3.973 0.840 1.00 14.32 C ATOM 141 O PRO A 8 -20.867 -3.571 0.428 1.00 14.51 O ATOM 142 CB PRO A 8 -17.381 -4.113 0.070 1.00 15.11 C ATOM 143 CG PRO A 8 -17.294 -2.953 -0.871 1.00 15.30 C ATOM 144 CD PRO A 8 -18.368 -3.140 -1.921 1.00 15.48 C ATOM 0 HA PRO A 8 -18.884 -5.725 0.126 1.00 14.91 H new ATOM 0 HB2 PRO A 8 -17.204 -3.800 1.099 1.00 15.11 H new ATOM 0 HB3 PRO A 8 -16.632 -4.869 -0.166 1.00 15.11 H new ATOM 0 HG2 PRO A 8 -17.439 -2.014 -0.337 1.00 15.30 H new ATOM 0 HG3 PRO A 8 -16.308 -2.908 -1.334 1.00 15.30 H new ATOM 0 HD2 PRO A 8 -19.035 -2.279 -1.968 1.00 15.48 H new ATOM 0 HD3 PRO A 8 -17.937 -3.264 -2.915 1.00 15.48 H new ATOM 152 N SER A 9 -19.388 -3.840 2.097 1.00 13.73 N ATOM 153 CA SER A 9 -20.198 -3.121 3.066 1.00 13.20 C ATOM 154 C SER A 9 -20.214 -1.626 2.741 1.00 12.19 C ATOM 155 O SER A 9 -19.470 -1.173 1.866 1.00 11.80 O ATOM 156 CB SER A 9 -19.652 -3.360 4.475 1.00 13.42 C ATOM 157 OG SER A 9 -19.534 -4.748 4.742 1.00 13.76 O ATOM 0 H SER A 9 -18.519 -4.221 2.471 1.00 13.73 H new ATOM 0 HA SER A 9 -21.222 -3.491 3.019 1.00 13.20 H new ATOM 0 HB2 SER A 9 -18.678 -2.881 4.578 1.00 13.42 H new ATOM 0 HB3 SER A 9 -20.313 -2.899 5.209 1.00 13.42 H new ATOM 0 HG SER A 9 -19.182 -4.878 5.647 1.00 13.76 H new ATOM 163 N VAL A 10 -21.057 -0.868 3.425 1.00 11.94 N ATOM 164 CA VAL A 10 -21.143 0.570 3.198 1.00 11.10 C ATOM 165 C VAL A 10 -19.794 1.229 3.460 1.00 10.38 C ATOM 166 O VAL A 10 -19.240 1.914 2.597 1.00 10.56 O ATOM 167 CB VAL A 10 -22.219 1.217 4.094 1.00 11.34 C ATOM 168 CG1 VAL A 10 -22.275 2.719 3.874 1.00 11.49 C ATOM 169 CG2 VAL A 10 -23.580 0.591 3.834 1.00 11.93 C ATOM 0 H VAL A 10 -21.691 -1.222 4.141 1.00 11.94 H new ATOM 0 HA VAL A 10 -21.426 0.724 2.157 1.00 11.10 H new ATOM 0 HB VAL A 10 -21.947 1.034 5.134 1.00 11.34 H new ATOM 0 HG11 VAL A 10 -23.041 3.153 4.517 1.00 11.49 H new ATOM 0 HG12 VAL A 10 -21.307 3.158 4.116 1.00 11.49 H new ATOM 0 HG13 VAL A 10 -22.517 2.925 2.831 1.00 11.49 H new ATOM 0 HG21 VAL A 10 -24.325 1.061 4.476 1.00 11.93 H new ATOM 0 HG22 VAL A 10 -23.855 0.739 2.790 1.00 11.93 H new ATOM 0 HG23 VAL A 10 -23.537 -0.477 4.050 1.00 11.93 H new ATOM 179 N ARG A 11 -19.264 0.993 4.647 1.00 9.76 N ATOM 180 CA ARG A 11 -17.958 1.501 5.029 1.00 9.19 C ATOM 181 C ARG A 11 -17.179 0.427 5.786 1.00 8.44 C ATOM 182 O ARG A 11 -17.110 0.440 7.015 1.00 8.32 O ATOM 183 CB ARG A 11 -18.105 2.776 5.872 1.00 9.37 C ATOM 184 CG ARG A 11 -19.172 2.675 6.952 1.00 9.61 C ATOM 185 CD ARG A 11 -19.300 3.969 7.739 1.00 10.18 C ATOM 186 NE ARG A 11 -20.414 3.917 8.685 1.00 10.69 N ATOM 187 CZ ARG A 11 -20.637 4.826 9.633 1.00 11.43 C ATOM 188 NH1 ARG A 11 -19.830 5.870 9.764 1.00 11.75 N ATOM 189 NH2 ARG A 11 -21.681 4.693 10.443 1.00 12.04 N ATOM 0 H ARG A 11 -19.726 0.445 5.372 1.00 9.76 H new ATOM 0 HA ARG A 11 -17.399 1.757 4.129 1.00 9.19 H new ATOM 0 HB2 ARG A 11 -17.147 3.004 6.340 1.00 9.37 H new ATOM 0 HB3 ARG A 11 -18.345 3.611 5.213 1.00 9.37 H new ATOM 0 HG2 ARG A 11 -20.131 2.431 6.495 1.00 9.61 H new ATOM 0 HG3 ARG A 11 -18.926 1.859 7.631 1.00 9.61 H new ATOM 0 HD2 ARG A 11 -18.373 4.160 8.279 1.00 10.18 H new ATOM 0 HD3 ARG A 11 -19.446 4.801 7.050 1.00 10.18 H new ATOM 0 HE ARG A 11 -21.063 3.133 8.614 1.00 10.69 H new ATOM 0 HH11 ARG A 11 -19.033 5.981 9.137 1.00 11.75 H new ATOM 0 HH12 ARG A 11 -20.006 6.563 10.492 1.00 11.75 H new ATOM 0 HH21 ARG A 11 -22.309 3.896 10.338 1.00 12.04 H new ATOM 0 HH22 ARG A 11 -21.854 5.387 11.170 1.00 12.04 H new ATOM 203 N PRO A 12 -16.585 -0.531 5.049 1.00 8.19 N ATOM 204 CA PRO A 12 -15.829 -1.635 5.646 1.00 7.75 C ATOM 205 C PRO A 12 -14.590 -1.127 6.368 1.00 6.80 C ATOM 206 O PRO A 12 -14.204 -1.637 7.421 1.00 6.68 O ATOM 207 CB PRO A 12 -15.426 -2.506 4.447 1.00 8.08 C ATOM 208 CG PRO A 12 -16.270 -2.041 3.307 1.00 8.79 C ATOM 209 CD PRO A 12 -16.588 -0.600 3.581 1.00 8.66 C ATOM 0 HA PRO A 12 -16.413 -2.177 6.389 1.00 7.75 H new ATOM 0 HB2 PRO A 12 -14.366 -2.394 4.220 1.00 8.08 H new ATOM 0 HB3 PRO A 12 -15.597 -3.562 4.655 1.00 8.08 H new ATOM 0 HG2 PRO A 12 -15.740 -2.149 2.361 1.00 8.79 H new ATOM 0 HG3 PRO A 12 -17.182 -2.633 3.231 1.00 8.79 H new ATOM 0 HD2 PRO A 12 -15.844 0.067 3.145 1.00 8.66 H new ATOM 0 HD3 PRO A 12 -17.555 -0.315 3.166 1.00 8.66 H new ATOM 217 N PHE A 13 -13.979 -0.111 5.783 1.00 6.42 N ATOM 218 CA PHE A 13 -12.823 0.536 6.365 1.00 5.76 C ATOM 219 C PHE A 13 -13.150 1.998 6.618 1.00 4.90 C ATOM 220 O PHE A 13 -13.837 2.630 5.810 1.00 4.75 O ATOM 221 CB PHE A 13 -11.617 0.444 5.420 1.00 6.03 C ATOM 222 CG PHE A 13 -11.307 -0.949 4.949 1.00 7.08 C ATOM 223 CD1 PHE A 13 -10.482 -1.777 5.690 1.00 7.73 C ATOM 224 CD2 PHE A 13 -11.840 -1.427 3.763 1.00 7.67 C ATOM 225 CE1 PHE A 13 -10.195 -3.056 5.258 1.00 8.84 C ATOM 226 CE2 PHE A 13 -11.557 -2.705 3.325 1.00 8.79 C ATOM 227 CZ PHE A 13 -10.734 -3.522 4.074 1.00 9.33 C ATOM 0 H PHE A 13 -14.273 0.286 4.891 1.00 6.42 H new ATOM 0 HA PHE A 13 -12.572 0.036 7.300 1.00 5.76 H new ATOM 0 HB2 PHE A 13 -11.801 1.076 4.551 1.00 6.03 H new ATOM 0 HB3 PHE A 13 -10.741 0.847 5.927 1.00 6.03 H new ATOM 0 HD1 PHE A 13 -10.058 -1.418 6.616 1.00 7.73 H new ATOM 0 HD2 PHE A 13 -12.485 -0.792 3.174 1.00 7.67 H new ATOM 0 HE1 PHE A 13 -9.549 -3.692 5.845 1.00 8.84 H new ATOM 0 HE2 PHE A 13 -11.979 -3.065 2.398 1.00 8.79 H new ATOM 0 HZ PHE A 13 -10.512 -4.523 3.735 1.00 9.33 H new ATOM 237 N LYS A 14 -12.675 2.535 7.729 1.00 4.79 N ATOM 238 CA LYS A 14 -12.828 3.954 8.002 1.00 4.42 C ATOM 239 C LYS A 14 -11.775 4.722 7.212 1.00 3.77 C ATOM 240 O LYS A 14 -10.835 5.290 7.772 1.00 4.11 O ATOM 241 CB LYS A 14 -12.689 4.245 9.498 1.00 5.56 C ATOM 242 CG LYS A 14 -13.024 5.684 9.866 1.00 6.23 C ATOM 243 CD LYS A 14 -12.704 5.985 11.319 1.00 6.88 C ATOM 244 CE LYS A 14 -13.009 7.434 11.660 1.00 7.76 C ATOM 245 NZ LYS A 14 -12.270 8.382 10.782 1.00 8.26 N ATOM 0 H LYS A 14 -12.182 2.013 8.454 1.00 4.79 H new ATOM 0 HA LYS A 14 -13.825 4.272 7.697 1.00 4.42 H new ATOM 0 HB2 LYS A 14 -13.343 3.574 10.054 1.00 5.56 H new ATOM 0 HB3 LYS A 14 -11.668 4.026 9.810 1.00 5.56 H new ATOM 0 HG2 LYS A 14 -12.464 6.363 9.223 1.00 6.23 H new ATOM 0 HG3 LYS A 14 -14.082 5.869 9.681 1.00 6.23 H new ATOM 0 HD2 LYS A 14 -13.284 5.327 11.966 1.00 6.88 H new ATOM 0 HD3 LYS A 14 -11.652 5.777 11.513 1.00 6.88 H new ATOM 0 HE2 LYS A 14 -14.080 7.611 11.564 1.00 7.76 H new ATOM 0 HE3 LYS A 14 -12.747 7.624 12.701 1.00 7.76 H new ATOM 0 HZ1 LYS A 14 -12.285 9.332 11.206 1.00 8.26 H new ATOM 0 HZ2 LYS A 14 -11.285 8.064 10.680 1.00 8.26 H new ATOM 0 HZ3 LYS A 14 -12.723 8.413 9.846 1.00 8.26 H new ATOM 259 N GLN A 15 -11.921 4.698 5.901 1.00 3.29 N ATOM 260 CA GLN A 15 -10.957 5.307 5.011 1.00 3.10 C ATOM 261 C GLN A 15 -11.677 6.054 3.896 1.00 2.14 C ATOM 262 O GLN A 15 -11.793 7.279 3.952 1.00 2.46 O ATOM 263 CB GLN A 15 -10.027 4.231 4.440 1.00 3.83 C ATOM 264 CG GLN A 15 -8.997 4.762 3.461 1.00 4.82 C ATOM 265 CD GLN A 15 -8.043 3.691 2.979 1.00 5.82 C ATOM 266 OE1 GLN A 15 -6.989 3.469 3.573 1.00 6.53 O ATOM 267 NE2 GLN A 15 -8.403 3.025 1.895 1.00 6.14 N ATOM 0 H GLN A 15 -12.709 4.257 5.426 1.00 3.29 H new ATOM 0 HA GLN A 15 -10.353 6.025 5.566 1.00 3.10 H new ATOM 0 HB2 GLN A 15 -9.510 3.738 5.263 1.00 3.83 H new ATOM 0 HB3 GLN A 15 -10.630 3.472 3.941 1.00 3.83 H new ATOM 0 HG2 GLN A 15 -9.508 5.200 2.604 1.00 4.82 H new ATOM 0 HG3 GLN A 15 -8.429 5.562 3.936 1.00 4.82 H new ATOM 0 HE21 GLN A 15 -9.286 3.241 1.433 1.00 6.14 H new ATOM 0 HE22 GLN A 15 -7.797 2.295 1.520 1.00 6.14 H new ATOM 276 N ARG A 16 -12.182 5.298 2.916 1.00 1.86 N ATOM 277 CA ARG A 16 -12.931 5.847 1.784 1.00 1.88 C ATOM 278 C ARG A 16 -12.206 7.051 1.188 1.00 1.53 C ATOM 279 O ARG A 16 -12.567 8.200 1.445 1.00 1.61 O ATOM 280 CB ARG A 16 -14.349 6.231 2.227 1.00 2.83 C ATOM 281 CG ARG A 16 -15.402 6.175 1.120 1.00 3.53 C ATOM 282 CD ARG A 16 -15.225 7.272 0.079 1.00 4.61 C ATOM 283 NE ARG A 16 -15.380 8.611 0.653 1.00 5.06 N ATOM 284 CZ ARG A 16 -15.475 9.729 -0.068 1.00 6.06 C ATOM 285 NH1 ARG A 16 -15.457 9.678 -1.395 1.00 6.69 N ATOM 286 NH2 ARG A 16 -15.591 10.901 0.542 1.00 6.68 N ATOM 0 H ARG A 16 -12.082 4.283 2.887 1.00 1.86 H new ATOM 0 HA ARG A 16 -13.003 5.082 1.011 1.00 1.88 H new ATOM 0 HB2 ARG A 16 -14.655 5.566 3.035 1.00 2.83 H new ATOM 0 HB3 ARG A 16 -14.326 7.241 2.637 1.00 2.83 H new ATOM 0 HG2 ARG A 16 -15.354 5.203 0.628 1.00 3.53 H new ATOM 0 HG3 ARG A 16 -16.394 6.259 1.564 1.00 3.53 H new ATOM 0 HD2 ARG A 16 -14.237 7.185 -0.374 1.00 4.61 H new ATOM 0 HD3 ARG A 16 -15.955 7.134 -0.719 1.00 4.61 H new ATOM 0 HE ARG A 16 -15.418 8.693 1.669 1.00 5.06 H new ATOM 0 HH11 ARG A 16 -15.370 8.779 -1.870 1.00 6.69 H new ATOM 0 HH12 ARG A 16 -15.530 10.537 -1.939 1.00 6.69 H new ATOM 0 HH21 ARG A 16 -15.607 10.946 1.561 1.00 6.68 H new ATOM 0 HH22 ARG A 16 -15.664 11.757 -0.008 1.00 6.68 H new ATOM 300 N LYS A 17 -11.177 6.788 0.408 1.00 1.34 N ATOM 301 CA LYS A 17 -10.411 7.858 -0.197 1.00 1.09 C ATOM 302 C LYS A 17 -10.784 8.013 -1.661 1.00 1.00 C ATOM 303 O LYS A 17 -10.619 7.085 -2.455 1.00 1.08 O ATOM 304 CB LYS A 17 -8.914 7.572 -0.064 1.00 1.13 C ATOM 305 CG LYS A 17 -8.430 7.540 1.377 1.00 1.70 C ATOM 306 CD LYS A 17 -7.034 6.937 1.499 1.00 2.23 C ATOM 307 CE LYS A 17 -5.988 7.773 0.782 1.00 3.20 C ATOM 308 NZ LYS A 17 -5.860 9.131 1.372 1.00 3.96 N ATOM 0 H LYS A 17 -10.853 5.848 0.179 1.00 1.34 H new ATOM 0 HA LYS A 17 -10.641 8.788 0.322 1.00 1.09 H new ATOM 0 HB2 LYS A 17 -8.691 6.615 -0.535 1.00 1.13 H new ATOM 0 HB3 LYS A 17 -8.357 8.333 -0.610 1.00 1.13 H new ATOM 0 HG2 LYS A 17 -8.424 8.553 1.780 1.00 1.70 H new ATOM 0 HG3 LYS A 17 -9.129 6.961 1.981 1.00 1.70 H new ATOM 0 HD2 LYS A 17 -6.768 6.849 2.552 1.00 2.23 H new ATOM 0 HD3 LYS A 17 -7.037 5.928 1.086 1.00 2.23 H new ATOM 0 HE2 LYS A 17 -5.024 7.265 0.828 1.00 3.20 H new ATOM 0 HE3 LYS A 17 -6.253 7.859 -0.272 1.00 3.20 H new ATOM 0 HZ1 LYS A 17 -6.062 9.846 0.644 1.00 3.96 H new ATOM 0 HZ2 LYS A 17 -6.536 9.234 2.156 1.00 3.96 H new ATOM 0 HZ3 LYS A 17 -4.893 9.264 1.730 1.00 3.96 H new ATOM 322 N SER A 18 -11.252 9.196 -2.018 1.00 0.92 N ATOM 323 CA SER A 18 -11.577 9.497 -3.399 1.00 0.91 C ATOM 324 C SER A 18 -10.335 10.015 -4.098 1.00 0.80 C ATOM 325 O SER A 18 -9.361 10.353 -3.427 1.00 0.72 O ATOM 326 CB SER A 18 -12.689 10.542 -3.464 1.00 0.97 C ATOM 327 OG SER A 18 -12.287 11.748 -2.835 1.00 0.91 O ATOM 0 H SER A 18 -11.415 9.965 -1.368 1.00 0.92 H new ATOM 0 HA SER A 18 -11.926 8.591 -3.896 1.00 0.91 H new ATOM 0 HB2 SER A 18 -12.949 10.739 -4.504 1.00 0.97 H new ATOM 0 HB3 SER A 18 -13.586 10.156 -2.979 1.00 0.97 H new ATOM 0 HG SER A 18 -13.013 12.403 -2.890 1.00 0.91 H new ATOM 333 N LEU A 19 -10.360 10.091 -5.419 1.00 0.83 N ATOM 334 CA LEU A 19 -9.206 10.557 -6.176 1.00 0.79 C ATOM 335 C LEU A 19 -8.757 11.913 -5.650 1.00 0.74 C ATOM 336 O LEU A 19 -7.578 12.132 -5.360 1.00 0.66 O ATOM 337 CB LEU A 19 -9.553 10.650 -7.663 1.00 0.91 C ATOM 338 CG LEU A 19 -8.495 11.322 -8.537 1.00 0.95 C ATOM 339 CD1 LEU A 19 -7.200 10.520 -8.535 1.00 0.91 C ATOM 340 CD2 LEU A 19 -9.011 11.501 -9.956 1.00 1.11 C ATOM 0 H LEU A 19 -11.166 9.836 -5.990 1.00 0.83 H new ATOM 0 HA LEU A 19 -8.390 9.845 -6.056 1.00 0.79 H new ATOM 0 HB2 LEU A 19 -9.729 9.643 -8.042 1.00 0.91 H new ATOM 0 HB3 LEU A 19 -10.489 11.198 -7.768 1.00 0.91 H new ATOM 0 HG LEU A 19 -8.284 12.307 -8.119 1.00 0.95 H new ATOM 0 HD11 LEU A 19 -6.462 11.018 -9.164 1.00 0.91 H new ATOM 0 HD12 LEU A 19 -6.819 10.447 -7.517 1.00 0.91 H new ATOM 0 HD13 LEU A 19 -7.391 9.519 -8.923 1.00 0.91 H new ATOM 0 HD21 LEU A 19 -8.244 11.981 -10.564 1.00 1.11 H new ATOM 0 HD22 LEU A 19 -9.254 10.527 -10.381 1.00 1.11 H new ATOM 0 HD23 LEU A 19 -9.906 12.124 -9.942 1.00 1.11 H new ATOM 352 N ALA A 20 -9.727 12.798 -5.507 1.00 0.80 N ATOM 353 CA ALA A 20 -9.503 14.124 -4.961 1.00 0.81 C ATOM 354 C ALA A 20 -8.934 14.074 -3.546 1.00 0.72 C ATOM 355 O ALA A 20 -7.905 14.690 -3.271 1.00 0.71 O ATOM 356 CB ALA A 20 -10.804 14.903 -4.983 1.00 0.94 C ATOM 0 H ALA A 20 -10.696 12.616 -5.767 1.00 0.80 H new ATOM 0 HA ALA A 20 -8.762 14.626 -5.583 1.00 0.81 H new ATOM 0 HB1 ALA A 20 -10.638 15.899 -4.573 1.00 0.94 H new ATOM 0 HB2 ALA A 20 -11.160 14.987 -6.010 1.00 0.94 H new ATOM 0 HB3 ALA A 20 -11.550 14.383 -4.382 1.00 0.94 H new ATOM 362 N ILE A 21 -9.591 13.336 -2.652 1.00 0.71 N ATOM 363 CA ILE A 21 -9.126 13.239 -1.268 1.00 0.69 C ATOM 364 C ILE A 21 -7.715 12.659 -1.201 1.00 0.56 C ATOM 365 O ILE A 21 -6.915 13.034 -0.340 1.00 0.53 O ATOM 366 CB ILE A 21 -10.068 12.383 -0.393 1.00 0.82 C ATOM 367 CG1 ILE A 21 -11.415 13.088 -0.190 1.00 0.97 C ATOM 368 CG2 ILE A 21 -9.415 12.090 0.951 1.00 0.88 C ATOM 369 CD1 ILE A 21 -11.316 14.401 0.560 1.00 1.64 C ATOM 0 H ILE A 21 -10.436 12.803 -2.857 1.00 0.71 H new ATOM 0 HA ILE A 21 -9.122 14.256 -0.875 1.00 0.69 H new ATOM 0 HB ILE A 21 -10.252 11.440 -0.908 1.00 0.82 H new ATOM 0 HG12 ILE A 21 -11.868 13.271 -1.164 1.00 0.97 H new ATOM 0 HG13 ILE A 21 -12.085 12.421 0.353 1.00 0.97 H new ATOM 0 HG21 ILE A 21 -10.089 11.486 1.559 1.00 0.88 H new ATOM 0 HG22 ILE A 21 -8.484 11.546 0.792 1.00 0.88 H new ATOM 0 HG23 ILE A 21 -9.205 13.028 1.465 1.00 0.88 H new ATOM 0 HD11 ILE A 21 -12.310 14.837 0.663 1.00 1.64 H new ATOM 0 HD12 ILE A 21 -10.893 14.224 1.549 1.00 1.64 H new ATOM 0 HD13 ILE A 21 -10.674 15.088 0.008 1.00 1.64 H new ATOM 381 N ARG A 22 -7.402 11.760 -2.123 1.00 0.52 N ATOM 382 CA ARG A 22 -6.082 11.145 -2.155 1.00 0.44 C ATOM 383 C ARG A 22 -5.044 12.203 -2.482 1.00 0.40 C ATOM 384 O ARG A 22 -3.995 12.279 -1.845 1.00 0.39 O ATOM 385 CB ARG A 22 -6.023 10.009 -3.177 1.00 0.45 C ATOM 386 CG ARG A 22 -6.969 8.862 -2.873 1.00 0.71 C ATOM 387 CD ARG A 22 -7.001 7.841 -3.995 1.00 1.22 C ATOM 388 NE ARG A 22 -8.044 6.838 -3.791 1.00 1.53 N ATOM 389 CZ ARG A 22 -8.073 5.658 -4.407 1.00 2.00 C ATOM 390 NH1 ARG A 22 -7.113 5.321 -5.259 1.00 2.59 N ATOM 391 NH2 ARG A 22 -9.068 4.813 -4.167 1.00 2.26 N ATOM 0 H ARG A 22 -8.038 11.442 -2.854 1.00 0.52 H new ATOM 0 HA ARG A 22 -5.873 10.717 -1.175 1.00 0.44 H new ATOM 0 HB2 ARG A 22 -6.256 10.408 -4.164 1.00 0.45 H new ATOM 0 HB3 ARG A 22 -5.004 9.625 -3.221 1.00 0.45 H new ATOM 0 HG2 ARG A 22 -6.663 8.375 -1.947 1.00 0.71 H new ATOM 0 HG3 ARG A 22 -7.973 9.253 -2.710 1.00 0.71 H new ATOM 0 HD2 ARG A 22 -7.168 8.350 -4.944 1.00 1.22 H new ATOM 0 HD3 ARG A 22 -6.032 7.347 -4.064 1.00 1.22 H new ATOM 0 HE ARG A 22 -8.796 7.055 -3.137 1.00 1.53 H new ATOM 0 HH11 ARG A 22 -6.347 5.968 -5.445 1.00 2.59 H new ATOM 0 HH12 ARG A 22 -7.142 4.415 -5.727 1.00 2.59 H new ATOM 0 HH21 ARG A 22 -9.807 5.068 -3.512 1.00 2.26 H new ATOM 0 HH22 ARG A 22 -9.093 3.908 -4.637 1.00 2.26 H new ATOM 405 N GLN A 23 -5.376 13.045 -3.449 1.00 0.46 N ATOM 406 CA GLN A 23 -4.519 14.156 -3.825 1.00 0.51 C ATOM 407 C GLN A 23 -4.380 15.142 -2.671 1.00 0.50 C ATOM 408 O GLN A 23 -3.335 15.761 -2.505 1.00 0.52 O ATOM 409 CB GLN A 23 -5.084 14.877 -5.050 1.00 0.68 C ATOM 410 CG GLN A 23 -5.137 14.017 -6.302 1.00 1.29 C ATOM 411 CD GLN A 23 -5.749 14.748 -7.481 1.00 1.51 C ATOM 412 OE1 GLN A 23 -5.642 15.970 -7.595 1.00 2.16 O ATOM 413 NE2 GLN A 23 -6.398 14.007 -8.363 1.00 1.97 N ATOM 0 H GLN A 23 -6.238 12.978 -3.990 1.00 0.46 H new ATOM 0 HA GLN A 23 -3.535 13.755 -4.069 1.00 0.51 H new ATOM 0 HB2 GLN A 23 -6.090 15.229 -4.820 1.00 0.68 H new ATOM 0 HB3 GLN A 23 -4.476 15.759 -5.253 1.00 0.68 H new ATOM 0 HG2 GLN A 23 -4.128 13.696 -6.561 1.00 1.29 H new ATOM 0 HG3 GLN A 23 -5.716 13.116 -6.096 1.00 1.29 H new ATOM 0 HE21 GLN A 23 -6.463 12.998 -8.231 1.00 1.97 H new ATOM 0 HE22 GLN A 23 -6.833 14.445 -9.175 1.00 1.97 H new ATOM 422 N GLU A 24 -5.430 15.270 -1.865 1.00 0.53 N ATOM 423 CA GLU A 24 -5.428 16.217 -0.758 1.00 0.59 C ATOM 424 C GLU A 24 -4.557 15.729 0.383 1.00 0.55 C ATOM 425 O GLU A 24 -3.688 16.455 0.865 1.00 0.54 O ATOM 426 CB GLU A 24 -6.848 16.462 -0.262 1.00 0.71 C ATOM 427 CG GLU A 24 -7.701 17.259 -1.235 1.00 1.20 C ATOM 428 CD GLU A 24 -9.097 17.520 -0.714 1.00 2.01 C ATOM 429 OE1 GLU A 24 -9.228 17.969 0.445 1.00 2.83 O ATOM 430 OE2 GLU A 24 -10.068 17.310 -1.469 1.00 2.49 O ATOM 0 H GLU A 24 -6.291 14.731 -1.958 1.00 0.53 H new ATOM 0 HA GLU A 24 -5.013 17.155 -1.126 1.00 0.59 H new ATOM 0 HB2 GLU A 24 -7.329 15.502 -0.072 1.00 0.71 H new ATOM 0 HB3 GLU A 24 -6.806 16.992 0.690 1.00 0.71 H new ATOM 0 HG2 GLU A 24 -7.212 18.211 -1.444 1.00 1.20 H new ATOM 0 HG3 GLU A 24 -7.766 16.720 -2.180 1.00 1.20 H new ATOM 437 N GLU A 25 -4.797 14.503 0.816 1.00 0.56 N ATOM 438 CA GLU A 25 -4.004 13.914 1.879 1.00 0.56 C ATOM 439 C GLU A 25 -2.537 13.853 1.469 1.00 0.49 C ATOM 440 O GLU A 25 -1.659 14.226 2.241 1.00 0.50 O ATOM 441 CB GLU A 25 -4.526 12.519 2.235 1.00 0.62 C ATOM 442 CG GLU A 25 -3.817 11.892 3.427 1.00 1.29 C ATOM 443 CD GLU A 25 -4.460 10.596 3.871 1.00 1.57 C ATOM 444 OE1 GLU A 25 -4.173 9.546 3.263 1.00 2.30 O ATOM 445 OE2 GLU A 25 -5.277 10.628 4.816 1.00 1.87 O ATOM 0 H GLU A 25 -5.532 13.899 0.449 1.00 0.56 H new ATOM 0 HA GLU A 25 -4.090 14.542 2.765 1.00 0.56 H new ATOM 0 HB2 GLU A 25 -5.593 12.583 2.449 1.00 0.62 H new ATOM 0 HB3 GLU A 25 -4.413 11.866 1.370 1.00 0.62 H new ATOM 0 HG2 GLU A 25 -2.775 11.706 3.168 1.00 1.29 H new ATOM 0 HG3 GLU A 25 -3.818 12.597 4.258 1.00 1.29 H new ATOM 452 N VAL A 26 -2.279 13.416 0.240 1.00 0.44 N ATOM 453 CA VAL A 26 -0.916 13.336 -0.271 1.00 0.42 C ATOM 454 C VAL A 26 -0.288 14.728 -0.335 1.00 0.44 C ATOM 455 O VAL A 26 0.897 14.898 -0.054 1.00 0.46 O ATOM 456 CB VAL A 26 -0.875 12.650 -1.660 1.00 0.43 C ATOM 457 CG1 VAL A 26 -0.762 13.639 -2.814 1.00 1.21 C ATOM 458 CG2 VAL A 26 0.248 11.627 -1.714 1.00 0.85 C ATOM 0 H VAL A 26 -2.996 13.112 -0.419 1.00 0.44 H new ATOM 0 HA VAL A 26 -0.333 12.724 0.417 1.00 0.42 H new ATOM 0 HB VAL A 26 -1.831 12.141 -1.786 1.00 0.43 H new ATOM 0 HG11 VAL A 26 -0.738 13.095 -3.758 1.00 1.21 H new ATOM 0 HG12 VAL A 26 -1.621 14.310 -2.803 1.00 1.21 H new ATOM 0 HG13 VAL A 26 0.154 14.220 -2.707 1.00 1.21 H new ATOM 0 HG21 VAL A 26 0.263 11.154 -2.696 1.00 0.85 H new ATOM 0 HG22 VAL A 26 1.202 12.124 -1.536 1.00 0.85 H new ATOM 0 HG23 VAL A 26 0.086 10.868 -0.949 1.00 0.85 H new ATOM 468 N ALA A 27 -1.099 15.714 -0.696 1.00 0.46 N ATOM 469 CA ALA A 27 -0.659 17.107 -0.719 1.00 0.51 C ATOM 470 C ALA A 27 -0.247 17.562 0.674 1.00 0.54 C ATOM 471 O ALA A 27 0.801 18.188 0.852 1.00 0.59 O ATOM 472 CB ALA A 27 -1.758 18.012 -1.260 1.00 0.55 C ATOM 0 H ALA A 27 -2.069 15.576 -0.978 1.00 0.46 H new ATOM 0 HA ALA A 27 0.205 17.176 -1.380 1.00 0.51 H new ATOM 0 HB1 ALA A 27 -1.408 19.044 -1.268 1.00 0.55 H new ATOM 0 HB2 ALA A 27 -2.013 17.707 -2.275 1.00 0.55 H new ATOM 0 HB3 ALA A 27 -2.640 17.933 -0.625 1.00 0.55 H new ATOM 478 N GLY A 28 -1.082 17.247 1.655 1.00 0.54 N ATOM 479 CA GLY A 28 -0.758 17.560 3.033 1.00 0.59 C ATOM 480 C GLY A 28 0.480 16.825 3.508 1.00 0.58 C ATOM 481 O GLY A 28 1.380 17.426 4.091 1.00 0.65 O ATOM 0 H GLY A 28 -1.979 16.780 1.521 1.00 0.54 H new ATOM 0 HA2 GLY A 28 -0.602 18.634 3.134 1.00 0.59 H new ATOM 0 HA3 GLY A 28 -1.602 17.299 3.672 1.00 0.59 H new ATOM 485 N ILE A 29 0.531 15.525 3.233 1.00 0.52 N ATOM 486 CA ILE A 29 1.659 14.689 3.630 1.00 0.53 C ATOM 487 C ILE A 29 2.967 15.197 3.028 1.00 0.53 C ATOM 488 O ILE A 29 3.964 15.332 3.732 1.00 0.58 O ATOM 489 CB ILE A 29 1.443 13.215 3.213 1.00 0.51 C ATOM 490 CG1 ILE A 29 0.235 12.628 3.947 1.00 0.53 C ATOM 491 CG2 ILE A 29 2.690 12.386 3.494 1.00 0.57 C ATOM 492 CD1 ILE A 29 -0.197 11.276 3.422 1.00 0.53 C ATOM 0 H ILE A 29 -0.203 15.024 2.732 1.00 0.52 H new ATOM 0 HA ILE A 29 1.724 14.744 4.717 1.00 0.53 H new ATOM 0 HB ILE A 29 1.249 13.186 2.141 1.00 0.51 H new ATOM 0 HG12 ILE A 29 0.474 12.537 5.007 1.00 0.53 H new ATOM 0 HG13 ILE A 29 -0.601 13.323 3.867 1.00 0.53 H new ATOM 0 HG21 ILE A 29 2.516 11.353 3.193 1.00 0.57 H new ATOM 0 HG22 ILE A 29 3.531 12.791 2.931 1.00 0.57 H new ATOM 0 HG23 ILE A 29 2.917 12.420 4.560 1.00 0.57 H new ATOM 0 HD11 ILE A 29 -1.058 10.923 3.990 1.00 0.53 H new ATOM 0 HD12 ILE A 29 -0.468 11.364 2.370 1.00 0.53 H new ATOM 0 HD13 ILE A 29 0.623 10.566 3.527 1.00 0.53 H new ATOM 504 N ARG A 30 2.953 15.490 1.731 1.00 0.53 N ATOM 505 CA ARG A 30 4.150 15.964 1.042 1.00 0.59 C ATOM 506 C ARG A 30 4.666 17.263 1.646 1.00 0.67 C ATOM 507 O ARG A 30 5.873 17.457 1.782 1.00 0.74 O ATOM 508 CB ARG A 30 3.876 16.161 -0.452 1.00 0.66 C ATOM 509 CG ARG A 30 3.851 14.864 -1.245 1.00 1.04 C ATOM 510 CD ARG A 30 3.537 15.111 -2.714 1.00 1.50 C ATOM 511 NE ARG A 30 4.430 16.105 -3.316 1.00 1.96 N ATOM 512 CZ ARG A 30 5.193 15.883 -4.391 1.00 2.66 C ATOM 513 NH1 ARG A 30 5.221 14.684 -4.965 1.00 3.06 N ATOM 514 NH2 ARG A 30 5.939 16.863 -4.889 1.00 3.31 N ATOM 0 H ARG A 30 2.128 15.408 1.137 1.00 0.53 H new ATOM 0 HA ARG A 30 4.917 15.200 1.166 1.00 0.59 H new ATOM 0 HB2 ARG A 30 2.919 16.669 -0.573 1.00 0.66 H new ATOM 0 HB3 ARG A 30 4.640 16.817 -0.869 1.00 0.66 H new ATOM 0 HG2 ARG A 30 4.816 14.365 -1.158 1.00 1.04 H new ATOM 0 HG3 ARG A 30 3.105 14.192 -0.821 1.00 1.04 H new ATOM 0 HD2 ARG A 30 3.619 14.173 -3.263 1.00 1.50 H new ATOM 0 HD3 ARG A 30 2.505 15.448 -2.811 1.00 1.50 H new ATOM 0 HE ARG A 30 4.472 17.029 -2.886 1.00 1.96 H new ATOM 0 HH11 ARG A 30 4.657 13.924 -4.585 1.00 3.06 H new ATOM 0 HH12 ARG A 30 5.806 14.525 -5.785 1.00 3.06 H new ATOM 0 HH21 ARG A 30 5.929 17.784 -4.451 1.00 3.31 H new ATOM 0 HH22 ARG A 30 6.521 16.694 -5.709 1.00 3.31 H new ATOM 528 N ALA A 31 3.751 18.146 2.015 1.00 0.69 N ATOM 529 CA ALA A 31 4.122 19.442 2.563 1.00 0.81 C ATOM 530 C ALA A 31 4.547 19.329 4.023 1.00 0.80 C ATOM 531 O ALA A 31 5.517 19.961 4.450 1.00 0.90 O ATOM 532 CB ALA A 31 2.964 20.417 2.423 1.00 0.91 C ATOM 0 H ALA A 31 2.746 17.989 1.945 1.00 0.69 H new ATOM 0 HA ALA A 31 4.976 19.816 1.998 1.00 0.81 H new ATOM 0 HB1 ALA A 31 3.251 21.384 2.836 1.00 0.91 H new ATOM 0 HB2 ALA A 31 2.711 20.533 1.369 1.00 0.91 H new ATOM 0 HB3 ALA A 31 2.098 20.034 2.964 1.00 0.91 H new ATOM 538 N LYS A 32 3.826 18.513 4.779 1.00 0.71 N ATOM 539 CA LYS A 32 4.061 18.384 6.210 1.00 0.74 C ATOM 540 C LYS A 32 5.259 17.483 6.496 1.00 0.67 C ATOM 541 O LYS A 32 6.010 17.716 7.447 1.00 0.67 O ATOM 542 CB LYS A 32 2.807 17.832 6.890 1.00 0.78 C ATOM 543 CG LYS A 32 2.863 17.865 8.405 1.00 1.55 C ATOM 544 CD LYS A 32 1.547 17.414 9.012 1.00 1.87 C ATOM 545 CE LYS A 32 1.573 17.504 10.526 1.00 2.30 C ATOM 546 NZ LYS A 32 0.265 17.134 11.125 1.00 3.00 N ATOM 0 H LYS A 32 3.070 17.928 4.423 1.00 0.71 H new ATOM 0 HA LYS A 32 4.286 19.372 6.612 1.00 0.74 H new ATOM 0 HB2 LYS A 32 1.942 18.406 6.556 1.00 0.78 H new ATOM 0 HB3 LYS A 32 2.652 16.803 6.564 1.00 0.78 H new ATOM 0 HG2 LYS A 32 3.669 17.220 8.756 1.00 1.55 H new ATOM 0 HG3 LYS A 32 3.094 18.876 8.741 1.00 1.55 H new ATOM 0 HD2 LYS A 32 0.736 18.030 8.624 1.00 1.87 H new ATOM 0 HD3 LYS A 32 1.339 16.387 8.711 1.00 1.87 H new ATOM 0 HE2 LYS A 32 2.350 16.846 10.916 1.00 2.30 H new ATOM 0 HE3 LYS A 32 1.835 18.519 10.825 1.00 2.30 H new ATOM 0 HZ1 LYS A 32 0.324 17.208 12.161 1.00 3.00 H new ATOM 0 HZ2 LYS A 32 -0.472 17.778 10.773 1.00 3.00 H new ATOM 0 HZ3 LYS A 32 0.026 16.157 10.861 1.00 3.00 H new ATOM 560 N PHE A 33 5.437 16.456 5.678 1.00 0.62 N ATOM 561 CA PHE A 33 6.538 15.520 5.852 1.00 0.56 C ATOM 562 C PHE A 33 7.281 15.315 4.533 1.00 0.50 C ATOM 563 O PHE A 33 7.049 14.330 3.834 1.00 0.47 O ATOM 564 CB PHE A 33 6.027 14.165 6.355 1.00 0.56 C ATOM 565 CG PHE A 33 5.193 14.234 7.602 1.00 0.68 C ATOM 566 CD1 PHE A 33 5.774 14.513 8.827 1.00 1.42 C ATOM 567 CD2 PHE A 33 3.828 14.005 7.548 1.00 1.21 C ATOM 568 CE1 PHE A 33 5.008 14.564 9.976 1.00 1.49 C ATOM 569 CE2 PHE A 33 3.056 14.056 8.693 1.00 1.30 C ATOM 570 CZ PHE A 33 3.648 14.335 9.909 1.00 0.93 C ATOM 0 H PHE A 33 4.831 16.249 4.884 1.00 0.62 H new ATOM 0 HA PHE A 33 7.219 15.943 6.591 1.00 0.56 H new ATOM 0 HB2 PHE A 33 5.438 13.698 5.566 1.00 0.56 H new ATOM 0 HB3 PHE A 33 6.882 13.516 6.541 1.00 0.56 H new ATOM 0 HD1 PHE A 33 6.837 14.693 8.885 1.00 1.42 H new ATOM 0 HD2 PHE A 33 3.361 13.784 6.599 1.00 1.21 H new ATOM 0 HE1 PHE A 33 5.473 14.783 10.926 1.00 1.49 H new ATOM 0 HE2 PHE A 33 1.992 13.878 8.637 1.00 1.30 H new ATOM 0 HZ PHE A 33 3.048 14.374 10.806 1.00 0.93 H new ATOM 580 N PRO A 34 8.189 16.237 4.170 1.00 0.55 N ATOM 581 CA PRO A 34 8.956 16.144 2.920 1.00 0.55 C ATOM 582 C PRO A 34 9.859 14.912 2.870 1.00 0.48 C ATOM 583 O PRO A 34 10.208 14.421 1.793 1.00 0.52 O ATOM 584 CB PRO A 34 9.806 17.418 2.919 1.00 0.68 C ATOM 585 CG PRO A 34 9.852 17.856 4.341 1.00 0.74 C ATOM 586 CD PRO A 34 8.537 17.447 4.936 1.00 0.66 C ATOM 0 HA PRO A 34 8.297 16.050 2.057 1.00 0.55 H new ATOM 0 HB2 PRO A 34 10.807 17.223 2.534 1.00 0.68 H new ATOM 0 HB3 PRO A 34 9.364 18.186 2.284 1.00 0.68 H new ATOM 0 HG2 PRO A 34 10.683 17.387 4.868 1.00 0.74 H new ATOM 0 HG3 PRO A 34 9.996 18.934 4.414 1.00 0.74 H new ATOM 0 HD2 PRO A 34 8.624 17.239 6.002 1.00 0.66 H new ATOM 0 HD3 PRO A 34 7.783 18.226 4.824 1.00 0.66 H new ATOM 594 N ASN A 35 10.231 14.414 4.038 1.00 0.44 N ATOM 595 CA ASN A 35 11.138 13.276 4.132 1.00 0.44 C ATOM 596 C ASN A 35 10.378 11.955 4.143 1.00 0.38 C ATOM 597 O ASN A 35 10.979 10.889 4.030 1.00 0.43 O ATOM 598 CB ASN A 35 11.996 13.382 5.393 1.00 0.54 C ATOM 599 CG ASN A 35 12.875 14.617 5.404 1.00 1.32 C ATOM 600 OD1 ASN A 35 12.452 15.688 5.838 1.00 2.16 O ATOM 601 ND2 ASN A 35 14.108 14.475 4.944 1.00 1.83 N ATOM 0 H ASN A 35 9.919 14.779 4.938 1.00 0.44 H new ATOM 0 HA ASN A 35 11.780 13.296 3.251 1.00 0.44 H new ATOM 0 HB2 ASN A 35 11.347 13.396 6.268 1.00 0.54 H new ATOM 0 HB3 ASN A 35 12.623 12.494 5.476 1.00 0.54 H new ATOM 0 HD21 ASN A 35 14.746 15.271 4.941 1.00 1.83 H new ATOM 0 HD22 ASN A 35 14.420 13.570 4.593 1.00 1.83 H new ATOM 608 N LYS A 36 9.061 12.024 4.280 1.00 0.36 N ATOM 609 CA LYS A 36 8.243 10.818 4.352 1.00 0.40 C ATOM 610 C LYS A 36 7.444 10.616 3.070 1.00 0.36 C ATOM 611 O LYS A 36 7.089 11.575 2.386 1.00 0.56 O ATOM 612 CB LYS A 36 7.287 10.863 5.552 1.00 0.54 C ATOM 613 CG LYS A 36 7.934 10.531 6.893 1.00 0.89 C ATOM 614 CD LYS A 36 8.990 11.548 7.301 1.00 1.58 C ATOM 615 CE LYS A 36 9.573 11.231 8.669 1.00 1.56 C ATOM 616 NZ LYS A 36 10.195 9.880 8.716 1.00 2.03 N ATOM 0 H LYS A 36 8.537 12.897 4.343 1.00 0.36 H new ATOM 0 HA LYS A 36 8.925 9.977 4.478 1.00 0.40 H new ATOM 0 HB2 LYS A 36 6.847 11.859 5.612 1.00 0.54 H new ATOM 0 HB3 LYS A 36 6.470 10.164 5.375 1.00 0.54 H new ATOM 0 HG2 LYS A 36 7.163 10.484 7.662 1.00 0.89 H new ATOM 0 HG3 LYS A 36 8.389 9.542 6.838 1.00 0.89 H new ATOM 0 HD2 LYS A 36 9.788 11.562 6.559 1.00 1.58 H new ATOM 0 HD3 LYS A 36 8.550 12.545 7.315 1.00 1.58 H new ATOM 0 HE2 LYS A 36 10.320 11.982 8.927 1.00 1.56 H new ATOM 0 HE3 LYS A 36 8.786 11.293 9.421 1.00 1.56 H new ATOM 0 HZ1 LYS A 36 10.907 9.852 9.473 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 9.462 9.167 8.903 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 10.651 9.676 7.804 1.00 2.03 H new ATOM 630 N ILE A 37 7.175 9.361 2.754 1.00 0.26 N ATOM 631 CA ILE A 37 6.412 9.004 1.571 1.00 0.27 C ATOM 632 C ILE A 37 5.297 8.027 1.940 1.00 0.24 C ATOM 633 O ILE A 37 5.546 7.002 2.579 1.00 0.26 O ATOM 634 CB ILE A 37 7.326 8.379 0.495 1.00 0.37 C ATOM 635 CG1 ILE A 37 8.373 9.405 0.045 1.00 0.42 C ATOM 636 CG2 ILE A 37 6.509 7.882 -0.692 1.00 0.45 C ATOM 637 CD1 ILE A 37 9.402 8.855 -0.914 1.00 0.58 C ATOM 0 H ILE A 37 7.479 8.562 3.310 1.00 0.26 H new ATOM 0 HA ILE A 37 5.971 9.913 1.162 1.00 0.27 H new ATOM 0 HB ILE A 37 7.838 7.519 0.927 1.00 0.37 H new ATOM 0 HG12 ILE A 37 7.864 10.245 -0.428 1.00 0.42 H new ATOM 0 HG13 ILE A 37 8.884 9.796 0.925 1.00 0.42 H new ATOM 0 HG21 ILE A 37 7.176 7.446 -1.436 1.00 0.45 H new ATOM 0 HG22 ILE A 37 5.799 7.127 -0.354 1.00 0.45 H new ATOM 0 HG23 ILE A 37 5.967 8.717 -1.136 1.00 0.45 H new ATOM 0 HD11 ILE A 37 10.106 9.643 -1.184 1.00 0.58 H new ATOM 0 HD12 ILE A 37 9.940 8.035 -0.439 1.00 0.58 H new ATOM 0 HD13 ILE A 37 8.904 8.490 -1.812 1.00 0.58 H new ATOM 649 N PRO A 38 4.050 8.353 1.571 1.00 0.27 N ATOM 650 CA PRO A 38 2.894 7.507 1.858 1.00 0.30 C ATOM 651 C PRO A 38 2.732 6.360 0.858 1.00 0.25 C ATOM 652 O PRO A 38 2.464 6.572 -0.332 1.00 0.26 O ATOM 653 CB PRO A 38 1.726 8.483 1.757 1.00 0.44 C ATOM 654 CG PRO A 38 2.164 9.501 0.757 1.00 0.53 C ATOM 655 CD PRO A 38 3.666 9.587 0.858 1.00 0.36 C ATOM 0 HA PRO A 38 2.979 7.011 2.825 1.00 0.30 H new ATOM 0 HB2 PRO A 38 0.816 7.978 1.434 1.00 0.44 H new ATOM 0 HB3 PRO A 38 1.511 8.943 2.721 1.00 0.44 H new ATOM 0 HG2 PRO A 38 1.859 9.212 -0.249 1.00 0.53 H new ATOM 0 HG3 PRO A 38 1.706 10.468 0.963 1.00 0.53 H new ATOM 0 HD2 PRO A 38 4.129 9.639 -0.127 1.00 0.36 H new ATOM 0 HD3 PRO A 38 3.979 10.477 1.404 1.00 0.36 H new ATOM 663 N VAL A 39 2.908 5.144 1.344 1.00 0.23 N ATOM 664 CA VAL A 39 2.721 3.964 0.521 1.00 0.22 C ATOM 665 C VAL A 39 1.475 3.206 0.969 1.00 0.22 C ATOM 666 O VAL A 39 1.106 3.233 2.147 1.00 0.25 O ATOM 667 CB VAL A 39 3.952 3.027 0.567 1.00 0.25 C ATOM 668 CG1 VAL A 39 5.215 3.772 0.160 1.00 1.39 C ATOM 669 CG2 VAL A 39 4.122 2.414 1.948 1.00 1.28 C ATOM 0 H VAL A 39 3.181 4.948 2.307 1.00 0.23 H new ATOM 0 HA VAL A 39 2.597 4.298 -0.509 1.00 0.22 H new ATOM 0 HB VAL A 39 3.781 2.220 -0.146 1.00 0.25 H new ATOM 0 HG11 VAL A 39 6.067 3.093 0.200 1.00 1.39 H new ATOM 0 HG12 VAL A 39 5.102 4.153 -0.855 1.00 1.39 H new ATOM 0 HG13 VAL A 39 5.382 4.605 0.843 1.00 1.39 H new ATOM 0 HG21 VAL A 39 4.994 1.760 1.951 1.00 1.28 H new ATOM 0 HG22 VAL A 39 4.260 3.207 2.683 1.00 1.28 H new ATOM 0 HG23 VAL A 39 3.234 1.835 2.201 1.00 1.28 H new ATOM 679 N VAL A 40 0.816 2.556 0.027 1.00 0.26 N ATOM 680 CA VAL A 40 -0.373 1.772 0.319 1.00 0.28 C ATOM 681 C VAL A 40 -0.124 0.315 -0.041 1.00 0.28 C ATOM 682 O VAL A 40 0.045 -0.022 -1.213 1.00 0.34 O ATOM 683 CB VAL A 40 -1.605 2.288 -0.458 1.00 0.33 C ATOM 684 CG1 VAL A 40 -2.853 1.515 -0.062 1.00 0.38 C ATOM 685 CG2 VAL A 40 -1.803 3.780 -0.229 1.00 0.40 C ATOM 0 H VAL A 40 1.087 2.555 -0.956 1.00 0.26 H new ATOM 0 HA VAL A 40 -0.582 1.868 1.385 1.00 0.28 H new ATOM 0 HB VAL A 40 -1.426 2.128 -1.521 1.00 0.33 H new ATOM 0 HG11 VAL A 40 -3.709 1.894 -0.621 1.00 0.38 H new ATOM 0 HG12 VAL A 40 -2.713 0.458 -0.287 1.00 0.38 H new ATOM 0 HG13 VAL A 40 -3.034 1.638 1.006 1.00 0.38 H new ATOM 0 HG21 VAL A 40 -2.676 4.121 -0.786 1.00 0.40 H new ATOM 0 HG22 VAL A 40 -1.954 3.968 0.834 1.00 0.40 H new ATOM 0 HG23 VAL A 40 -0.921 4.321 -0.571 1.00 0.40 H new ATOM 695 N VAL A 41 -0.086 -0.540 0.965 1.00 0.30 N ATOM 696 CA VAL A 41 0.204 -1.948 0.757 1.00 0.32 C ATOM 697 C VAL A 41 -1.076 -2.773 0.812 1.00 0.44 C ATOM 698 O VAL A 41 -1.757 -2.820 1.838 1.00 0.64 O ATOM 699 CB VAL A 41 1.208 -2.480 1.802 1.00 0.47 C ATOM 700 CG1 VAL A 41 1.552 -3.935 1.529 1.00 0.50 C ATOM 701 CG2 VAL A 41 2.468 -1.627 1.815 1.00 1.03 C ATOM 0 H VAL A 41 -0.253 -0.283 1.938 1.00 0.30 H new ATOM 0 HA VAL A 41 0.653 -2.044 -0.231 1.00 0.32 H new ATOM 0 HB VAL A 41 0.740 -2.420 2.785 1.00 0.47 H new ATOM 0 HG11 VAL A 41 2.261 -4.288 2.278 1.00 0.50 H new ATOM 0 HG12 VAL A 41 0.645 -4.538 1.575 1.00 0.50 H new ATOM 0 HG13 VAL A 41 1.997 -4.024 0.538 1.00 0.50 H new ATOM 0 HG21 VAL A 41 3.164 -2.017 2.558 1.00 1.03 H new ATOM 0 HG22 VAL A 41 2.935 -1.653 0.831 1.00 1.03 H new ATOM 0 HG23 VAL A 41 2.209 -0.599 2.066 1.00 1.03 H new ATOM 711 N GLU A 42 -1.396 -3.413 -0.299 1.00 0.44 N ATOM 712 CA GLU A 42 -2.585 -4.240 -0.393 1.00 0.64 C ATOM 713 C GLU A 42 -2.191 -5.703 -0.522 1.00 0.47 C ATOM 714 O GLU A 42 -1.117 -6.025 -1.041 1.00 0.36 O ATOM 715 CB GLU A 42 -3.431 -3.814 -1.595 1.00 0.94 C ATOM 716 CG GLU A 42 -2.700 -3.906 -2.925 1.00 1.44 C ATOM 717 CD GLU A 42 -3.564 -3.496 -4.096 1.00 1.67 C ATOM 718 OE1 GLU A 42 -3.658 -2.279 -4.375 1.00 2.43 O ATOM 719 OE2 GLU A 42 -4.159 -4.384 -4.744 1.00 1.86 O ATOM 0 H GLU A 42 -0.843 -3.375 -1.155 1.00 0.44 H new ATOM 0 HA GLU A 42 -3.176 -4.112 0.514 1.00 0.64 H new ATOM 0 HB2 GLU A 42 -4.324 -4.438 -1.638 1.00 0.94 H new ATOM 0 HB3 GLU A 42 -3.766 -2.788 -1.446 1.00 0.94 H new ATOM 0 HG2 GLU A 42 -1.814 -3.271 -2.893 1.00 1.44 H new ATOM 0 HG3 GLU A 42 -2.354 -4.929 -3.075 1.00 1.44 H new ATOM 726 N ARG A 43 -3.047 -6.588 -0.035 1.00 0.54 N ATOM 727 CA ARG A 43 -2.773 -8.010 -0.112 1.00 0.47 C ATOM 728 C ARG A 43 -3.088 -8.520 -1.509 1.00 0.50 C ATOM 729 O ARG A 43 -4.017 -8.043 -2.164 1.00 0.60 O ATOM 730 CB ARG A 43 -3.575 -8.789 0.940 1.00 0.64 C ATOM 731 CG ARG A 43 -5.053 -8.935 0.623 1.00 1.11 C ATOM 732 CD ARG A 43 -5.780 -9.713 1.707 1.00 1.08 C ATOM 733 NE ARG A 43 -5.156 -11.013 1.970 1.00 1.40 N ATOM 734 CZ ARG A 43 -5.830 -12.158 2.110 1.00 1.48 C ATOM 735 NH1 ARG A 43 -7.151 -12.185 1.981 1.00 1.49 N ATOM 736 NH2 ARG A 43 -5.177 -13.279 2.384 1.00 2.32 N ATOM 0 H ARG A 43 -3.930 -6.347 0.414 1.00 0.54 H new ATOM 0 HA ARG A 43 -1.715 -8.169 0.096 1.00 0.47 H new ATOM 0 HB2 ARG A 43 -3.140 -9.782 1.048 1.00 0.64 H new ATOM 0 HB3 ARG A 43 -3.470 -8.288 1.903 1.00 0.64 H new ATOM 0 HG2 ARG A 43 -5.503 -7.948 0.518 1.00 1.11 H new ATOM 0 HG3 ARG A 43 -5.173 -9.443 -0.334 1.00 1.11 H new ATOM 0 HD2 ARG A 43 -5.794 -9.126 2.626 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -6.818 -9.864 1.409 1.00 1.08 H new ATOM 0 HE ARG A 43 -4.140 -11.046 2.052 1.00 1.40 H new ATOM 0 HH11 ARG A 43 -7.661 -11.326 1.773 1.00 1.49 H new ATOM 0 HH12 ARG A 43 -7.656 -13.064 2.090 1.00 1.49 H new ATOM 0 HH21 ARG A 43 -4.162 -13.266 2.487 1.00 2.32 H new ATOM 0 HH22 ARG A 43 -5.689 -14.154 2.491 1.00 2.32 H new ATOM 750 N TYR A 44 -2.289 -9.469 -1.965 1.00 0.51 N ATOM 751 CA TYR A 44 -2.457 -10.048 -3.286 1.00 0.65 C ATOM 752 C TYR A 44 -3.787 -10.798 -3.358 1.00 0.80 C ATOM 753 O TYR A 44 -4.049 -11.680 -2.542 1.00 0.91 O ATOM 754 CB TYR A 44 -1.291 -10.991 -3.569 1.00 0.80 C ATOM 755 CG TYR A 44 -0.985 -11.177 -5.034 1.00 0.93 C ATOM 756 CD1 TYR A 44 -0.165 -10.279 -5.700 1.00 1.61 C ATOM 757 CD2 TYR A 44 -1.507 -12.243 -5.748 1.00 1.45 C ATOM 758 CE1 TYR A 44 0.127 -10.433 -7.036 1.00 1.74 C ATOM 759 CE2 TYR A 44 -1.221 -12.407 -7.088 1.00 1.53 C ATOM 760 CZ TYR A 44 -0.403 -11.501 -7.728 1.00 1.23 C ATOM 761 OH TYR A 44 -0.126 -11.660 -9.065 1.00 1.40 O ATOM 0 H TYR A 44 -1.510 -9.858 -1.434 1.00 0.51 H new ATOM 0 HA TYR A 44 -2.468 -9.259 -4.038 1.00 0.65 H new ATOM 0 HB2 TYR A 44 -0.401 -10.609 -3.069 1.00 0.80 H new ATOM 0 HB3 TYR A 44 -1.511 -11.964 -3.129 1.00 0.80 H new ATOM 0 HD1 TYR A 44 0.253 -9.442 -5.160 1.00 1.61 H new ATOM 0 HD2 TYR A 44 -2.147 -12.956 -5.249 1.00 1.45 H new ATOM 0 HE1 TYR A 44 0.767 -9.722 -7.539 1.00 1.74 H new ATOM 0 HE2 TYR A 44 -1.636 -13.242 -7.633 1.00 1.53 H new ATOM 0 HH TYR A 44 0.834 -11.815 -9.184 1.00 1.40 H new ATOM 771 N PRO A 45 -4.651 -10.442 -4.329 1.00 0.96 N ATOM 772 CA PRO A 45 -5.997 -11.025 -4.462 1.00 1.22 C ATOM 773 C PRO A 45 -5.985 -12.539 -4.654 1.00 1.26 C ATOM 774 O PRO A 45 -6.962 -13.218 -4.342 1.00 1.48 O ATOM 775 CB PRO A 45 -6.568 -10.342 -5.706 1.00 1.41 C ATOM 776 CG PRO A 45 -5.775 -9.093 -5.858 1.00 1.32 C ATOM 777 CD PRO A 45 -4.398 -9.420 -5.362 1.00 1.05 C ATOM 0 HA PRO A 45 -6.582 -10.865 -3.556 1.00 1.22 H new ATOM 0 HB2 PRO A 45 -6.473 -10.979 -6.585 1.00 1.41 H new ATOM 0 HB3 PRO A 45 -7.629 -10.124 -5.584 1.00 1.41 H new ATOM 0 HG2 PRO A 45 -5.749 -8.770 -6.899 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -6.215 -8.278 -5.283 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -3.762 -9.802 -6.160 1.00 1.05 H new ATOM 0 HD3 PRO A 45 -3.899 -8.543 -4.949 1.00 1.05 H new ATOM 785 N ARG A 46 -4.884 -13.065 -5.168 1.00 1.19 N ATOM 786 CA ARG A 46 -4.756 -14.501 -5.378 1.00 1.41 C ATOM 787 C ARG A 46 -4.102 -15.166 -4.170 1.00 1.33 C ATOM 788 O ARG A 46 -4.137 -16.389 -4.029 1.00 1.52 O ATOM 789 CB ARG A 46 -3.957 -14.805 -6.652 1.00 1.62 C ATOM 790 CG ARG A 46 -4.751 -14.644 -7.946 1.00 2.05 C ATOM 791 CD ARG A 46 -5.068 -13.186 -8.266 1.00 2.15 C ATOM 792 NE ARG A 46 -3.894 -12.463 -8.755 1.00 2.69 N ATOM 793 CZ ARG A 46 -3.905 -11.187 -9.148 1.00 3.29 C ATOM 794 NH1 ARG A 46 -5.025 -10.476 -9.087 1.00 3.38 N ATOM 795 NH2 ARG A 46 -2.793 -10.622 -9.606 1.00 4.16 N ATOM 0 H ARG A 46 -4.067 -12.522 -5.447 1.00 1.19 H new ATOM 0 HA ARG A 46 -5.759 -14.910 -5.501 1.00 1.41 H new ATOM 0 HB2 ARG A 46 -3.089 -14.147 -6.688 1.00 1.62 H new ATOM 0 HB3 ARG A 46 -3.580 -15.826 -6.595 1.00 1.62 H new ATOM 0 HG2 ARG A 46 -4.185 -15.078 -8.771 1.00 2.05 H new ATOM 0 HG3 ARG A 46 -5.682 -15.205 -7.868 1.00 2.05 H new ATOM 0 HD2 ARG A 46 -5.858 -13.143 -9.016 1.00 2.15 H new ATOM 0 HD3 ARG A 46 -5.450 -12.694 -7.372 1.00 2.15 H new ATOM 0 HE ARG A 46 -3.008 -12.967 -8.799 1.00 2.69 H new ATOM 0 HH11 ARG A 46 -5.883 -10.904 -8.739 1.00 3.38 H new ATOM 0 HH12 ARG A 46 -5.028 -9.502 -9.389 1.00 3.38 H new ATOM 0 HH21 ARG A 46 -1.930 -11.163 -9.658 1.00 4.16 H new ATOM 0 HH22 ARG A 46 -2.802 -9.647 -9.906 1.00 4.16 H new ATOM 809 N GLU A 47 -3.529 -14.352 -3.291 1.00 1.17 N ATOM 810 CA GLU A 47 -2.847 -14.853 -2.104 1.00 1.13 C ATOM 811 C GLU A 47 -3.859 -15.253 -1.038 1.00 1.30 C ATOM 812 O GLU A 47 -4.843 -14.553 -0.799 1.00 1.48 O ATOM 813 CB GLU A 47 -1.887 -13.790 -1.556 1.00 1.09 C ATOM 814 CG GLU A 47 -1.235 -14.158 -0.232 1.00 1.43 C ATOM 815 CD GLU A 47 -0.364 -15.392 -0.331 1.00 1.91 C ATOM 816 OE1 GLU A 47 -0.914 -16.513 -0.291 1.00 2.56 O ATOM 817 OE2 GLU A 47 0.866 -15.241 -0.436 1.00 2.22 O ATOM 0 H GLU A 47 -3.524 -13.336 -3.379 1.00 1.17 H new ATOM 0 HA GLU A 47 -2.270 -15.735 -2.381 1.00 1.13 H new ATOM 0 HB2 GLU A 47 -1.106 -13.608 -2.294 1.00 1.09 H new ATOM 0 HB3 GLU A 47 -2.432 -12.854 -1.431 1.00 1.09 H new ATOM 0 HG2 GLU A 47 -0.632 -13.320 0.116 1.00 1.43 H new ATOM 0 HG3 GLU A 47 -2.010 -14.325 0.516 1.00 1.43 H new ATOM 824 N THR A 48 -3.611 -16.389 -0.408 1.00 1.56 N ATOM 825 CA THR A 48 -4.493 -16.898 0.625 1.00 1.94 C ATOM 826 C THR A 48 -3.710 -17.251 1.897 1.00 1.56 C ATOM 827 O THR A 48 -4.292 -17.391 2.975 1.00 1.92 O ATOM 828 CB THR A 48 -5.267 -18.129 0.111 1.00 2.64 C ATOM 829 OG1 THR A 48 -5.811 -17.838 -1.185 1.00 2.79 O ATOM 830 CG2 THR A 48 -6.399 -18.509 1.056 1.00 3.54 C ATOM 0 H THR A 48 -2.800 -16.979 -0.597 1.00 1.56 H new ATOM 0 HA THR A 48 -5.207 -16.114 0.876 1.00 1.94 H new ATOM 0 HB THR A 48 -4.574 -18.968 0.054 1.00 2.64 H new ATOM 0 HG1 THR A 48 -6.302 -18.618 -1.516 1.00 2.79 H new ATOM 0 HG21 THR A 48 -6.924 -19.380 0.664 1.00 3.54 H new ATOM 0 HG22 THR A 48 -5.989 -18.744 2.038 1.00 3.54 H new ATOM 0 HG23 THR A 48 -7.095 -17.675 1.143 1.00 3.54 H new ATOM 838 N PHE A 49 -2.389 -17.362 1.779 1.00 1.27 N ATOM 839 CA PHE A 49 -1.547 -17.694 2.921 1.00 1.57 C ATOM 840 C PHE A 49 -1.411 -16.496 3.849 1.00 1.23 C ATOM 841 O PHE A 49 -1.628 -16.602 5.059 1.00 1.42 O ATOM 842 CB PHE A 49 -0.154 -18.145 2.464 1.00 2.24 C ATOM 843 CG PHE A 49 -0.141 -19.443 1.707 1.00 3.04 C ATOM 844 CD1 PHE A 49 -0.056 -20.650 2.379 1.00 3.80 C ATOM 845 CD2 PHE A 49 -0.205 -19.454 0.323 1.00 3.65 C ATOM 846 CE1 PHE A 49 -0.036 -21.844 1.686 1.00 4.81 C ATOM 847 CE2 PHE A 49 -0.185 -20.644 -0.375 1.00 4.73 C ATOM 848 CZ PHE A 49 -0.101 -21.841 0.306 1.00 5.19 C ATOM 0 H PHE A 49 -1.881 -17.227 0.905 1.00 1.27 H new ATOM 0 HA PHE A 49 -2.024 -18.514 3.457 1.00 1.57 H new ATOM 0 HB2 PHE A 49 0.279 -17.367 1.835 1.00 2.24 H new ATOM 0 HB3 PHE A 49 0.489 -18.242 3.339 1.00 2.24 H new ATOM 0 HD1 PHE A 49 -0.005 -20.658 3.458 1.00 3.80 H new ATOM 0 HD2 PHE A 49 -0.271 -18.520 -0.216 1.00 3.65 H new ATOM 0 HE1 PHE A 49 0.030 -22.779 2.222 1.00 4.81 H new ATOM 0 HE2 PHE A 49 -0.235 -20.639 -1.454 1.00 4.73 H new ATOM 0 HZ PHE A 49 -0.086 -22.774 -0.239 1.00 5.19 H new ATOM 858 N LEU A 50 -1.059 -15.355 3.270 1.00 0.94 N ATOM 859 CA LEU A 50 -0.830 -14.140 4.041 1.00 0.81 C ATOM 860 C LEU A 50 -2.112 -13.324 4.168 1.00 0.81 C ATOM 861 O LEU A 50 -2.636 -12.816 3.174 1.00 0.88 O ATOM 862 CB LEU A 50 0.263 -13.293 3.386 1.00 0.83 C ATOM 863 CG LEU A 50 1.623 -13.983 3.237 1.00 1.05 C ATOM 864 CD1 LEU A 50 2.612 -13.057 2.548 1.00 1.34 C ATOM 865 CD2 LEU A 50 2.159 -14.420 4.595 1.00 1.51 C ATOM 0 H LEU A 50 -0.925 -15.246 2.265 1.00 0.94 H new ATOM 0 HA LEU A 50 -0.506 -14.431 5.040 1.00 0.81 H new ATOM 0 HB2 LEU A 50 -0.081 -12.986 2.398 1.00 0.83 H new ATOM 0 HB3 LEU A 50 0.397 -12.385 3.973 1.00 0.83 H new ATOM 0 HG LEU A 50 1.491 -14.873 2.621 1.00 1.05 H new ATOM 0 HD11 LEU A 50 3.574 -13.561 2.449 1.00 1.34 H new ATOM 0 HD12 LEU A 50 2.236 -12.794 1.559 1.00 1.34 H new ATOM 0 HD13 LEU A 50 2.736 -12.151 3.141 1.00 1.34 H new ATOM 0 HD21 LEU A 50 3.125 -14.907 4.465 1.00 1.51 H new ATOM 0 HD22 LEU A 50 2.276 -13.548 5.238 1.00 1.51 H new ATOM 0 HD23 LEU A 50 1.459 -15.118 5.055 1.00 1.51 H new ATOM 877 N PRO A 51 -2.639 -13.206 5.394 1.00 0.98 N ATOM 878 CA PRO A 51 -3.850 -12.433 5.675 1.00 1.19 C ATOM 879 C PRO A 51 -3.583 -10.927 5.698 1.00 1.06 C ATOM 880 O PRO A 51 -2.429 -10.497 5.783 1.00 1.05 O ATOM 881 CB PRO A 51 -4.264 -12.931 7.059 1.00 1.58 C ATOM 882 CG PRO A 51 -2.991 -13.328 7.713 1.00 1.69 C ATOM 883 CD PRO A 51 -2.086 -13.822 6.616 1.00 1.21 C ATOM 0 HA PRO A 51 -4.616 -12.570 4.911 1.00 1.19 H new ATOM 0 HB2 PRO A 51 -4.773 -12.151 7.625 1.00 1.58 H new ATOM 0 HB3 PRO A 51 -4.952 -13.773 6.987 1.00 1.58 H new ATOM 0 HG2 PRO A 51 -2.543 -12.483 8.235 1.00 1.69 H new ATOM 0 HG3 PRO A 51 -3.162 -14.107 8.456 1.00 1.69 H new ATOM 0 HD2 PRO A 51 -1.053 -13.518 6.784 1.00 1.21 H new ATOM 0 HD3 PRO A 51 -2.092 -14.910 6.553 1.00 1.21 H new ATOM 891 N PRO A 52 -4.654 -10.112 5.606 1.00 1.03 N ATOM 892 CA PRO A 52 -4.558 -8.647 5.649 1.00 0.93 C ATOM 893 C PRO A 52 -3.725 -8.153 6.829 1.00 0.87 C ATOM 894 O PRO A 52 -3.858 -8.648 7.948 1.00 1.08 O ATOM 895 CB PRO A 52 -6.011 -8.199 5.810 1.00 1.03 C ATOM 896 CG PRO A 52 -6.824 -9.301 5.228 1.00 1.15 C ATOM 897 CD PRO A 52 -6.049 -10.569 5.459 1.00 1.17 C ATOM 0 HA PRO A 52 -4.067 -8.249 4.761 1.00 0.93 H new ATOM 0 HB2 PRO A 52 -6.260 -8.037 6.859 1.00 1.03 H new ATOM 0 HB3 PRO A 52 -6.193 -7.258 5.291 1.00 1.03 H new ATOM 0 HG2 PRO A 52 -7.804 -9.353 5.703 1.00 1.15 H new ATOM 0 HG3 PRO A 52 -6.994 -9.138 4.164 1.00 1.15 H new ATOM 0 HD2 PRO A 52 -6.394 -11.091 6.351 1.00 1.17 H new ATOM 0 HD3 PRO A 52 -6.157 -11.261 4.623 1.00 1.17 H new ATOM 905 N LEU A 53 -2.874 -7.169 6.573 1.00 0.75 N ATOM 906 CA LEU A 53 -1.977 -6.646 7.593 1.00 0.74 C ATOM 907 C LEU A 53 -2.717 -5.776 8.596 1.00 0.76 C ATOM 908 O LEU A 53 -3.908 -5.501 8.433 1.00 0.80 O ATOM 909 CB LEU A 53 -0.857 -5.830 6.949 1.00 0.76 C ATOM 910 CG LEU A 53 -0.028 -6.579 5.912 1.00 0.79 C ATOM 911 CD1 LEU A 53 0.979 -5.642 5.270 1.00 0.77 C ATOM 912 CD2 LEU A 53 0.674 -7.768 6.550 1.00 1.22 C ATOM 0 H LEU A 53 -2.786 -6.716 5.664 1.00 0.75 H new ATOM 0 HA LEU A 53 -1.554 -7.500 8.122 1.00 0.74 H new ATOM 0 HB2 LEU A 53 -1.294 -4.951 6.476 1.00 0.76 H new ATOM 0 HB3 LEU A 53 -0.191 -5.472 7.734 1.00 0.76 H new ATOM 0 HG LEU A 53 -0.695 -6.954 5.135 1.00 0.79 H new ATOM 0 HD11 LEU A 53 1.565 -6.189 4.531 1.00 0.77 H new ATOM 0 HD12 LEU A 53 0.453 -4.822 4.781 1.00 0.77 H new ATOM 0 HD13 LEU A 53 1.643 -5.242 6.036 1.00 0.77 H new ATOM 0 HD21 LEU A 53 1.261 -8.291 5.796 1.00 1.22 H new ATOM 0 HD22 LEU A 53 1.333 -7.418 7.345 1.00 1.22 H new ATOM 0 HD23 LEU A 53 -0.069 -8.448 6.968 1.00 1.22 H new ATOM 924 N ASP A 54 -2.011 -5.349 9.633 1.00 0.77 N ATOM 925 CA ASP A 54 -2.585 -4.456 10.632 1.00 0.82 C ATOM 926 C ASP A 54 -2.916 -3.109 10.001 1.00 0.69 C ATOM 927 O ASP A 54 -4.013 -2.576 10.173 1.00 0.75 O ATOM 928 CB ASP A 54 -1.606 -4.262 11.791 1.00 1.00 C ATOM 929 CG ASP A 54 -2.200 -3.464 12.931 1.00 1.25 C ATOM 930 OD1 ASP A 54 -2.081 -2.223 12.926 1.00 1.53 O ATOM 931 OD2 ASP A 54 -2.774 -4.080 13.851 1.00 2.12 O ATOM 0 H ASP A 54 -1.039 -5.606 9.806 1.00 0.77 H new ATOM 0 HA ASP A 54 -3.502 -4.903 11.016 1.00 0.82 H new ATOM 0 HB2 ASP A 54 -1.291 -5.237 12.162 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -0.713 -3.756 11.425 1.00 1.00 H new ATOM 936 N LYS A 55 -1.966 -2.587 9.237 1.00 0.64 N ATOM 937 CA LYS A 55 -2.123 -1.303 8.571 1.00 0.62 C ATOM 938 C LYS A 55 -2.072 -1.493 7.062 1.00 0.55 C ATOM 939 O LYS A 55 -1.383 -2.384 6.565 1.00 0.61 O ATOM 940 CB LYS A 55 -1.013 -0.339 9.005 1.00 0.81 C ATOM 941 CG LYS A 55 -0.989 -0.054 10.499 1.00 1.10 C ATOM 942 CD LYS A 55 -2.228 0.703 10.952 1.00 1.49 C ATOM 943 CE LYS A 55 -2.201 0.966 12.449 1.00 1.98 C ATOM 944 NZ LYS A 55 -0.991 1.724 12.855 1.00 2.59 N ATOM 0 H LYS A 55 -1.069 -3.040 9.062 1.00 0.64 H new ATOM 0 HA LYS A 55 -3.088 -0.881 8.851 1.00 0.62 H new ATOM 0 HB2 LYS A 55 -0.049 -0.754 8.709 1.00 0.81 H new ATOM 0 HB3 LYS A 55 -1.133 0.602 8.468 1.00 0.81 H new ATOM 0 HG2 LYS A 55 -0.917 -0.994 11.047 1.00 1.10 H new ATOM 0 HG3 LYS A 55 -0.099 0.526 10.744 1.00 1.10 H new ATOM 0 HD2 LYS A 55 -2.294 1.650 10.416 1.00 1.49 H new ATOM 0 HD3 LYS A 55 -3.120 0.130 10.698 1.00 1.49 H new ATOM 0 HE2 LYS A 55 -3.092 1.524 12.736 1.00 1.98 H new ATOM 0 HE3 LYS A 55 -2.232 0.017 12.985 1.00 1.98 H new ATOM 0 HZ1 LYS A 55 -1.117 2.088 13.821 1.00 2.59 H new ATOM 0 HZ2 LYS A 55 -0.162 1.096 12.827 1.00 2.59 H new ATOM 0 HZ3 LYS A 55 -0.845 2.520 12.202 1.00 2.59 H new ATOM 958 N THR A 56 -2.815 -0.668 6.346 1.00 0.50 N ATOM 959 CA THR A 56 -2.820 -0.710 4.892 1.00 0.48 C ATOM 960 C THR A 56 -1.971 0.428 4.322 1.00 0.43 C ATOM 961 O THR A 56 -1.351 0.294 3.269 1.00 0.45 O ATOM 962 CB THR A 56 -4.262 -0.609 4.348 1.00 0.55 C ATOM 963 OG1 THR A 56 -5.088 -1.595 4.987 1.00 1.14 O ATOM 964 CG2 THR A 56 -4.302 -0.814 2.840 1.00 0.96 C ATOM 0 H THR A 56 -3.426 0.043 6.749 1.00 0.50 H new ATOM 0 HA THR A 56 -2.393 -1.663 4.580 1.00 0.48 H new ATOM 0 HB THR A 56 -4.637 0.391 4.566 1.00 0.55 H new ATOM 0 HG1 THR A 56 -6.003 -1.529 4.642 1.00 1.14 H new ATOM 0 HG21 THR A 56 -5.331 -0.737 2.489 1.00 0.96 H new ATOM 0 HG22 THR A 56 -3.694 -0.051 2.353 1.00 0.96 H new ATOM 0 HG23 THR A 56 -3.909 -1.801 2.596 1.00 0.96 H new ATOM 972 N LYS A 57 -1.933 1.543 5.035 1.00 0.46 N ATOM 973 CA LYS A 57 -1.169 2.701 4.598 1.00 0.48 C ATOM 974 C LYS A 57 0.028 2.920 5.512 1.00 0.52 C ATOM 975 O LYS A 57 -0.102 2.909 6.739 1.00 0.69 O ATOM 976 CB LYS A 57 -2.049 3.953 4.583 1.00 0.59 C ATOM 977 CG LYS A 57 -3.275 3.824 3.692 1.00 0.90 C ATOM 978 CD LYS A 57 -4.104 5.100 3.684 1.00 1.09 C ATOM 979 CE LYS A 57 -4.621 5.450 5.073 1.00 1.54 C ATOM 980 NZ LYS A 57 -5.425 4.349 5.667 1.00 2.14 N ATOM 0 H LYS A 57 -2.423 1.671 5.920 1.00 0.46 H new ATOM 0 HA LYS A 57 -0.812 2.513 3.585 1.00 0.48 H new ATOM 0 HB2 LYS A 57 -2.371 4.173 5.601 1.00 0.59 H new ATOM 0 HB3 LYS A 57 -1.453 4.802 4.247 1.00 0.59 H new ATOM 0 HG2 LYS A 57 -2.962 3.587 2.675 1.00 0.90 H new ATOM 0 HG3 LYS A 57 -3.890 2.993 4.038 1.00 0.90 H new ATOM 0 HD2 LYS A 57 -3.499 5.923 3.304 1.00 1.09 H new ATOM 0 HD3 LYS A 57 -4.946 4.981 3.002 1.00 1.09 H new ATOM 0 HE2 LYS A 57 -3.778 5.675 5.726 1.00 1.54 H new ATOM 0 HE3 LYS A 57 -5.230 6.352 5.015 1.00 1.54 H new ATOM 0 HZ1 LYS A 57 -5.987 4.719 6.460 1.00 2.14 H new ATOM 0 HZ2 LYS A 57 -6.062 3.956 4.945 1.00 2.14 H new ATOM 0 HZ3 LYS A 57 -4.789 3.602 6.012 1.00 2.14 H new ATOM 994 N PHE A 58 1.191 3.113 4.916 1.00 0.43 N ATOM 995 CA PHE A 58 2.407 3.335 5.676 1.00 0.50 C ATOM 996 C PHE A 58 3.090 4.617 5.227 1.00 0.38 C ATOM 997 O PHE A 58 3.419 4.772 4.052 1.00 0.33 O ATOM 998 CB PHE A 58 3.380 2.161 5.512 1.00 0.69 C ATOM 999 CG PHE A 58 2.850 0.846 6.006 1.00 0.48 C ATOM 1000 CD1 PHE A 58 3.042 0.457 7.320 1.00 1.42 C ATOM 1001 CD2 PHE A 58 2.169 -0.006 5.151 1.00 1.16 C ATOM 1002 CE1 PHE A 58 2.565 -0.756 7.775 1.00 1.64 C ATOM 1003 CE2 PHE A 58 1.687 -1.220 5.600 1.00 1.29 C ATOM 1004 CZ PHE A 58 1.886 -1.595 6.913 1.00 1.11 C ATOM 0 H PHE A 58 1.319 3.120 3.904 1.00 0.43 H new ATOM 0 HA PHE A 58 2.128 3.420 6.726 1.00 0.50 H new ATOM 0 HB2 PHE A 58 3.638 2.063 4.458 1.00 0.69 H new ATOM 0 HB3 PHE A 58 4.302 2.391 6.045 1.00 0.69 H new ATOM 0 HD1 PHE A 58 3.571 1.110 7.998 1.00 1.42 H new ATOM 0 HD2 PHE A 58 2.013 0.283 4.122 1.00 1.16 H new ATOM 0 HE1 PHE A 58 2.722 -1.048 8.803 1.00 1.64 H new ATOM 0 HE2 PHE A 58 1.156 -1.874 4.925 1.00 1.29 H new ATOM 0 HZ PHE A 58 1.511 -2.544 7.267 1.00 1.11 H new ATOM 1014 N LEU A 59 3.278 5.544 6.150 1.00 0.46 N ATOM 1015 CA LEU A 59 4.069 6.728 5.864 1.00 0.43 C ATOM 1016 C LEU A 59 5.490 6.493 6.347 1.00 0.40 C ATOM 1017 O LEU A 59 5.771 6.561 7.543 1.00 0.54 O ATOM 1018 CB LEU A 59 3.478 7.980 6.528 1.00 0.59 C ATOM 1019 CG LEU A 59 2.184 8.520 5.902 1.00 1.38 C ATOM 1020 CD1 LEU A 59 0.999 7.615 6.211 1.00 2.22 C ATOM 1021 CD2 LEU A 59 1.915 9.936 6.386 1.00 1.64 C ATOM 0 H LEU A 59 2.898 5.501 7.095 1.00 0.46 H new ATOM 0 HA LEU A 59 4.062 6.903 4.788 1.00 0.43 H new ATOM 0 HB2 LEU A 59 3.286 7.755 7.577 1.00 0.59 H new ATOM 0 HB3 LEU A 59 4.229 8.770 6.503 1.00 0.59 H new ATOM 0 HG LEU A 59 2.315 8.537 4.820 1.00 1.38 H new ATOM 0 HD11 LEU A 59 0.099 8.025 5.754 1.00 2.22 H new ATOM 0 HD12 LEU A 59 1.188 6.619 5.811 1.00 2.22 H new ATOM 0 HD13 LEU A 59 0.861 7.552 7.290 1.00 2.22 H new ATOM 0 HD21 LEU A 59 0.995 10.306 5.934 1.00 1.64 H new ATOM 0 HD22 LEU A 59 1.812 9.936 7.471 1.00 1.64 H new ATOM 0 HD23 LEU A 59 2.745 10.582 6.100 1.00 1.64 H new ATOM 1033 N VAL A 60 6.377 6.212 5.411 1.00 0.33 N ATOM 1034 CA VAL A 60 7.738 5.821 5.737 1.00 0.41 C ATOM 1035 C VAL A 60 8.742 6.826 5.191 1.00 0.36 C ATOM 1036 O VAL A 60 8.442 7.560 4.252 1.00 0.34 O ATOM 1037 CB VAL A 60 8.061 4.415 5.179 1.00 0.50 C ATOM 1038 CG1 VAL A 60 7.283 3.348 5.931 1.00 0.59 C ATOM 1039 CG2 VAL A 60 7.759 4.343 3.690 1.00 0.47 C ATOM 0 H VAL A 60 6.178 6.247 4.411 1.00 0.33 H new ATOM 0 HA VAL A 60 7.816 5.797 6.824 1.00 0.41 H new ATOM 0 HB VAL A 60 9.126 4.230 5.322 1.00 0.50 H new ATOM 0 HG11 VAL A 60 7.524 2.366 5.523 1.00 0.59 H new ATOM 0 HG12 VAL A 60 7.552 3.378 6.987 1.00 0.59 H new ATOM 0 HG13 VAL A 60 6.214 3.533 5.823 1.00 0.59 H new ATOM 0 HG21 VAL A 60 7.994 3.345 3.319 1.00 0.47 H new ATOM 0 HG22 VAL A 60 6.703 4.553 3.522 1.00 0.47 H new ATOM 0 HG23 VAL A 60 8.364 5.079 3.160 1.00 0.47 H new ATOM 1049 N PRO A 61 9.938 6.888 5.792 1.00 0.41 N ATOM 1050 CA PRO A 61 11.015 7.764 5.325 1.00 0.41 C ATOM 1051 C PRO A 61 11.477 7.396 3.917 1.00 0.37 C ATOM 1052 O PRO A 61 11.487 6.225 3.542 1.00 0.36 O ATOM 1053 CB PRO A 61 12.141 7.521 6.338 1.00 0.52 C ATOM 1054 CG PRO A 61 11.829 6.208 6.963 1.00 0.71 C ATOM 1055 CD PRO A 61 10.334 6.110 6.978 1.00 0.51 C ATOM 0 HA PRO A 61 10.700 8.806 5.265 1.00 0.41 H new ATOM 0 HB2 PRO A 61 13.114 7.502 5.847 1.00 0.52 H new ATOM 0 HB3 PRO A 61 12.176 8.314 7.085 1.00 0.52 H new ATOM 0 HG2 PRO A 61 12.269 5.389 6.394 1.00 0.71 H new ATOM 0 HG3 PRO A 61 12.235 6.149 7.973 1.00 0.71 H new ATOM 0 HD2 PRO A 61 9.997 5.075 6.913 1.00 0.51 H new ATOM 0 HD3 PRO A 61 9.912 6.526 7.893 1.00 0.51 H new ATOM 1063 N GLN A 62 11.868 8.402 3.145 1.00 0.42 N ATOM 1064 CA GLN A 62 12.276 8.190 1.762 1.00 0.45 C ATOM 1065 C GLN A 62 13.646 7.520 1.693 1.00 0.43 C ATOM 1066 O GLN A 62 14.051 7.020 0.642 1.00 0.51 O ATOM 1067 CB GLN A 62 12.293 9.513 0.991 1.00 0.61 C ATOM 1068 CG GLN A 62 13.276 10.539 1.528 1.00 0.85 C ATOM 1069 CD GLN A 62 13.449 11.715 0.589 1.00 0.78 C ATOM 1070 OE1 GLN A 62 12.617 12.731 0.747 1.00 1.34 O flip ATOM 1071 NE2 GLN A 62 14.319 11.705 -0.281 1.00 1.15 N flip ATOM 0 H GLN A 62 11.911 9.373 3.453 1.00 0.42 H new ATOM 0 HA GLN A 62 11.546 7.527 1.297 1.00 0.45 H new ATOM 0 HB2 GLN A 62 12.533 9.309 -0.052 1.00 0.61 H new ATOM 0 HB3 GLN A 62 11.292 9.943 1.009 1.00 0.61 H new ATOM 0 HG2 GLN A 62 12.930 10.898 2.497 1.00 0.85 H new ATOM 0 HG3 GLN A 62 14.242 10.062 1.692 1.00 0.85 H new ATOM 0 HE21 GLN A 62 14.942 10.902 -0.371 1.00 1.15 H new ATOM 0 HE22 GLN A 62 14.418 12.500 -0.913 1.00 1.15 H new ATOM 1080 N GLU A 63 14.355 7.515 2.816 1.00 0.46 N ATOM 1081 CA GLU A 63 15.662 6.875 2.894 1.00 0.59 C ATOM 1082 C GLU A 63 15.506 5.377 3.135 1.00 0.51 C ATOM 1083 O GLU A 63 16.479 4.622 3.087 1.00 0.62 O ATOM 1084 CB GLU A 63 16.502 7.484 4.021 1.00 0.81 C ATOM 1085 CG GLU A 63 16.320 8.983 4.205 1.00 1.56 C ATOM 1086 CD GLU A 63 15.225 9.312 5.200 1.00 2.26 C ATOM 1087 OE1 GLU A 63 15.520 9.356 6.413 1.00 2.73 O ATOM 1088 OE2 GLU A 63 14.067 9.516 4.783 1.00 3.07 O ATOM 0 H GLU A 63 14.046 7.948 3.686 1.00 0.46 H new ATOM 0 HA GLU A 63 16.171 7.039 1.944 1.00 0.59 H new ATOM 0 HB2 GLU A 63 16.250 6.983 4.956 1.00 0.81 H new ATOM 0 HB3 GLU A 63 17.554 7.280 3.823 1.00 0.81 H new ATOM 0 HG2 GLU A 63 17.259 9.422 4.543 1.00 1.56 H new ATOM 0 HG3 GLU A 63 16.083 9.439 3.244 1.00 1.56 H new ATOM 1095 N LEU A 64 14.274 4.957 3.391 1.00 0.39 N ATOM 1096 CA LEU A 64 13.971 3.571 3.680 1.00 0.39 C ATOM 1097 C LEU A 64 14.093 2.748 2.404 1.00 0.45 C ATOM 1098 O LEU A 64 13.767 3.219 1.315 1.00 0.54 O ATOM 1099 CB LEU A 64 12.555 3.470 4.267 1.00 0.36 C ATOM 1100 CG LEU A 64 12.358 2.480 5.425 1.00 0.49 C ATOM 1101 CD1 LEU A 64 12.440 1.049 4.937 1.00 1.14 C ATOM 1102 CD2 LEU A 64 13.381 2.722 6.527 1.00 1.44 C ATOM 0 H LEU A 64 13.460 5.572 3.403 1.00 0.39 H new ATOM 0 HA LEU A 64 14.677 3.179 4.412 1.00 0.39 H new ATOM 0 HB2 LEU A 64 12.258 4.460 4.612 1.00 0.36 H new ATOM 0 HB3 LEU A 64 11.872 3.194 3.463 1.00 0.36 H new ATOM 0 HG LEU A 64 11.362 2.645 5.836 1.00 0.49 H new ATOM 0 HD11 LEU A 64 12.297 0.369 5.777 1.00 1.14 H new ATOM 0 HD12 LEU A 64 11.664 0.874 4.192 1.00 1.14 H new ATOM 0 HD13 LEU A 64 13.418 0.873 4.490 1.00 1.14 H new ATOM 0 HD21 LEU A 64 13.221 2.009 7.335 1.00 1.44 H new ATOM 0 HD22 LEU A 64 14.386 2.595 6.125 1.00 1.44 H new ATOM 0 HD23 LEU A 64 13.269 3.736 6.911 1.00 1.44 H new ATOM 1114 N THR A 65 14.596 1.541 2.549 1.00 0.49 N ATOM 1115 CA THR A 65 14.801 0.649 1.416 1.00 0.54 C ATOM 1116 C THR A 65 13.693 -0.389 1.304 1.00 0.53 C ATOM 1117 O THR A 65 13.006 -0.680 2.282 1.00 0.51 O ATOM 1118 CB THR A 65 16.145 -0.089 1.521 1.00 0.60 C ATOM 1119 OG1 THR A 65 16.264 -0.698 2.817 1.00 0.56 O ATOM 1120 CG2 THR A 65 17.307 0.859 1.281 1.00 0.68 C ATOM 0 H THR A 65 14.875 1.147 3.448 1.00 0.49 H new ATOM 0 HA THR A 65 14.794 1.281 0.528 1.00 0.54 H new ATOM 0 HB THR A 65 16.175 -0.862 0.753 1.00 0.60 H new ATOM 0 HG1 THR A 65 17.121 -1.169 2.880 1.00 0.56 H new ATOM 0 HG21 THR A 65 18.246 0.311 1.361 1.00 0.68 H new ATOM 0 HG22 THR A 65 17.223 1.292 0.284 1.00 0.68 H new ATOM 0 HG23 THR A 65 17.287 1.655 2.025 1.00 0.68 H new ATOM 1128 N MET A 66 13.539 -0.956 0.114 1.00 0.55 N ATOM 1129 CA MET A 66 12.568 -2.022 -0.114 1.00 0.56 C ATOM 1130 C MET A 66 12.794 -3.181 0.852 1.00 0.52 C ATOM 1131 O MET A 66 11.845 -3.739 1.400 1.00 0.47 O ATOM 1132 CB MET A 66 12.668 -2.531 -1.554 1.00 0.62 C ATOM 1133 CG MET A 66 12.214 -1.525 -2.600 1.00 0.88 C ATOM 1134 SD MET A 66 10.421 -1.380 -2.701 1.00 1.39 S ATOM 1135 CE MET A 66 9.994 -3.004 -3.331 1.00 1.05 C ATOM 0 H MET A 66 14.076 -0.695 -0.713 1.00 0.55 H new ATOM 0 HA MET A 66 11.573 -1.612 0.058 1.00 0.56 H new ATOM 0 HB2 MET A 66 13.702 -2.810 -1.758 1.00 0.62 H new ATOM 0 HB3 MET A 66 12.068 -3.436 -1.651 1.00 0.62 H new ATOM 0 HG2 MET A 66 12.640 -0.549 -2.367 1.00 0.88 H new ATOM 0 HG3 MET A 66 12.605 -1.819 -3.574 1.00 0.88 H new ATOM 0 HE1 MET A 66 8.962 -2.998 -3.683 1.00 1.05 H new ATOM 0 HE2 MET A 66 10.658 -3.260 -4.157 1.00 1.05 H new ATOM 0 HE3 MET A 66 10.102 -3.742 -2.537 1.00 1.05 H new ATOM 1145 N THR A 67 14.060 -3.524 1.078 1.00 0.56 N ATOM 1146 CA THR A 67 14.395 -4.651 1.935 1.00 0.58 C ATOM 1147 C THR A 67 14.015 -4.380 3.392 1.00 0.47 C ATOM 1148 O THR A 67 13.477 -5.259 4.067 1.00 0.45 O ATOM 1149 CB THR A 67 15.892 -5.030 1.831 1.00 0.70 C ATOM 1150 OG1 THR A 67 16.193 -6.128 2.701 1.00 1.33 O ATOM 1151 CG2 THR A 67 16.790 -3.853 2.169 1.00 1.19 C ATOM 0 H THR A 67 14.864 -3.039 0.681 1.00 0.56 H new ATOM 0 HA THR A 67 13.809 -5.499 1.580 1.00 0.58 H new ATOM 0 HB THR A 67 16.083 -5.322 0.798 1.00 0.70 H new ATOM 0 HG1 THR A 67 17.164 -6.254 2.745 1.00 1.33 H new ATOM 0 HG21 THR A 67 17.834 -4.156 2.085 1.00 1.19 H new ATOM 0 HG22 THR A 67 16.593 -3.035 1.477 1.00 1.19 H new ATOM 0 HG23 THR A 67 16.589 -3.523 3.188 1.00 1.19 H new ATOM 1159 N GLN A 68 14.269 -3.167 3.876 1.00 0.47 N ATOM 1160 CA GLN A 68 13.917 -2.828 5.247 1.00 0.43 C ATOM 1161 C GLN A 68 12.413 -2.624 5.392 1.00 0.35 C ATOM 1162 O GLN A 68 11.846 -2.869 6.459 1.00 0.34 O ATOM 1163 CB GLN A 68 14.679 -1.590 5.717 1.00 0.50 C ATOM 1164 CG GLN A 68 16.142 -1.868 6.020 1.00 0.56 C ATOM 1165 CD GLN A 68 16.318 -2.884 7.134 1.00 1.33 C ATOM 1166 OE1 GLN A 68 15.490 -2.978 8.045 1.00 2.03 O ATOM 1167 NE2 GLN A 68 17.391 -3.654 7.069 1.00 1.98 N ATOM 0 H GLN A 68 14.710 -2.415 3.347 1.00 0.47 H new ATOM 0 HA GLN A 68 14.206 -3.665 5.882 1.00 0.43 H new ATOM 0 HB2 GLN A 68 14.614 -0.818 4.950 1.00 0.50 H new ATOM 0 HB3 GLN A 68 14.198 -1.193 6.611 1.00 0.50 H new ATOM 0 HG2 GLN A 68 16.634 -2.232 5.118 1.00 0.56 H new ATOM 0 HG3 GLN A 68 16.636 -0.937 6.299 1.00 0.56 H new ATOM 0 HE21 GLN A 68 18.051 -3.545 6.299 1.00 1.98 H new ATOM 0 HE22 GLN A 68 17.558 -4.357 7.788 1.00 1.98 H new ATOM 1176 N PHE A 69 11.765 -2.185 4.319 1.00 0.35 N ATOM 1177 CA PHE A 69 10.320 -2.016 4.324 1.00 0.34 C ATOM 1178 C PHE A 69 9.655 -3.382 4.362 1.00 0.36 C ATOM 1179 O PHE A 69 8.643 -3.581 5.032 1.00 0.36 O ATOM 1180 CB PHE A 69 9.860 -1.225 3.096 1.00 0.42 C ATOM 1181 CG PHE A 69 8.389 -0.926 3.100 1.00 0.45 C ATOM 1182 CD1 PHE A 69 7.823 -0.197 4.134 1.00 1.26 C ATOM 1183 CD2 PHE A 69 7.572 -1.382 2.079 1.00 1.31 C ATOM 1184 CE1 PHE A 69 6.470 0.074 4.147 1.00 1.33 C ATOM 1185 CE2 PHE A 69 6.218 -1.114 2.088 1.00 1.30 C ATOM 1186 CZ PHE A 69 5.666 -0.386 3.124 1.00 0.59 C ATOM 0 H PHE A 69 12.217 -1.941 3.438 1.00 0.35 H new ATOM 0 HA PHE A 69 10.030 -1.450 5.210 1.00 0.34 H new ATOM 0 HB2 PHE A 69 10.414 -0.288 3.048 1.00 0.42 H new ATOM 0 HB3 PHE A 69 10.107 -1.788 2.196 1.00 0.42 H new ATOM 0 HD1 PHE A 69 8.448 0.163 4.938 1.00 1.26 H new ATOM 0 HD2 PHE A 69 7.999 -1.953 1.268 1.00 1.31 H new ATOM 0 HE1 PHE A 69 6.041 0.645 4.957 1.00 1.33 H new ATOM 0 HE2 PHE A 69 5.591 -1.473 1.286 1.00 1.30 H new ATOM 0 HZ PHE A 69 4.606 -0.177 3.133 1.00 0.59 H new ATOM 1196 N LEU A 70 10.257 -4.319 3.639 1.00 0.40 N ATOM 1197 CA LEU A 70 9.829 -5.709 3.637 1.00 0.46 C ATOM 1198 C LEU A 70 9.789 -6.251 5.062 1.00 0.47 C ATOM 1199 O LEU A 70 8.833 -6.918 5.466 1.00 0.52 O ATOM 1200 CB LEU A 70 10.808 -6.532 2.799 1.00 0.54 C ATOM 1201 CG LEU A 70 10.352 -7.950 2.452 1.00 0.77 C ATOM 1202 CD1 LEU A 70 9.246 -7.920 1.409 1.00 1.18 C ATOM 1203 CD2 LEU A 70 11.528 -8.781 1.965 1.00 1.43 C ATOM 0 H LEU A 70 11.059 -4.133 3.036 1.00 0.40 H new ATOM 0 HA LEU A 70 8.828 -5.777 3.210 1.00 0.46 H new ATOM 0 HB2 LEU A 70 11.004 -5.995 1.871 1.00 0.54 H new ATOM 0 HB3 LEU A 70 11.754 -6.595 3.336 1.00 0.54 H new ATOM 0 HG LEU A 70 9.953 -8.413 3.354 1.00 0.77 H new ATOM 0 HD11 LEU A 70 8.937 -8.939 1.177 1.00 1.18 H new ATOM 0 HD12 LEU A 70 8.394 -7.362 1.798 1.00 1.18 H new ATOM 0 HD13 LEU A 70 9.613 -7.437 0.503 1.00 1.18 H new ATOM 0 HD21 LEU A 70 11.187 -9.787 1.722 1.00 1.43 H new ATOM 0 HD22 LEU A 70 11.957 -8.319 1.076 1.00 1.43 H new ATOM 0 HD23 LEU A 70 12.285 -8.834 2.747 1.00 1.43 H new ATOM 1215 N SER A 71 10.837 -5.944 5.818 1.00 0.45 N ATOM 1216 CA SER A 71 10.930 -6.341 7.214 1.00 0.50 C ATOM 1217 C SER A 71 9.779 -5.744 8.026 1.00 0.48 C ATOM 1218 O SER A 71 9.189 -6.417 8.873 1.00 0.56 O ATOM 1219 CB SER A 71 12.273 -5.888 7.784 1.00 0.55 C ATOM 1220 OG SER A 71 13.337 -6.258 6.922 1.00 1.50 O ATOM 0 H SER A 71 11.641 -5.415 5.481 1.00 0.45 H new ATOM 0 HA SER A 71 10.859 -7.427 7.277 1.00 0.50 H new ATOM 0 HB2 SER A 71 12.269 -4.807 7.921 1.00 0.55 H new ATOM 0 HB3 SER A 71 12.424 -6.333 8.767 1.00 0.55 H new ATOM 0 HG SER A 71 14.188 -5.957 7.305 1.00 1.50 H new ATOM 1226 N ILE A 72 9.453 -4.485 7.751 1.00 0.40 N ATOM 1227 CA ILE A 72 8.355 -3.813 8.437 1.00 0.39 C ATOM 1228 C ILE A 72 7.031 -4.504 8.129 1.00 0.40 C ATOM 1229 O ILE A 72 6.227 -4.754 9.026 1.00 0.46 O ATOM 1230 CB ILE A 72 8.250 -2.325 8.041 1.00 0.38 C ATOM 1231 CG1 ILE A 72 9.543 -1.584 8.394 1.00 0.42 C ATOM 1232 CG2 ILE A 72 7.055 -1.680 8.732 1.00 0.43 C ATOM 1233 CD1 ILE A 72 9.551 -0.132 7.965 1.00 0.46 C ATOM 0 H ILE A 72 9.933 -3.910 7.059 1.00 0.40 H new ATOM 0 HA ILE A 72 8.566 -3.871 9.505 1.00 0.39 H new ATOM 0 HB ILE A 72 8.103 -2.260 6.963 1.00 0.38 H new ATOM 0 HG12 ILE A 72 9.698 -1.636 9.472 1.00 0.42 H new ATOM 0 HG13 ILE A 72 10.384 -2.096 7.926 1.00 0.42 H new ATOM 0 HG21 ILE A 72 6.992 -0.630 8.445 1.00 0.43 H new ATOM 0 HG22 ILE A 72 6.141 -2.194 8.434 1.00 0.43 H new ATOM 0 HG23 ILE A 72 7.176 -1.754 9.813 1.00 0.43 H new ATOM 0 HD11 ILE A 72 10.498 0.326 8.249 1.00 0.46 H new ATOM 0 HD12 ILE A 72 9.428 -0.071 6.884 1.00 0.46 H new ATOM 0 HD13 ILE A 72 8.732 0.396 8.453 1.00 0.46 H new ATOM 1245 N ILE A 73 6.822 -4.826 6.858 1.00 0.40 N ATOM 1246 CA ILE A 73 5.599 -5.490 6.422 1.00 0.47 C ATOM 1247 C ILE A 73 5.424 -6.832 7.127 1.00 0.56 C ATOM 1248 O ILE A 73 4.340 -7.150 7.615 1.00 0.64 O ATOM 1249 CB ILE A 73 5.589 -5.710 4.894 1.00 0.52 C ATOM 1250 CG1 ILE A 73 5.663 -4.368 4.166 1.00 0.51 C ATOM 1251 CG2 ILE A 73 4.344 -6.479 4.470 1.00 0.65 C ATOM 1252 CD1 ILE A 73 5.712 -4.501 2.662 1.00 1.08 C ATOM 0 H ILE A 73 7.487 -4.637 6.108 1.00 0.40 H new ATOM 0 HA ILE A 73 4.769 -4.835 6.687 1.00 0.47 H new ATOM 0 HB ILE A 73 6.464 -6.302 4.624 1.00 0.52 H new ATOM 0 HG12 ILE A 73 4.797 -3.766 4.442 1.00 0.51 H new ATOM 0 HG13 ILE A 73 6.548 -3.828 4.504 1.00 0.51 H new ATOM 0 HG21 ILE A 73 4.356 -6.624 3.390 1.00 0.65 H new ATOM 0 HG22 ILE A 73 4.329 -7.450 4.966 1.00 0.65 H new ATOM 0 HG23 ILE A 73 3.455 -5.915 4.751 1.00 0.65 H new ATOM 0 HD11 ILE A 73 5.764 -3.510 2.211 1.00 1.08 H new ATOM 0 HD12 ILE A 73 6.593 -5.076 2.376 1.00 1.08 H new ATOM 0 HD13 ILE A 73 4.815 -5.013 2.313 1.00 1.08 H new ATOM 1264 N ARG A 74 6.501 -7.607 7.196 1.00 0.60 N ATOM 1265 CA ARG A 74 6.469 -8.901 7.871 1.00 0.75 C ATOM 1266 C ARG A 74 6.175 -8.724 9.362 1.00 0.75 C ATOM 1267 O ARG A 74 5.542 -9.576 9.987 1.00 0.84 O ATOM 1268 CB ARG A 74 7.793 -9.645 7.672 1.00 0.86 C ATOM 1269 CG ARG A 74 7.838 -11.002 8.360 1.00 1.15 C ATOM 1270 CD ARG A 74 9.166 -11.706 8.131 1.00 1.07 C ATOM 1271 NE ARG A 74 9.308 -12.203 6.761 1.00 1.72 N ATOM 1272 CZ ARG A 74 10.395 -12.021 6.009 1.00 2.15 C ATOM 1273 NH1 ARG A 74 11.405 -11.283 6.454 1.00 2.13 N ATOM 1274 NH2 ARG A 74 10.471 -12.583 4.808 1.00 3.12 N ATOM 0 H ARG A 74 7.406 -7.363 6.794 1.00 0.60 H new ATOM 0 HA ARG A 74 5.669 -9.496 7.431 1.00 0.75 H new ATOM 0 HB2 ARG A 74 7.966 -9.782 6.605 1.00 0.86 H new ATOM 0 HB3 ARG A 74 8.608 -9.028 8.051 1.00 0.86 H new ATOM 0 HG2 ARG A 74 7.675 -10.873 9.430 1.00 1.15 H new ATOM 0 HG3 ARG A 74 7.026 -11.626 7.987 1.00 1.15 H new ATOM 0 HD2 ARG A 74 9.981 -11.017 8.350 1.00 1.07 H new ATOM 0 HD3 ARG A 74 9.257 -12.539 8.828 1.00 1.07 H new ATOM 0 HE ARG A 74 8.528 -12.720 6.356 1.00 1.72 H new ATOM 0 HH11 ARG A 74 11.353 -10.851 7.376 1.00 2.13 H new ATOM 0 HH12 ARG A 74 12.233 -11.148 5.873 1.00 2.13 H new ATOM 0 HH21 ARG A 74 9.699 -13.153 4.462 1.00 3.12 H new ATOM 0 HH22 ARG A 74 11.301 -12.445 4.232 1.00 3.12 H new ATOM 1288 N SER A 75 6.615 -7.599 9.915 1.00 0.67 N ATOM 1289 CA SER A 75 6.398 -7.308 11.324 1.00 0.71 C ATOM 1290 C SER A 75 4.963 -6.844 11.560 1.00 0.65 C ATOM 1291 O SER A 75 4.401 -7.044 12.637 1.00 0.70 O ATOM 1292 CB SER A 75 7.378 -6.232 11.796 1.00 0.71 C ATOM 1293 OG SER A 75 8.719 -6.597 11.506 1.00 1.33 O ATOM 0 H SER A 75 7.124 -6.875 9.408 1.00 0.67 H new ATOM 0 HA SER A 75 6.568 -8.221 11.895 1.00 0.71 H new ATOM 0 HB2 SER A 75 7.143 -5.284 11.311 1.00 0.71 H new ATOM 0 HB3 SER A 75 7.264 -6.078 12.869 1.00 0.71 H new ATOM 0 HG SER A 75 8.857 -6.590 10.536 1.00 1.33 H new ATOM 1299 N ARG A 76 4.369 -6.240 10.538 1.00 0.60 N ATOM 1300 CA ARG A 76 3.024 -5.691 10.647 1.00 0.60 C ATOM 1301 C ARG A 76 1.979 -6.739 10.268 1.00 0.66 C ATOM 1302 O ARG A 76 0.777 -6.457 10.233 1.00 0.70 O ATOM 1303 CB ARG A 76 2.884 -4.451 9.758 1.00 0.58 C ATOM 1304 CG ARG A 76 1.679 -3.575 10.089 1.00 1.15 C ATOM 1305 CD ARG A 76 1.834 -2.870 11.433 1.00 1.27 C ATOM 1306 NE ARG A 76 1.795 -3.800 12.565 1.00 1.86 N ATOM 1307 CZ ARG A 76 2.541 -3.667 13.665 1.00 2.28 C ATOM 1308 NH1 ARG A 76 3.383 -2.646 13.784 1.00 2.42 N ATOM 1309 NH2 ARG A 76 2.446 -4.560 14.644 1.00 3.11 N ATOM 0 H ARG A 76 4.800 -6.118 9.622 1.00 0.60 H new ATOM 0 HA ARG A 76 2.854 -5.400 11.684 1.00 0.60 H new ATOM 0 HB2 ARG A 76 3.790 -3.851 9.846 1.00 0.58 H new ATOM 0 HB3 ARG A 76 2.812 -4.770 8.718 1.00 0.58 H new ATOM 0 HG2 ARG A 76 1.545 -2.831 9.303 1.00 1.15 H new ATOM 0 HG3 ARG A 76 0.778 -4.189 10.104 1.00 1.15 H new ATOM 0 HD2 ARG A 76 2.778 -2.326 11.447 1.00 1.27 H new ATOM 0 HD3 ARG A 76 1.039 -2.132 11.546 1.00 1.27 H new ATOM 0 HE ARG A 76 1.160 -4.596 12.510 1.00 1.86 H new ATOM 0 HH11 ARG A 76 3.462 -1.960 13.034 1.00 2.42 H new ATOM 0 HH12 ARG A 76 3.951 -2.549 14.626 1.00 2.42 H new ATOM 0 HH21 ARG A 76 1.803 -5.347 14.556 1.00 3.11 H new ATOM 0 HH22 ARG A 76 3.016 -4.458 15.484 1.00 3.11 H new ATOM 1323 N MET A 77 2.445 -7.946 9.976 1.00 0.71 N ATOM 1324 CA MET A 77 1.555 -9.060 9.682 1.00 0.80 C ATOM 1325 C MET A 77 0.767 -9.447 10.921 1.00 0.82 C ATOM 1326 O MET A 77 1.323 -9.533 12.017 1.00 0.81 O ATOM 1327 CB MET A 77 2.344 -10.273 9.184 1.00 0.89 C ATOM 1328 CG MET A 77 2.913 -10.113 7.787 1.00 1.02 C ATOM 1329 SD MET A 77 3.823 -11.570 7.246 1.00 1.28 S ATOM 1330 CE MET A 77 4.213 -11.111 5.561 1.00 1.06 C ATOM 0 H MET A 77 3.437 -8.178 9.937 1.00 0.71 H new ATOM 0 HA MET A 77 0.867 -8.741 8.899 1.00 0.80 H new ATOM 0 HB2 MET A 77 3.162 -10.470 9.877 1.00 0.89 H new ATOM 0 HB3 MET A 77 1.694 -11.148 9.202 1.00 0.89 H new ATOM 0 HG2 MET A 77 2.101 -9.914 7.087 1.00 1.02 H new ATOM 0 HG3 MET A 77 3.573 -9.246 7.764 1.00 1.02 H new ATOM 0 HE1 MET A 77 4.153 -11.991 4.921 1.00 1.06 H new ATOM 0 HE2 MET A 77 3.502 -10.361 5.214 1.00 1.06 H new ATOM 0 HE3 MET A 77 5.222 -10.701 5.520 1.00 1.06 H new ATOM 1340 N VAL A 78 -0.529 -9.662 10.746 1.00 0.89 N ATOM 1341 CA VAL A 78 -1.379 -10.115 11.844 1.00 0.97 C ATOM 1342 C VAL A 78 -1.179 -11.606 12.088 1.00 1.00 C ATOM 1343 O VAL A 78 -1.579 -12.140 13.122 1.00 1.07 O ATOM 1344 CB VAL A 78 -2.874 -9.833 11.580 1.00 1.02 C ATOM 1345 CG1 VAL A 78 -3.122 -8.338 11.448 1.00 1.28 C ATOM 1346 CG2 VAL A 78 -3.355 -10.570 10.340 1.00 1.66 C ATOM 0 H VAL A 78 -1.016 -9.532 9.859 1.00 0.89 H new ATOM 0 HA VAL A 78 -1.083 -9.552 12.729 1.00 0.97 H new ATOM 0 HB VAL A 78 -3.444 -10.201 12.433 1.00 1.02 H new ATOM 0 HG11 VAL A 78 -4.181 -8.160 11.262 1.00 1.28 H new ATOM 0 HG12 VAL A 78 -2.826 -7.837 12.370 1.00 1.28 H new ATOM 0 HG13 VAL A 78 -2.537 -7.944 10.617 1.00 1.28 H new ATOM 0 HG21 VAL A 78 -4.411 -10.355 10.176 1.00 1.66 H new ATOM 0 HG22 VAL A 78 -2.779 -10.241 9.475 1.00 1.66 H new ATOM 0 HG23 VAL A 78 -3.221 -11.643 10.479 1.00 1.66 H new ATOM 1356 N LEU A 79 -0.561 -12.269 11.123 1.00 1.03 N ATOM 1357 CA LEU A 79 -0.205 -13.671 11.248 1.00 1.12 C ATOM 1358 C LEU A 79 1.293 -13.791 11.472 1.00 1.09 C ATOM 1359 O LEU A 79 2.076 -13.091 10.826 1.00 1.19 O ATOM 1360 CB LEU A 79 -0.599 -14.435 9.981 1.00 1.35 C ATOM 1361 CG LEU A 79 -0.280 -15.931 9.987 1.00 1.60 C ATOM 1362 CD1 LEU A 79 -1.191 -16.673 10.951 1.00 2.06 C ATOM 1363 CD2 LEU A 79 -0.402 -16.507 8.586 1.00 2.29 C ATOM 0 H LEU A 79 -0.293 -11.850 10.233 1.00 1.03 H new ATOM 0 HA LEU A 79 -0.740 -14.100 12.096 1.00 1.12 H new ATOM 0 HB2 LEU A 79 -1.670 -14.310 9.821 1.00 1.35 H new ATOM 0 HB3 LEU A 79 -0.094 -13.977 9.130 1.00 1.35 H new ATOM 0 HG LEU A 79 0.748 -16.059 10.325 1.00 1.60 H new ATOM 0 HD11 LEU A 79 -0.946 -17.735 10.939 1.00 2.06 H new ATOM 0 HD12 LEU A 79 -1.052 -16.280 11.958 1.00 2.06 H new ATOM 0 HD13 LEU A 79 -2.229 -16.537 10.648 1.00 2.06 H new ATOM 0 HD21 LEU A 79 -0.172 -17.572 8.609 1.00 2.29 H new ATOM 0 HD22 LEU A 79 -1.419 -16.364 8.221 1.00 2.29 H new ATOM 0 HD23 LEU A 79 0.297 -15.999 7.922 1.00 2.29 H new ATOM 1375 N ARG A 80 1.694 -14.658 12.387 1.00 1.18 N ATOM 1376 CA ARG A 80 3.106 -14.870 12.643 1.00 1.28 C ATOM 1377 C ARG A 80 3.695 -15.767 11.567 1.00 1.31 C ATOM 1378 O ARG A 80 3.268 -16.909 11.395 1.00 1.48 O ATOM 1379 CB ARG A 80 3.313 -15.493 14.024 1.00 1.62 C ATOM 1380 CG ARG A 80 4.771 -15.722 14.375 1.00 2.43 C ATOM 1381 CD ARG A 80 4.924 -16.282 15.777 1.00 2.82 C ATOM 1382 NE ARG A 80 6.327 -16.451 16.147 1.00 3.25 N ATOM 1383 CZ ARG A 80 6.889 -15.896 17.221 1.00 3.84 C ATOM 1384 NH1 ARG A 80 6.189 -15.083 18.005 1.00 4.09 N ATOM 1385 NH2 ARG A 80 8.162 -16.140 17.500 1.00 4.54 N ATOM 0 H ARG A 80 1.066 -15.222 12.960 1.00 1.18 H new ATOM 0 HA ARG A 80 3.616 -13.907 12.622 1.00 1.28 H new ATOM 0 HB2 ARG A 80 2.864 -14.845 14.777 1.00 1.62 H new ATOM 0 HB3 ARG A 80 2.784 -16.445 14.067 1.00 1.62 H new ATOM 0 HG2 ARG A 80 5.215 -16.411 13.656 1.00 2.43 H new ATOM 0 HG3 ARG A 80 5.317 -14.782 14.296 1.00 2.43 H new ATOM 0 HD2 ARG A 80 4.439 -15.615 16.489 1.00 2.82 H new ATOM 0 HD3 ARG A 80 4.413 -17.243 15.842 1.00 2.82 H new ATOM 0 HE ARG A 80 6.913 -17.030 15.546 1.00 3.25 H new ATOM 0 HH11 ARG A 80 5.214 -14.879 17.787 1.00 4.09 H new ATOM 0 HH12 ARG A 80 6.627 -14.663 18.825 1.00 4.09 H new ATOM 0 HH21 ARG A 80 8.709 -16.751 16.894 1.00 4.54 H new ATOM 0 HH22 ARG A 80 8.594 -15.717 18.321 1.00 4.54 H new ATOM 1399 N ALA A 81 4.674 -15.246 10.844 1.00 1.49 N ATOM 1400 CA ALA A 81 5.307 -15.985 9.767 1.00 1.84 C ATOM 1401 C ALA A 81 6.678 -15.410 9.452 1.00 1.79 C ATOM 1402 O ALA A 81 6.836 -14.198 9.314 1.00 2.59 O ATOM 1403 CB ALA A 81 4.433 -15.962 8.519 1.00 2.91 C ATOM 0 H ALA A 81 5.048 -14.308 10.986 1.00 1.49 H new ATOM 0 HA ALA A 81 5.430 -17.018 10.092 1.00 1.84 H new ATOM 0 HB1 ALA A 81 4.923 -16.521 7.721 1.00 2.91 H new ATOM 0 HB2 ALA A 81 3.468 -16.418 8.742 1.00 2.91 H new ATOM 0 HB3 ALA A 81 4.282 -14.931 8.200 1.00 2.91 H new ATOM 1409 N THR A 82 7.667 -16.280 9.351 1.00 1.83 N ATOM 1410 CA THR A 82 9.007 -15.869 8.969 1.00 2.56 C ATOM 1411 C THR A 82 9.257 -16.266 7.513 1.00 2.23 C ATOM 1412 O THR A 82 10.388 -16.257 7.023 1.00 2.92 O ATOM 1413 CB THR A 82 10.070 -16.499 9.905 1.00 3.57 C ATOM 1414 OG1 THR A 82 11.362 -15.924 9.667 1.00 4.30 O ATOM 1415 CG2 THR A 82 10.143 -18.009 9.721 1.00 4.27 C ATOM 0 H THR A 82 7.567 -17.279 9.529 1.00 1.83 H new ATOM 0 HA THR A 82 9.091 -14.787 9.066 1.00 2.56 H new ATOM 0 HB THR A 82 9.767 -16.287 10.930 1.00 3.57 H new ATOM 0 HG1 THR A 82 11.505 -15.829 8.702 1.00 4.30 H new ATOM 0 HG21 THR A 82 10.897 -18.421 10.391 1.00 4.27 H new ATOM 0 HG22 THR A 82 9.173 -18.451 9.951 1.00 4.27 H new ATOM 0 HG23 THR A 82 10.411 -18.237 8.689 1.00 4.27 H new ATOM 1423 N GLU A 83 8.168 -16.596 6.827 1.00 1.53 N ATOM 1424 CA GLU A 83 8.220 -17.047 5.444 1.00 1.50 C ATOM 1425 C GLU A 83 8.692 -15.945 4.507 1.00 1.17 C ATOM 1426 O GLU A 83 8.592 -14.751 4.814 1.00 1.67 O ATOM 1427 CB GLU A 83 6.839 -17.534 4.998 1.00 2.09 C ATOM 1428 CG GLU A 83 6.343 -18.741 5.770 1.00 2.50 C ATOM 1429 CD GLU A 83 7.352 -19.867 5.781 1.00 2.97 C ATOM 1430 OE1 GLU A 83 7.536 -20.520 4.732 1.00 3.64 O ATOM 1431 OE2 GLU A 83 7.980 -20.095 6.836 1.00 3.25 O ATOM 0 H GLU A 83 7.226 -16.558 7.215 1.00 1.53 H new ATOM 0 HA GLU A 83 8.938 -17.866 5.395 1.00 1.50 H new ATOM 0 HB2 GLU A 83 6.122 -16.721 5.111 1.00 2.09 H new ATOM 0 HB3 GLU A 83 6.875 -17.781 3.937 1.00 2.09 H new ATOM 0 HG2 GLU A 83 6.118 -18.447 6.795 1.00 2.50 H new ATOM 0 HG3 GLU A 83 5.411 -19.095 5.328 1.00 2.50 H new ATOM 1438 N ALA A 84 9.209 -16.362 3.364 1.00 1.00 N ATOM 1439 CA ALA A 84 9.645 -15.444 2.335 1.00 0.89 C ATOM 1440 C ALA A 84 8.444 -14.967 1.538 1.00 0.77 C ATOM 1441 O ALA A 84 7.533 -15.747 1.246 1.00 0.92 O ATOM 1442 CB ALA A 84 10.659 -16.116 1.423 1.00 1.27 C ATOM 0 H ALA A 84 9.337 -17.346 3.127 1.00 1.00 H new ATOM 0 HA ALA A 84 10.125 -14.584 2.801 1.00 0.89 H new ATOM 0 HB1 ALA A 84 10.978 -15.413 0.653 1.00 1.27 H new ATOM 0 HB2 ALA A 84 11.523 -16.430 2.009 1.00 1.27 H new ATOM 0 HB3 ALA A 84 10.204 -16.987 0.952 1.00 1.27 H new ATOM 1448 N PHE A 85 8.433 -13.690 1.204 1.00 0.63 N ATOM 1449 CA PHE A 85 7.327 -13.120 0.461 1.00 0.53 C ATOM 1450 C PHE A 85 7.800 -11.929 -0.356 1.00 0.51 C ATOM 1451 O PHE A 85 8.751 -11.242 0.020 1.00 0.58 O ATOM 1452 CB PHE A 85 6.181 -12.725 1.406 1.00 0.50 C ATOM 1453 CG PHE A 85 6.417 -11.482 2.214 1.00 0.50 C ATOM 1454 CD1 PHE A 85 7.419 -11.427 3.171 1.00 1.33 C ATOM 1455 CD2 PHE A 85 5.620 -10.370 2.019 1.00 1.08 C ATOM 1456 CE1 PHE A 85 7.620 -10.282 3.915 1.00 1.38 C ATOM 1457 CE2 PHE A 85 5.813 -9.223 2.759 1.00 1.09 C ATOM 1458 CZ PHE A 85 6.815 -9.177 3.709 1.00 0.62 C ATOM 0 H PHE A 85 9.176 -13.030 1.435 1.00 0.63 H new ATOM 0 HA PHE A 85 6.944 -13.874 -0.226 1.00 0.53 H new ATOM 0 HB2 PHE A 85 5.275 -12.588 0.815 1.00 0.50 H new ATOM 0 HB3 PHE A 85 5.994 -13.553 2.090 1.00 0.50 H new ATOM 0 HD1 PHE A 85 8.049 -12.289 3.336 1.00 1.33 H new ATOM 0 HD2 PHE A 85 4.836 -10.400 1.277 1.00 1.08 H new ATOM 0 HE1 PHE A 85 8.404 -10.249 4.657 1.00 1.38 H new ATOM 0 HE2 PHE A 85 5.182 -8.362 2.596 1.00 1.09 H new ATOM 0 HZ PHE A 85 6.969 -8.280 4.290 1.00 0.62 H new ATOM 1468 N TYR A 86 7.141 -11.697 -1.474 1.00 0.49 N ATOM 1469 CA TYR A 86 7.543 -10.657 -2.401 1.00 0.55 C ATOM 1470 C TYR A 86 6.668 -9.425 -2.249 1.00 0.53 C ATOM 1471 O TYR A 86 5.442 -9.525 -2.164 1.00 0.48 O ATOM 1472 CB TYR A 86 7.462 -11.164 -3.843 1.00 0.65 C ATOM 1473 CG TYR A 86 8.375 -12.331 -4.137 1.00 0.96 C ATOM 1474 CD1 TYR A 86 9.707 -12.125 -4.469 1.00 1.96 C ATOM 1475 CD2 TYR A 86 7.905 -13.637 -4.086 1.00 1.54 C ATOM 1476 CE1 TYR A 86 10.546 -13.188 -4.740 1.00 2.64 C ATOM 1477 CE2 TYR A 86 8.738 -14.705 -4.357 1.00 2.12 C ATOM 1478 CZ TYR A 86 10.058 -14.475 -4.683 1.00 2.49 C ATOM 1479 OH TYR A 86 10.893 -15.535 -4.950 1.00 3.30 O ATOM 0 H TYR A 86 6.316 -12.221 -1.765 1.00 0.49 H new ATOM 0 HA TYR A 86 8.574 -10.387 -2.171 1.00 0.55 H new ATOM 0 HB2 TYR A 86 6.434 -11.457 -4.057 1.00 0.65 H new ATOM 0 HB3 TYR A 86 7.707 -10.345 -4.519 1.00 0.65 H new ATOM 0 HD1 TYR A 86 10.093 -11.118 -4.516 1.00 1.96 H new ATOM 0 HD2 TYR A 86 6.872 -13.820 -3.830 1.00 1.54 H new ATOM 0 HE1 TYR A 86 11.580 -13.011 -4.996 1.00 2.64 H new ATOM 0 HE2 TYR A 86 8.358 -15.715 -4.314 1.00 2.12 H new ATOM 0 HH TYR A 86 10.394 -16.374 -4.866 1.00 3.30 H new ATOM 1489 N LEU A 87 7.308 -8.269 -2.201 1.00 0.62 N ATOM 1490 CA LEU A 87 6.605 -7.003 -2.219 1.00 0.63 C ATOM 1491 C LEU A 87 6.728 -6.403 -3.612 1.00 0.67 C ATOM 1492 O LEU A 87 7.813 -6.009 -4.039 1.00 0.91 O ATOM 1493 CB LEU A 87 7.184 -6.059 -1.148 1.00 0.81 C ATOM 1494 CG LEU A 87 6.402 -4.760 -0.879 1.00 0.83 C ATOM 1495 CD1 LEU A 87 6.671 -3.719 -1.955 1.00 1.44 C ATOM 1496 CD2 LEU A 87 4.912 -5.040 -0.774 1.00 1.56 C ATOM 0 H LEU A 87 8.323 -8.184 -2.149 1.00 0.62 H new ATOM 0 HA LEU A 87 5.551 -7.152 -1.986 1.00 0.63 H new ATOM 0 HB2 LEU A 87 7.259 -6.612 -0.211 1.00 0.81 H new ATOM 0 HB3 LEU A 87 8.199 -5.791 -1.442 1.00 0.81 H new ATOM 0 HG LEU A 87 6.748 -4.358 0.073 1.00 0.83 H new ATOM 0 HD11 LEU A 87 6.104 -2.814 -1.736 1.00 1.44 H new ATOM 0 HD12 LEU A 87 7.735 -3.484 -1.976 1.00 1.44 H new ATOM 0 HD13 LEU A 87 6.367 -4.112 -2.925 1.00 1.44 H new ATOM 0 HD21 LEU A 87 4.379 -4.108 -0.584 1.00 1.56 H new ATOM 0 HD22 LEU A 87 4.557 -5.477 -1.707 1.00 1.56 H new ATOM 0 HD23 LEU A 87 4.729 -5.736 0.045 1.00 1.56 H new ATOM 1508 N LEU A 88 5.616 -6.356 -4.321 1.00 0.52 N ATOM 1509 CA LEU A 88 5.591 -5.852 -5.681 1.00 0.60 C ATOM 1510 C LEU A 88 5.061 -4.429 -5.695 1.00 0.69 C ATOM 1511 O LEU A 88 4.072 -4.125 -5.032 1.00 0.75 O ATOM 1512 CB LEU A 88 4.706 -6.742 -6.558 1.00 0.63 C ATOM 1513 CG LEU A 88 5.049 -8.235 -6.541 1.00 0.70 C ATOM 1514 CD1 LEU A 88 4.036 -9.025 -7.355 1.00 1.54 C ATOM 1515 CD2 LEU A 88 6.456 -8.472 -7.071 1.00 1.48 C ATOM 0 H LEU A 88 4.708 -6.665 -3.972 1.00 0.52 H new ATOM 0 HA LEU A 88 6.606 -5.861 -6.078 1.00 0.60 H new ATOM 0 HB2 LEU A 88 3.671 -6.621 -6.239 1.00 0.63 H new ATOM 0 HB3 LEU A 88 4.767 -6.385 -7.586 1.00 0.63 H new ATOM 0 HG LEU A 88 5.009 -8.581 -5.508 1.00 0.70 H new ATOM 0 HD11 LEU A 88 4.296 -10.083 -7.331 1.00 1.54 H new ATOM 0 HD12 LEU A 88 3.041 -8.886 -6.932 1.00 1.54 H new ATOM 0 HD13 LEU A 88 4.044 -8.673 -8.386 1.00 1.54 H new ATOM 0 HD21 LEU A 88 6.678 -9.539 -7.050 1.00 1.48 H new ATOM 0 HD22 LEU A 88 6.525 -8.107 -8.096 1.00 1.48 H new ATOM 0 HD23 LEU A 88 7.174 -7.940 -6.447 1.00 1.48 H new ATOM 1527 N VAL A 89 5.700 -3.559 -6.457 1.00 0.78 N ATOM 1528 CA VAL A 89 5.254 -2.178 -6.541 1.00 0.93 C ATOM 1529 C VAL A 89 4.492 -1.963 -7.837 1.00 1.07 C ATOM 1530 O VAL A 89 4.963 -2.346 -8.913 1.00 1.19 O ATOM 1531 CB VAL A 89 6.426 -1.177 -6.470 1.00 1.10 C ATOM 1532 CG1 VAL A 89 5.903 0.243 -6.335 1.00 1.31 C ATOM 1533 CG2 VAL A 89 7.363 -1.520 -5.322 1.00 1.11 C ATOM 0 H VAL A 89 6.521 -3.780 -7.021 1.00 0.78 H new ATOM 0 HA VAL A 89 4.607 -1.995 -5.683 1.00 0.93 H new ATOM 0 HB VAL A 89 6.994 -1.247 -7.398 1.00 1.10 H new ATOM 0 HG11 VAL A 89 6.742 0.937 -6.286 1.00 1.31 H new ATOM 0 HG12 VAL A 89 5.282 0.485 -7.197 1.00 1.31 H new ATOM 0 HG13 VAL A 89 5.309 0.327 -5.425 1.00 1.31 H new ATOM 0 HG21 VAL A 89 8.181 -0.800 -5.293 1.00 1.11 H new ATOM 0 HG22 VAL A 89 6.814 -1.484 -4.381 1.00 1.11 H new ATOM 0 HG23 VAL A 89 7.766 -2.522 -5.469 1.00 1.11 H new ATOM 1543 N ASN A 90 3.301 -1.379 -7.717 1.00 1.13 N ATOM 1544 CA ASN A 90 2.398 -1.175 -8.850 1.00 1.36 C ATOM 1545 C ASN A 90 2.065 -2.523 -9.494 1.00 1.43 C ATOM 1546 O ASN A 90 1.810 -2.617 -10.694 1.00 1.64 O ATOM 1547 CB ASN A 90 3.021 -0.212 -9.873 1.00 1.58 C ATOM 1548 CG ASN A 90 1.994 0.432 -10.792 1.00 1.62 C ATOM 1549 OD1 ASN A 90 1.681 -0.087 -11.864 1.00 2.22 O ATOM 1550 ND2 ASN A 90 1.465 1.574 -10.380 1.00 1.89 N ATOM 0 H ASN A 90 2.934 -1.033 -6.830 1.00 1.13 H new ATOM 0 HA ASN A 90 1.473 -0.723 -8.492 1.00 1.36 H new ATOM 0 HB2 ASN A 90 3.565 0.569 -9.342 1.00 1.58 H new ATOM 0 HB3 ASN A 90 3.749 -0.754 -10.476 1.00 1.58 H new ATOM 0 HD21 ASN A 90 0.774 2.053 -10.957 1.00 1.89 H new ATOM 0 HD22 ASN A 90 1.749 1.974 -9.486 1.00 1.89 H new ATOM 1557 N ASN A 91 2.078 -3.568 -8.660 1.00 1.31 N ATOM 1558 CA ASN A 91 1.774 -4.941 -9.079 1.00 1.48 C ATOM 1559 C ASN A 91 2.721 -5.434 -10.177 1.00 1.59 C ATOM 1560 O ASN A 91 2.392 -6.371 -10.902 1.00 1.80 O ATOM 1561 CB ASN A 91 0.321 -5.062 -9.566 1.00 1.73 C ATOM 1562 CG ASN A 91 -0.695 -4.728 -8.491 1.00 2.02 C ATOM 1563 OD1 ASN A 91 -1.105 -5.591 -7.711 1.00 2.53 O ATOM 1564 ND2 ASN A 91 -1.126 -3.478 -8.453 1.00 2.31 N ATOM 0 H ASN A 91 2.301 -3.485 -7.668 1.00 1.31 H new ATOM 0 HA ASN A 91 1.915 -5.570 -8.200 1.00 1.48 H new ATOM 0 HB2 ASN A 91 0.173 -4.398 -10.417 1.00 1.73 H new ATOM 0 HB3 ASN A 91 0.146 -6.078 -9.920 1.00 1.73 H new ATOM 0 HD21 ASN A 91 -1.822 -3.199 -7.761 1.00 2.31 H new ATOM 0 HD22 ASN A 91 -0.763 -2.793 -9.115 1.00 2.31 H new ATOM 1571 N LYS A 92 3.895 -4.816 -10.299 1.00 1.53 N ATOM 1572 CA LYS A 92 4.826 -5.174 -11.370 1.00 1.72 C ATOM 1573 C LYS A 92 6.266 -5.268 -10.873 1.00 1.45 C ATOM 1574 O LYS A 92 6.927 -6.292 -11.060 1.00 1.47 O ATOM 1575 CB LYS A 92 4.748 -4.153 -12.512 1.00 2.06 C ATOM 1576 CG LYS A 92 3.394 -4.098 -13.204 1.00 2.55 C ATOM 1577 CD LYS A 92 3.049 -5.422 -13.873 1.00 3.00 C ATOM 1578 CE LYS A 92 1.678 -5.376 -14.526 1.00 3.63 C ATOM 1579 NZ LYS A 92 1.575 -4.283 -15.527 1.00 3.95 N ATOM 0 H LYS A 92 4.222 -4.075 -9.679 1.00 1.53 H new ATOM 0 HA LYS A 92 4.529 -6.158 -11.733 1.00 1.72 H new ATOM 0 HB2 LYS A 92 4.983 -3.164 -12.118 1.00 2.06 H new ATOM 0 HB3 LYS A 92 5.513 -4.392 -13.251 1.00 2.06 H new ATOM 0 HG2 LYS A 92 2.623 -3.847 -12.476 1.00 2.55 H new ATOM 0 HG3 LYS A 92 3.399 -3.304 -13.950 1.00 2.55 H new ATOM 0 HD2 LYS A 92 3.803 -5.659 -14.624 1.00 3.00 H new ATOM 0 HD3 LYS A 92 3.074 -6.222 -13.133 1.00 3.00 H new ATOM 0 HE2 LYS A 92 1.475 -6.331 -15.010 1.00 3.63 H new ATOM 0 HE3 LYS A 92 0.916 -5.238 -13.759 1.00 3.63 H new ATOM 0 HZ1 LYS A 92 0.718 -4.418 -16.101 1.00 3.95 H new ATOM 0 HZ2 LYS A 92 1.523 -3.367 -15.037 1.00 3.95 H new ATOM 0 HZ3 LYS A 92 2.412 -4.298 -16.145 1.00 3.95 H new ATOM 1593 N SER A 93 6.744 -4.200 -10.248 1.00 1.35 N ATOM 1594 CA SER A 93 8.142 -4.105 -9.837 1.00 1.32 C ATOM 1595 C SER A 93 8.486 -5.171 -8.801 1.00 0.95 C ATOM 1596 O SER A 93 7.664 -5.501 -7.943 1.00 0.79 O ATOM 1597 CB SER A 93 8.418 -2.717 -9.264 1.00 1.67 C ATOM 1598 OG SER A 93 9.804 -2.499 -9.080 1.00 2.32 O ATOM 0 H SER A 93 6.182 -3.382 -10.013 1.00 1.35 H new ATOM 0 HA SER A 93 8.768 -4.270 -10.714 1.00 1.32 H new ATOM 0 HB2 SER A 93 8.015 -1.958 -9.935 1.00 1.67 H new ATOM 0 HB3 SER A 93 7.901 -2.606 -8.311 1.00 1.67 H new ATOM 0 HG SER A 93 10.046 -1.617 -9.431 1.00 2.32 H new ATOM 1604 N LEU A 94 9.702 -5.697 -8.890 1.00 0.99 N ATOM 1605 CA LEU A 94 10.164 -6.732 -7.978 1.00 0.89 C ATOM 1606 C LEU A 94 10.816 -6.107 -6.749 1.00 1.29 C ATOM 1607 O LEU A 94 10.941 -4.885 -6.653 1.00 1.99 O ATOM 1608 CB LEU A 94 11.155 -7.660 -8.687 1.00 1.28 C ATOM 1609 CG LEU A 94 10.581 -8.452 -9.867 1.00 1.37 C ATOM 1610 CD1 LEU A 94 11.663 -9.299 -10.517 1.00 1.82 C ATOM 1611 CD2 LEU A 94 9.424 -9.331 -9.412 1.00 2.04 C ATOM 0 H LEU A 94 10.389 -5.420 -9.591 1.00 0.99 H new ATOM 0 HA LEU A 94 9.303 -7.318 -7.655 1.00 0.89 H new ATOM 0 HB2 LEU A 94 11.994 -7.063 -9.045 1.00 1.28 H new ATOM 0 HB3 LEU A 94 11.554 -8.365 -7.957 1.00 1.28 H new ATOM 0 HG LEU A 94 10.206 -7.742 -10.604 1.00 1.37 H new ATOM 0 HD11 LEU A 94 11.237 -9.854 -11.353 1.00 1.82 H new ATOM 0 HD12 LEU A 94 12.462 -8.653 -10.880 1.00 1.82 H new ATOM 0 HD13 LEU A 94 12.067 -9.998 -9.785 1.00 1.82 H new ATOM 0 HD21 LEU A 94 9.031 -9.885 -10.264 1.00 2.04 H new ATOM 0 HD22 LEU A 94 9.775 -10.032 -8.655 1.00 2.04 H new ATOM 0 HD23 LEU A 94 8.636 -8.706 -8.990 1.00 2.04 H new ATOM 1623 N VAL A 95 11.242 -6.952 -5.819 1.00 1.62 N ATOM 1624 CA VAL A 95 11.782 -6.486 -4.549 1.00 2.26 C ATOM 1625 C VAL A 95 13.244 -6.076 -4.691 1.00 1.64 C ATOM 1626 O VAL A 95 14.149 -6.805 -4.277 1.00 1.76 O ATOM 1627 CB VAL A 95 11.663 -7.568 -3.454 1.00 3.39 C ATOM 1628 CG1 VAL A 95 11.935 -6.979 -2.076 1.00 4.29 C ATOM 1629 CG2 VAL A 95 10.297 -8.231 -3.499 1.00 3.92 C ATOM 0 H VAL A 95 11.224 -7.967 -5.921 1.00 1.62 H new ATOM 0 HA VAL A 95 11.192 -5.618 -4.254 1.00 2.26 H new ATOM 0 HB VAL A 95 12.417 -8.331 -3.648 1.00 3.39 H new ATOM 0 HG11 VAL A 95 11.845 -7.761 -1.322 1.00 4.29 H new ATOM 0 HG12 VAL A 95 12.943 -6.564 -2.050 1.00 4.29 H new ATOM 0 HG13 VAL A 95 11.212 -6.190 -1.868 1.00 4.29 H new ATOM 0 HG21 VAL A 95 10.235 -8.990 -2.719 1.00 3.92 H new ATOM 0 HG22 VAL A 95 9.523 -7.481 -3.338 1.00 3.92 H new ATOM 0 HG23 VAL A 95 10.151 -8.699 -4.473 1.00 3.92 H new ATOM 1639 N SER A 96 13.469 -4.918 -5.292 1.00 1.30 N ATOM 1640 CA SER A 96 14.808 -4.365 -5.414 1.00 0.98 C ATOM 1641 C SER A 96 15.301 -3.905 -4.046 1.00 0.84 C ATOM 1642 O SER A 96 14.951 -2.824 -3.580 1.00 0.92 O ATOM 1643 CB SER A 96 14.797 -3.200 -6.400 1.00 1.28 C ATOM 1644 OG SER A 96 14.131 -3.558 -7.603 1.00 1.90 O ATOM 0 H SER A 96 12.737 -4.340 -5.705 1.00 1.30 H new ATOM 0 HA SER A 96 15.486 -5.132 -5.789 1.00 0.98 H new ATOM 0 HB2 SER A 96 14.302 -2.341 -5.948 1.00 1.28 H new ATOM 0 HB3 SER A 96 15.820 -2.898 -6.623 1.00 1.28 H new ATOM 0 HG SER A 96 14.135 -2.795 -8.219 1.00 1.90 H new ATOM 1650 N MET A 97 16.118 -4.736 -3.411 1.00 0.90 N ATOM 1651 CA MET A 97 16.546 -4.502 -2.034 1.00 0.98 C ATOM 1652 C MET A 97 17.304 -3.188 -1.889 1.00 0.85 C ATOM 1653 O MET A 97 17.262 -2.554 -0.835 1.00 1.03 O ATOM 1654 CB MET A 97 17.416 -5.662 -1.543 1.00 1.25 C ATOM 1655 CG MET A 97 16.704 -7.006 -1.553 1.00 1.56 C ATOM 1656 SD MET A 97 17.759 -8.367 -1.007 1.00 2.24 S ATOM 1657 CE MET A 97 18.073 -7.900 0.692 1.00 2.85 C ATOM 0 H MET A 97 16.501 -5.584 -3.829 1.00 0.90 H new ATOM 0 HA MET A 97 15.647 -4.437 -1.421 1.00 0.98 H new ATOM 0 HB2 MET A 97 18.306 -5.727 -2.169 1.00 1.25 H new ATOM 0 HB3 MET A 97 17.754 -5.447 -0.529 1.00 1.25 H new ATOM 0 HG2 MET A 97 15.827 -6.951 -0.908 1.00 1.56 H new ATOM 0 HG3 MET A 97 16.345 -7.213 -2.561 1.00 1.56 H new ATOM 0 HE1 MET A 97 18.756 -8.618 1.146 1.00 2.85 H new ATOM 0 HE2 MET A 97 18.520 -6.906 0.720 1.00 2.85 H new ATOM 0 HE3 MET A 97 17.134 -7.891 1.246 1.00 2.85 H new ATOM 1667 N SER A 98 17.958 -2.767 -2.958 1.00 0.68 N ATOM 1668 CA SER A 98 18.796 -1.577 -2.922 1.00 0.71 C ATOM 1669 C SER A 98 17.999 -0.327 -3.276 1.00 0.61 C ATOM 1670 O SER A 98 18.513 0.788 -3.212 1.00 0.71 O ATOM 1671 CB SER A 98 19.970 -1.742 -3.886 1.00 0.83 C ATOM 1672 OG SER A 98 20.675 -2.947 -3.626 1.00 1.60 O ATOM 0 H SER A 98 17.926 -3.232 -3.865 1.00 0.68 H new ATOM 0 HA SER A 98 19.174 -1.457 -1.907 1.00 0.71 H new ATOM 0 HB2 SER A 98 19.605 -1.744 -4.913 1.00 0.83 H new ATOM 0 HB3 SER A 98 20.646 -0.893 -3.790 1.00 0.83 H new ATOM 0 HG SER A 98 21.421 -3.032 -4.256 1.00 1.60 H new ATOM 1678 N ALA A 99 16.739 -0.514 -3.639 1.00 0.49 N ATOM 1679 CA ALA A 99 15.891 0.600 -4.028 1.00 0.46 C ATOM 1680 C ALA A 99 15.262 1.256 -2.806 1.00 0.43 C ATOM 1681 O ALA A 99 14.749 0.576 -1.913 1.00 0.44 O ATOM 1682 CB ALA A 99 14.818 0.136 -4.999 1.00 0.51 C ATOM 0 H ALA A 99 16.283 -1.426 -3.672 1.00 0.49 H new ATOM 0 HA ALA A 99 16.512 1.343 -4.528 1.00 0.46 H new ATOM 0 HB1 ALA A 99 14.191 0.982 -5.280 1.00 0.51 H new ATOM 0 HB2 ALA A 99 15.289 -0.279 -5.890 1.00 0.51 H new ATOM 0 HB3 ALA A 99 14.203 -0.628 -4.524 1.00 0.51 H new ATOM 1688 N THR A 100 15.321 2.575 -2.767 1.00 0.42 N ATOM 1689 CA THR A 100 14.744 3.339 -1.675 1.00 0.41 C ATOM 1690 C THR A 100 13.329 3.784 -2.012 1.00 0.41 C ATOM 1691 O THR A 100 12.959 3.853 -3.186 1.00 0.40 O ATOM 1692 CB THR A 100 15.589 4.586 -1.361 1.00 0.41 C ATOM 1693 OG1 THR A 100 15.757 5.371 -2.553 1.00 0.38 O ATOM 1694 CG2 THR A 100 16.949 4.198 -0.799 1.00 0.47 C ATOM 0 H THR A 100 15.767 3.144 -3.486 1.00 0.42 H new ATOM 0 HA THR A 100 14.726 2.685 -0.803 1.00 0.41 H new ATOM 0 HB THR A 100 15.066 5.175 -0.608 1.00 0.41 H new ATOM 0 HG1 THR A 100 16.409 4.937 -3.141 1.00 0.38 H new ATOM 0 HG21 THR A 100 17.525 5.099 -0.586 1.00 0.47 H new ATOM 0 HG22 THR A 100 16.814 3.628 0.120 1.00 0.47 H new ATOM 0 HG23 THR A 100 17.484 3.589 -1.528 1.00 0.47 H new ATOM 1702 N MET A 101 12.544 4.089 -0.985 1.00 0.43 N ATOM 1703 CA MET A 101 11.200 4.627 -1.179 1.00 0.45 C ATOM 1704 C MET A 101 11.247 5.906 -2.007 1.00 0.39 C ATOM 1705 O MET A 101 10.324 6.193 -2.768 1.00 0.39 O ATOM 1706 CB MET A 101 10.518 4.900 0.165 1.00 0.54 C ATOM 1707 CG MET A 101 9.742 3.717 0.742 1.00 0.71 C ATOM 1708 SD MET A 101 10.767 2.285 1.144 1.00 1.18 S ATOM 1709 CE MET A 101 10.780 1.400 -0.413 1.00 0.89 C ATOM 0 H MET A 101 12.814 3.973 -0.008 1.00 0.43 H new ATOM 0 HA MET A 101 10.617 3.879 -1.717 1.00 0.45 H new ATOM 0 HB2 MET A 101 11.276 5.205 0.886 1.00 0.54 H new ATOM 0 HB3 MET A 101 9.835 5.741 0.046 1.00 0.54 H new ATOM 0 HG2 MET A 101 9.222 4.042 1.643 1.00 0.71 H new ATOM 0 HG3 MET A 101 8.978 3.414 0.026 1.00 0.71 H new ATOM 0 HE1 MET A 101 10.539 0.351 -0.238 1.00 0.89 H new ATOM 0 HE2 MET A 101 10.040 1.835 -1.085 1.00 0.89 H new ATOM 0 HE3 MET A 101 11.769 1.474 -0.866 1.00 0.89 H new ATOM 1719 N ALA A 102 12.332 6.662 -1.860 1.00 0.38 N ATOM 1720 CA ALA A 102 12.531 7.885 -2.632 1.00 0.37 C ATOM 1721 C ALA A 102 12.476 7.598 -4.128 1.00 0.35 C ATOM 1722 O ALA A 102 11.721 8.232 -4.868 1.00 0.39 O ATOM 1723 CB ALA A 102 13.862 8.524 -2.265 1.00 0.37 C ATOM 0 H ALA A 102 13.089 6.448 -1.211 1.00 0.38 H new ATOM 0 HA ALA A 102 11.726 8.579 -2.390 1.00 0.37 H new ATOM 0 HB1 ALA A 102 14.001 9.435 -2.846 1.00 0.37 H new ATOM 0 HB2 ALA A 102 13.868 8.767 -1.202 1.00 0.37 H new ATOM 0 HB3 ALA A 102 14.672 7.828 -2.483 1.00 0.37 H new ATOM 1729 N GLU A 103 13.270 6.624 -4.559 1.00 0.34 N ATOM 1730 CA GLU A 103 13.296 6.217 -5.961 1.00 0.36 C ATOM 1731 C GLU A 103 11.952 5.636 -6.377 1.00 0.37 C ATOM 1732 O GLU A 103 11.408 5.981 -7.427 1.00 0.39 O ATOM 1733 CB GLU A 103 14.383 5.173 -6.177 1.00 0.39 C ATOM 1734 CG GLU A 103 15.746 5.625 -5.704 1.00 0.40 C ATOM 1735 CD GLU A 103 16.727 4.482 -5.617 1.00 0.43 C ATOM 1736 OE1 GLU A 103 17.295 4.098 -6.660 1.00 0.53 O ATOM 1737 OE2 GLU A 103 16.915 3.950 -4.503 1.00 0.46 O ATOM 0 H GLU A 103 13.906 6.100 -3.957 1.00 0.34 H new ATOM 0 HA GLU A 103 13.505 7.097 -6.569 1.00 0.36 H new ATOM 0 HB2 GLU A 103 14.108 4.258 -5.652 1.00 0.39 H new ATOM 0 HB3 GLU A 103 14.437 4.928 -7.238 1.00 0.39 H new ATOM 0 HG2 GLU A 103 16.133 6.382 -6.386 1.00 0.40 H new ATOM 0 HG3 GLU A 103 15.651 6.096 -4.725 1.00 0.40 H new ATOM 1744 N ILE A 104 11.427 4.757 -5.533 1.00 0.36 N ATOM 1745 CA ILE A 104 10.162 4.077 -5.797 1.00 0.37 C ATOM 1746 C ILE A 104 9.024 5.078 -6.012 1.00 0.36 C ATOM 1747 O ILE A 104 8.208 4.917 -6.917 1.00 0.38 O ATOM 1748 CB ILE A 104 9.792 3.116 -4.641 1.00 0.38 C ATOM 1749 CG1 ILE A 104 10.864 2.034 -4.472 1.00 0.41 C ATOM 1750 CG2 ILE A 104 8.433 2.480 -4.880 1.00 0.39 C ATOM 1751 CD1 ILE A 104 11.079 1.176 -5.703 1.00 0.45 C ATOM 0 H ILE A 104 11.863 4.495 -4.649 1.00 0.36 H new ATOM 0 HA ILE A 104 10.297 3.498 -6.711 1.00 0.37 H new ATOM 0 HB ILE A 104 9.741 3.700 -3.722 1.00 0.38 H new ATOM 0 HG12 ILE A 104 11.807 2.511 -4.206 1.00 0.41 H new ATOM 0 HG13 ILE A 104 10.586 1.390 -3.638 1.00 0.41 H new ATOM 0 HG21 ILE A 104 8.195 1.809 -4.055 1.00 0.39 H new ATOM 0 HG22 ILE A 104 7.673 3.259 -4.945 1.00 0.39 H new ATOM 0 HG23 ILE A 104 8.454 1.915 -5.812 1.00 0.39 H new ATOM 0 HD11 ILE A 104 11.853 0.436 -5.500 1.00 0.45 H new ATOM 0 HD12 ILE A 104 10.149 0.668 -5.959 1.00 0.45 H new ATOM 0 HD13 ILE A 104 11.389 1.806 -6.536 1.00 0.45 H new ATOM 1763 N TYR A 105 8.983 6.115 -5.187 1.00 0.36 N ATOM 1764 CA TYR A 105 7.943 7.133 -5.288 1.00 0.39 C ATOM 1765 C TYR A 105 8.021 7.865 -6.619 1.00 0.41 C ATOM 1766 O TYR A 105 7.020 8.014 -7.317 1.00 0.44 O ATOM 1767 CB TYR A 105 8.063 8.128 -4.133 1.00 0.42 C ATOM 1768 CG TYR A 105 7.021 9.228 -4.151 1.00 0.48 C ATOM 1769 CD1 TYR A 105 5.680 8.931 -4.347 1.00 1.12 C ATOM 1770 CD2 TYR A 105 7.377 10.559 -3.969 1.00 1.45 C ATOM 1771 CE1 TYR A 105 4.724 9.923 -4.361 1.00 1.11 C ATOM 1772 CE2 TYR A 105 6.421 11.560 -3.979 1.00 1.56 C ATOM 1773 CZ TYR A 105 5.096 11.234 -4.176 1.00 0.71 C ATOM 1774 OH TYR A 105 4.135 12.220 -4.190 1.00 0.86 O ATOM 0 H TYR A 105 9.658 6.275 -4.439 1.00 0.36 H new ATOM 0 HA TYR A 105 6.975 6.635 -5.230 1.00 0.39 H new ATOM 0 HB2 TYR A 105 7.986 7.585 -3.191 1.00 0.42 H new ATOM 0 HB3 TYR A 105 9.054 8.581 -4.160 1.00 0.42 H new ATOM 0 HD1 TYR A 105 5.380 7.904 -4.491 1.00 1.12 H new ATOM 0 HD2 TYR A 105 8.415 10.816 -3.818 1.00 1.45 H new ATOM 0 HE1 TYR A 105 3.685 9.672 -4.517 1.00 1.11 H new ATOM 0 HE2 TYR A 105 6.711 12.590 -3.833 1.00 1.56 H new ATOM 0 HH TYR A 105 3.286 11.854 -3.867 1.00 0.86 H new ATOM 1784 N ARG A 106 9.219 8.299 -6.977 1.00 0.44 N ATOM 1785 CA ARG A 106 9.421 9.058 -8.202 1.00 0.50 C ATOM 1786 C ARG A 106 9.132 8.212 -9.438 1.00 0.51 C ATOM 1787 O ARG A 106 8.793 8.741 -10.499 1.00 0.58 O ATOM 1788 CB ARG A 106 10.850 9.595 -8.264 1.00 0.56 C ATOM 1789 CG ARG A 106 11.176 10.585 -7.158 1.00 1.25 C ATOM 1790 CD ARG A 106 12.609 11.077 -7.259 1.00 1.75 C ATOM 1791 NE ARG A 106 12.869 11.765 -8.523 1.00 2.50 N ATOM 1792 CZ ARG A 106 14.065 11.829 -9.104 1.00 3.33 C ATOM 1793 NH1 ARG A 106 15.117 11.247 -8.538 1.00 3.62 N ATOM 1794 NH2 ARG A 106 14.205 12.474 -10.255 1.00 4.23 N ATOM 0 H ARG A 106 10.068 8.138 -6.436 1.00 0.44 H new ATOM 0 HA ARG A 106 8.721 9.894 -8.192 1.00 0.50 H new ATOM 0 HB2 ARG A 106 11.546 8.758 -8.208 1.00 0.56 H new ATOM 0 HB3 ARG A 106 11.007 10.077 -9.229 1.00 0.56 H new ATOM 0 HG2 ARG A 106 10.494 11.433 -7.214 1.00 1.25 H new ATOM 0 HG3 ARG A 106 11.019 10.114 -6.188 1.00 1.25 H new ATOM 0 HD2 ARG A 106 12.819 11.753 -6.430 1.00 1.75 H new ATOM 0 HD3 ARG A 106 13.290 10.231 -7.161 1.00 1.75 H new ATOM 0 HE ARG A 106 12.086 12.224 -8.988 1.00 2.50 H new ATOM 0 HH11 ARG A 106 15.010 10.748 -7.655 1.00 3.62 H new ATOM 0 HH12 ARG A 106 16.031 11.299 -8.987 1.00 3.62 H new ATOM 0 HH21 ARG A 106 13.398 12.919 -10.692 1.00 4.23 H new ATOM 0 HH22 ARG A 106 15.120 12.525 -10.703 1.00 4.23 H new ATOM 1808 N ASP A 107 9.265 6.901 -9.301 1.00 0.50 N ATOM 1809 CA ASP A 107 9.099 5.999 -10.432 1.00 0.55 C ATOM 1810 C ASP A 107 7.665 5.489 -10.539 1.00 0.51 C ATOM 1811 O ASP A 107 7.090 5.440 -11.627 1.00 0.62 O ATOM 1812 CB ASP A 107 10.048 4.810 -10.290 1.00 0.61 C ATOM 1813 CG ASP A 107 10.302 4.104 -11.607 1.00 0.96 C ATOM 1814 OD1 ASP A 107 9.512 3.211 -11.977 1.00 1.77 O ATOM 1815 OD2 ASP A 107 11.298 4.442 -12.282 1.00 1.49 O ATOM 0 H ASP A 107 9.487 6.438 -8.420 1.00 0.50 H new ATOM 0 HA ASP A 107 9.331 6.558 -11.339 1.00 0.55 H new ATOM 0 HB2 ASP A 107 10.997 5.155 -9.878 1.00 0.61 H new ATOM 0 HB3 ASP A 107 9.630 4.100 -9.576 1.00 0.61 H new ATOM 1820 N TYR A 108 7.086 5.111 -9.407 1.00 0.41 N ATOM 1821 CA TYR A 108 5.791 4.433 -9.404 1.00 0.39 C ATOM 1822 C TYR A 108 4.688 5.274 -8.764 1.00 0.38 C ATOM 1823 O TYR A 108 3.682 4.730 -8.307 1.00 0.40 O ATOM 1824 CB TYR A 108 5.899 3.097 -8.665 1.00 0.40 C ATOM 1825 CG TYR A 108 7.028 2.221 -9.153 1.00 0.45 C ATOM 1826 CD1 TYR A 108 6.854 1.347 -10.217 1.00 1.32 C ATOM 1827 CD2 TYR A 108 8.275 2.276 -8.548 1.00 1.20 C ATOM 1828 CE1 TYR A 108 7.893 0.552 -10.661 1.00 1.36 C ATOM 1829 CE2 TYR A 108 9.317 1.488 -8.984 1.00 1.25 C ATOM 1830 CZ TYR A 108 9.123 0.628 -10.041 1.00 0.63 C ATOM 1831 OH TYR A 108 10.161 -0.161 -10.481 1.00 0.75 O ATOM 0 H TYR A 108 7.488 5.260 -8.482 1.00 0.41 H new ATOM 0 HA TYR A 108 5.519 4.269 -10.447 1.00 0.39 H new ATOM 0 HB2 TYR A 108 6.036 3.291 -7.601 1.00 0.40 H new ATOM 0 HB3 TYR A 108 4.959 2.556 -8.772 1.00 0.40 H new ATOM 0 HD1 TYR A 108 5.892 1.287 -10.705 1.00 1.32 H new ATOM 0 HD2 TYR A 108 8.432 2.950 -7.719 1.00 1.20 H new ATOM 0 HE1 TYR A 108 7.743 -0.125 -11.489 1.00 1.36 H new ATOM 0 HE2 TYR A 108 10.281 1.545 -8.499 1.00 1.25 H new ATOM 0 HH TYR A 108 10.958 0.014 -9.938 1.00 0.75 H new ATOM 1841 N LYS A 109 4.877 6.588 -8.710 1.00 0.42 N ATOM 1842 CA LYS A 109 3.827 7.484 -8.224 1.00 0.45 C ATOM 1843 C LYS A 109 2.562 7.315 -9.060 1.00 0.43 C ATOM 1844 O LYS A 109 2.605 7.407 -10.291 1.00 0.49 O ATOM 1845 CB LYS A 109 4.289 8.943 -8.281 1.00 0.55 C ATOM 1846 CG LYS A 109 3.247 9.930 -7.771 1.00 0.98 C ATOM 1847 CD LYS A 109 3.710 11.372 -7.913 1.00 0.95 C ATOM 1848 CE LYS A 109 3.966 11.738 -9.367 1.00 1.05 C ATOM 1849 NZ LYS A 109 4.244 13.187 -9.534 1.00 1.82 N ATOM 0 H LYS A 109 5.738 7.056 -8.993 1.00 0.42 H new ATOM 0 HA LYS A 109 3.612 7.224 -7.187 1.00 0.45 H new ATOM 0 HB2 LYS A 109 5.199 9.051 -7.691 1.00 0.55 H new ATOM 0 HB3 LYS A 109 4.544 9.195 -9.310 1.00 0.55 H new ATOM 0 HG2 LYS A 109 2.317 9.792 -8.322 1.00 0.98 H new ATOM 0 HG3 LYS A 109 3.031 9.720 -6.723 1.00 0.98 H new ATOM 0 HD2 LYS A 109 2.956 12.040 -7.497 1.00 0.95 H new ATOM 0 HD3 LYS A 109 4.621 11.521 -7.334 1.00 0.95 H new ATOM 0 HE2 LYS A 109 4.811 11.161 -9.743 1.00 1.05 H new ATOM 0 HE3 LYS A 109 3.099 11.463 -9.968 1.00 1.05 H new ATOM 0 HZ1 LYS A 109 4.413 13.395 -10.539 1.00 1.82 H new ATOM 0 HZ2 LYS A 109 3.428 13.738 -9.199 1.00 1.82 H new ATOM 0 HZ3 LYS A 109 5.086 13.445 -8.981 1.00 1.82 H new ATOM 1863 N ASP A 110 1.444 7.057 -8.395 1.00 0.39 N ATOM 1864 CA ASP A 110 0.182 6.838 -9.091 1.00 0.43 C ATOM 1865 C ASP A 110 -0.494 8.173 -9.401 1.00 0.50 C ATOM 1866 O ASP A 110 0.064 9.233 -9.108 1.00 0.51 O ATOM 1867 CB ASP A 110 -0.742 5.947 -8.255 1.00 0.48 C ATOM 1868 CG ASP A 110 -1.752 5.198 -9.101 1.00 0.60 C ATOM 1869 OD1 ASP A 110 -2.860 5.727 -9.333 1.00 1.35 O ATOM 1870 OD2 ASP A 110 -1.444 4.070 -9.538 1.00 1.20 O ATOM 0 H ASP A 110 1.384 6.994 -7.379 1.00 0.39 H new ATOM 0 HA ASP A 110 0.389 6.330 -10.033 1.00 0.43 H new ATOM 0 HB2 ASP A 110 -0.141 5.231 -7.695 1.00 0.48 H new ATOM 0 HB3 ASP A 110 -1.269 6.561 -7.525 1.00 0.48 H new ATOM 1875 N GLU A 111 -1.694 8.133 -9.963 1.00 0.60 N ATOM 1876 CA GLU A 111 -2.397 9.350 -10.365 1.00 0.71 C ATOM 1877 C GLU A 111 -2.853 10.144 -9.147 1.00 0.65 C ATOM 1878 O GLU A 111 -3.066 11.354 -9.219 1.00 0.74 O ATOM 1879 CB GLU A 111 -3.607 9.001 -11.229 1.00 0.87 C ATOM 1880 CG GLU A 111 -3.251 8.233 -12.488 1.00 1.94 C ATOM 1881 CD GLU A 111 -4.476 7.774 -13.246 1.00 2.43 C ATOM 1882 OE1 GLU A 111 -4.980 8.542 -14.093 1.00 2.97 O ATOM 1883 OE2 GLU A 111 -4.945 6.645 -12.993 1.00 2.86 O ATOM 0 H GLU A 111 -2.205 7.271 -10.153 1.00 0.60 H new ATOM 0 HA GLU A 111 -1.704 9.963 -10.942 1.00 0.71 H new ATOM 0 HB2 GLU A 111 -4.307 8.410 -10.638 1.00 0.87 H new ATOM 0 HB3 GLU A 111 -4.122 9.920 -11.507 1.00 0.87 H new ATOM 0 HG2 GLU A 111 -2.641 8.863 -13.135 1.00 1.94 H new ATOM 0 HG3 GLU A 111 -2.645 7.367 -12.223 1.00 1.94 H new ATOM 1890 N ASP A 112 -2.999 9.458 -8.027 1.00 0.57 N ATOM 1891 CA ASP A 112 -3.448 10.098 -6.801 1.00 0.55 C ATOM 1892 C ASP A 112 -2.267 10.577 -5.965 1.00 0.52 C ATOM 1893 O ASP A 112 -2.434 11.350 -5.021 1.00 0.56 O ATOM 1894 CB ASP A 112 -4.335 9.150 -5.990 1.00 0.59 C ATOM 1895 CG ASP A 112 -3.768 7.750 -5.866 1.00 0.58 C ATOM 1896 OD1 ASP A 112 -2.550 7.612 -5.641 1.00 0.77 O ATOM 1897 OD2 ASP A 112 -4.552 6.776 -5.995 1.00 0.63 O ATOM 0 H ASP A 112 -2.814 8.459 -7.940 1.00 0.57 H new ATOM 0 HA ASP A 112 -4.039 10.971 -7.077 1.00 0.55 H new ATOM 0 HB2 ASP A 112 -4.480 9.565 -4.992 1.00 0.59 H new ATOM 0 HB3 ASP A 112 -5.318 9.095 -6.458 1.00 0.59 H new ATOM 1902 N GLY A 113 -1.070 10.140 -6.331 1.00 0.47 N ATOM 1903 CA GLY A 113 0.125 10.596 -5.653 1.00 0.45 C ATOM 1904 C GLY A 113 0.677 9.585 -4.670 1.00 0.36 C ATOM 1905 O GLY A 113 1.747 9.794 -4.097 1.00 0.37 O ATOM 0 H GLY A 113 -0.906 9.476 -7.088 1.00 0.47 H new ATOM 0 HA2 GLY A 113 0.890 10.827 -6.395 1.00 0.45 H new ATOM 0 HA3 GLY A 113 -0.097 11.523 -5.124 1.00 0.45 H new ATOM 1909 N PHE A 114 -0.039 8.489 -4.470 1.00 0.39 N ATOM 1910 CA PHE A 114 0.400 7.458 -3.538 1.00 0.34 C ATOM 1911 C PHE A 114 1.189 6.372 -4.258 1.00 0.34 C ATOM 1912 O PHE A 114 1.133 6.253 -5.486 1.00 0.40 O ATOM 1913 CB PHE A 114 -0.800 6.830 -2.821 1.00 0.37 C ATOM 1914 CG PHE A 114 -1.431 7.722 -1.791 1.00 0.41 C ATOM 1915 CD1 PHE A 114 -2.387 8.658 -2.150 1.00 1.30 C ATOM 1916 CD2 PHE A 114 -1.070 7.620 -0.457 1.00 1.03 C ATOM 1917 CE1 PHE A 114 -2.968 9.475 -1.199 1.00 1.35 C ATOM 1918 CE2 PHE A 114 -1.648 8.434 0.498 1.00 1.03 C ATOM 1919 CZ PHE A 114 -2.598 9.363 0.126 1.00 0.54 C ATOM 0 H PHE A 114 -0.923 8.290 -4.938 1.00 0.39 H new ATOM 0 HA PHE A 114 1.048 7.933 -2.801 1.00 0.34 H new ATOM 0 HB2 PHE A 114 -1.552 6.559 -3.562 1.00 0.37 H new ATOM 0 HB3 PHE A 114 -0.480 5.906 -2.340 1.00 0.37 H new ATOM 0 HD1 PHE A 114 -2.682 8.750 -3.185 1.00 1.30 H new ATOM 0 HD2 PHE A 114 -0.327 6.895 -0.160 1.00 1.03 H new ATOM 0 HE1 PHE A 114 -3.712 10.201 -1.492 1.00 1.35 H new ATOM 0 HE2 PHE A 114 -1.357 8.343 1.534 1.00 1.03 H new ATOM 0 HZ PHE A 114 -3.051 10.001 0.870 1.00 0.54 H new ATOM 1929 N VAL A 115 1.940 5.597 -3.488 1.00 0.29 N ATOM 1930 CA VAL A 115 2.655 4.451 -4.028 1.00 0.30 C ATOM 1931 C VAL A 115 1.958 3.169 -3.601 1.00 0.27 C ATOM 1932 O VAL A 115 1.912 2.846 -2.417 1.00 0.31 O ATOM 1933 CB VAL A 115 4.119 4.406 -3.550 1.00 0.37 C ATOM 1934 CG1 VAL A 115 4.858 3.241 -4.189 1.00 0.89 C ATOM 1935 CG2 VAL A 115 4.823 5.715 -3.851 1.00 1.06 C ATOM 0 H VAL A 115 2.069 5.742 -2.487 1.00 0.29 H new ATOM 0 HA VAL A 115 2.655 4.546 -5.114 1.00 0.30 H new ATOM 0 HB VAL A 115 4.119 4.259 -2.470 1.00 0.37 H new ATOM 0 HG11 VAL A 115 5.890 3.228 -3.838 1.00 0.89 H new ATOM 0 HG12 VAL A 115 4.370 2.306 -3.915 1.00 0.89 H new ATOM 0 HG13 VAL A 115 4.845 3.353 -5.273 1.00 0.89 H new ATOM 0 HG21 VAL A 115 5.855 5.661 -3.505 1.00 1.06 H new ATOM 0 HG22 VAL A 115 4.810 5.897 -4.926 1.00 1.06 H new ATOM 0 HG23 VAL A 115 4.311 6.530 -3.339 1.00 1.06 H new ATOM 1945 N TYR A 116 1.409 2.447 -4.561 1.00 0.33 N ATOM 1946 CA TYR A 116 0.653 1.244 -4.257 1.00 0.34 C ATOM 1947 C TYR A 116 1.518 0.004 -4.398 1.00 0.38 C ATOM 1948 O TYR A 116 2.184 -0.202 -5.415 1.00 0.49 O ATOM 1949 CB TYR A 116 -0.588 1.154 -5.143 1.00 0.39 C ATOM 1950 CG TYR A 116 -1.609 2.220 -4.819 1.00 0.39 C ATOM 1951 CD1 TYR A 116 -1.470 3.512 -5.309 1.00 1.28 C ATOM 1952 CD2 TYR A 116 -2.698 1.943 -4.000 1.00 1.19 C ATOM 1953 CE1 TYR A 116 -2.388 4.492 -4.999 1.00 1.31 C ATOM 1954 CE2 TYR A 116 -3.619 2.922 -3.684 1.00 1.19 C ATOM 1955 CZ TYR A 116 -3.458 4.194 -4.186 1.00 0.48 C ATOM 1956 OH TYR A 116 -4.365 5.177 -3.868 1.00 0.54 O ATOM 0 H TYR A 116 1.472 2.671 -5.554 1.00 0.33 H new ATOM 0 HA TYR A 116 0.326 1.300 -3.219 1.00 0.34 H new ATOM 0 HB2 TYR A 116 -0.292 1.245 -6.188 1.00 0.39 H new ATOM 0 HB3 TYR A 116 -1.044 0.171 -5.025 1.00 0.39 H new ATOM 0 HD1 TYR A 116 -0.629 3.753 -5.943 1.00 1.28 H new ATOM 0 HD2 TYR A 116 -2.826 0.946 -3.605 1.00 1.19 H new ATOM 0 HE1 TYR A 116 -2.268 5.491 -5.393 1.00 1.31 H new ATOM 0 HE2 TYR A 116 -4.460 2.692 -3.047 1.00 1.19 H new ATOM 0 HH TYR A 116 -4.583 5.693 -4.672 1.00 0.54 H new ATOM 1966 N MET A 117 1.512 -0.808 -3.357 1.00 0.35 N ATOM 1967 CA MET A 117 2.328 -2.003 -3.304 1.00 0.39 C ATOM 1968 C MET A 117 1.465 -3.216 -2.997 1.00 0.34 C ATOM 1969 O MET A 117 0.454 -3.110 -2.304 1.00 0.45 O ATOM 1970 CB MET A 117 3.416 -1.852 -2.238 1.00 0.49 C ATOM 1971 CG MET A 117 4.392 -0.722 -2.520 1.00 0.65 C ATOM 1972 SD MET A 117 5.588 -0.494 -1.192 1.00 0.70 S ATOM 1973 CE MET A 117 6.624 0.791 -1.882 1.00 1.19 C ATOM 0 H MET A 117 0.941 -0.656 -2.526 1.00 0.35 H new ATOM 0 HA MET A 117 2.802 -2.145 -4.275 1.00 0.39 H new ATOM 0 HB2 MET A 117 2.944 -1.680 -1.271 1.00 0.49 H new ATOM 0 HB3 MET A 117 3.969 -2.788 -2.161 1.00 0.49 H new ATOM 0 HG2 MET A 117 4.922 -0.928 -3.450 1.00 0.65 H new ATOM 0 HG3 MET A 117 3.837 0.204 -2.668 1.00 0.65 H new ATOM 0 HE1 MET A 117 7.610 0.751 -1.419 1.00 1.19 H new ATOM 0 HE2 MET A 117 6.722 0.641 -2.957 1.00 1.19 H new ATOM 0 HE3 MET A 117 6.172 1.764 -1.691 1.00 1.19 H new ATOM 1983 N THR A 118 1.867 -4.355 -3.517 1.00 0.34 N ATOM 1984 CA THR A 118 1.133 -5.591 -3.330 1.00 0.33 C ATOM 1985 C THR A 118 2.080 -6.672 -2.819 1.00 0.33 C ATOM 1986 O THR A 118 3.175 -6.835 -3.352 1.00 0.37 O ATOM 1987 CB THR A 118 0.507 -6.038 -4.665 1.00 0.43 C ATOM 1988 OG1 THR A 118 -0.179 -4.932 -5.271 1.00 0.92 O ATOM 1989 CG2 THR A 118 -0.464 -7.188 -4.463 1.00 0.85 C ATOM 0 H THR A 118 2.711 -4.452 -4.081 1.00 0.34 H new ATOM 0 HA THR A 118 0.338 -5.430 -2.602 1.00 0.33 H new ATOM 0 HB THR A 118 1.310 -6.381 -5.317 1.00 0.43 H new ATOM 0 HG1 THR A 118 -0.742 -5.258 -6.004 1.00 0.92 H new ATOM 0 HG21 THR A 118 -0.888 -7.479 -5.424 1.00 0.85 H new ATOM 0 HG22 THR A 118 0.063 -8.037 -4.027 1.00 0.85 H new ATOM 0 HG23 THR A 118 -1.265 -6.875 -3.793 1.00 0.85 H new ATOM 1997 N TYR A 119 1.675 -7.409 -1.798 1.00 0.35 N ATOM 1998 CA TYR A 119 2.553 -8.418 -1.216 1.00 0.41 C ATOM 1999 C TYR A 119 1.932 -9.808 -1.298 1.00 0.48 C ATOM 2000 O TYR A 119 0.718 -9.972 -1.147 1.00 0.49 O ATOM 2001 CB TYR A 119 2.895 -8.067 0.242 1.00 0.42 C ATOM 2002 CG TYR A 119 1.746 -8.230 1.214 1.00 0.39 C ATOM 2003 CD1 TYR A 119 0.689 -7.333 1.228 1.00 1.09 C ATOM 2004 CD2 TYR A 119 1.716 -9.293 2.108 1.00 1.18 C ATOM 2005 CE1 TYR A 119 -0.366 -7.487 2.104 1.00 1.15 C ATOM 2006 CE2 TYR A 119 0.660 -9.458 2.985 1.00 1.20 C ATOM 2007 CZ TYR A 119 -0.379 -8.550 2.977 1.00 0.56 C ATOM 2008 OH TYR A 119 -1.438 -8.710 3.841 1.00 0.70 O ATOM 0 H TYR A 119 0.758 -7.332 -1.358 1.00 0.35 H new ATOM 0 HA TYR A 119 3.476 -8.428 -1.796 1.00 0.41 H new ATOM 0 HB2 TYR A 119 3.723 -8.696 0.569 1.00 0.42 H new ATOM 0 HB3 TYR A 119 3.244 -7.035 0.282 1.00 0.42 H new ATOM 0 HD1 TYR A 119 0.691 -6.499 0.541 1.00 1.09 H new ATOM 0 HD2 TYR A 119 2.531 -10.002 2.118 1.00 1.18 H new ATOM 0 HE1 TYR A 119 -1.179 -6.776 2.104 1.00 1.15 H new ATOM 0 HE2 TYR A 119 0.648 -10.292 3.671 1.00 1.20 H new ATOM 0 HH TYR A 119 -1.318 -9.535 4.356 1.00 0.70 H new ATOM 2018 N ALA A 120 2.776 -10.797 -1.557 1.00 0.57 N ATOM 2019 CA ALA A 120 2.364 -12.196 -1.587 1.00 0.71 C ATOM 2020 C ALA A 120 3.549 -13.079 -1.241 1.00 0.84 C ATOM 2021 O ALA A 120 4.684 -12.696 -1.507 1.00 0.86 O ATOM 2022 CB ALA A 120 1.816 -12.574 -2.955 1.00 0.79 C ATOM 0 H ALA A 120 3.767 -10.653 -1.753 1.00 0.57 H new ATOM 0 HA ALA A 120 1.571 -12.341 -0.853 1.00 0.71 H new ATOM 0 HB1 ALA A 120 1.516 -13.622 -2.950 1.00 0.79 H new ATOM 0 HB2 ALA A 120 0.952 -11.951 -3.186 1.00 0.79 H new ATOM 0 HB3 ALA A 120 2.586 -12.421 -3.711 1.00 0.79 H new ATOM 2028 N SER A 121 3.303 -14.242 -0.655 1.00 1.00 N ATOM 2029 CA SER A 121 4.392 -15.118 -0.249 1.00 1.16 C ATOM 2030 C SER A 121 5.213 -15.521 -1.468 1.00 0.69 C ATOM 2031 O SER A 121 6.419 -15.269 -1.534 1.00 1.07 O ATOM 2032 CB SER A 121 3.851 -16.359 0.470 1.00 1.88 C ATOM 2033 OG SER A 121 4.906 -17.149 1.002 1.00 2.69 O ATOM 0 H SER A 121 2.369 -14.598 -0.452 1.00 1.00 H new ATOM 0 HA SER A 121 5.034 -14.579 0.447 1.00 1.16 H new ATOM 0 HB2 SER A 121 3.182 -16.053 1.274 1.00 1.88 H new ATOM 0 HB3 SER A 121 3.261 -16.957 -0.225 1.00 1.88 H new ATOM 0 HG SER A 121 5.726 -16.614 1.045 1.00 2.69 H new ATOM 2039 N GLN A 122 4.550 -16.117 -2.442 1.00 1.13 N ATOM 2040 CA GLN A 122 5.207 -16.532 -3.666 1.00 1.61 C ATOM 2041 C GLN A 122 4.314 -16.227 -4.857 1.00 2.23 C ATOM 2042 O GLN A 122 3.137 -16.585 -4.860 1.00 2.63 O ATOM 2043 CB GLN A 122 5.519 -18.031 -3.611 1.00 2.34 C ATOM 2044 CG GLN A 122 6.508 -18.411 -2.517 1.00 2.78 C ATOM 2045 CD GLN A 122 6.620 -19.910 -2.324 1.00 3.64 C ATOM 2046 OE1 GLN A 122 7.429 -20.574 -2.973 1.00 4.18 O ATOM 2047 NE2 GLN A 122 5.822 -20.453 -1.418 1.00 4.22 N ATOM 0 H GLN A 122 3.552 -16.325 -2.408 1.00 1.13 H new ATOM 0 HA GLN A 122 6.142 -15.983 -3.774 1.00 1.61 H new ATOM 0 HB2 GLN A 122 4.591 -18.581 -3.456 1.00 2.34 H new ATOM 0 HB3 GLN A 122 5.919 -18.345 -4.575 1.00 2.34 H new ATOM 0 HG2 GLN A 122 7.490 -18.006 -2.764 1.00 2.78 H new ATOM 0 HG3 GLN A 122 6.200 -17.950 -1.578 1.00 2.78 H new ATOM 0 HE21 GLN A 122 5.165 -19.868 -0.901 1.00 4.22 H new ATOM 0 HE22 GLN A 122 5.864 -21.456 -1.237 1.00 4.22 H new ATOM 2056 N GLU A 123 4.873 -15.578 -5.868 1.00 2.65 N ATOM 2057 CA GLU A 123 4.120 -15.269 -7.075 1.00 3.47 C ATOM 2058 C GLU A 123 3.887 -16.548 -7.868 1.00 4.01 C ATOM 2059 O GLU A 123 4.828 -17.294 -8.140 1.00 4.36 O ATOM 2060 CB GLU A 123 4.856 -14.225 -7.925 1.00 3.93 C ATOM 2061 CG GLU A 123 4.171 -13.908 -9.251 1.00 4.58 C ATOM 2062 CD GLU A 123 2.758 -13.375 -9.091 1.00 5.36 C ATOM 2063 OE1 GLU A 123 1.862 -14.158 -8.714 1.00 6.07 O ATOM 2064 OE2 GLU A 123 2.528 -12.181 -9.378 1.00 5.57 O ATOM 0 H GLU A 123 5.841 -15.256 -5.877 1.00 2.65 H new ATOM 0 HA GLU A 123 3.156 -14.844 -6.794 1.00 3.47 H new ATOM 0 HB2 GLU A 123 4.952 -13.305 -7.349 1.00 3.93 H new ATOM 0 HB3 GLU A 123 5.866 -14.582 -8.126 1.00 3.93 H new ATOM 0 HG2 GLU A 123 4.768 -13.175 -9.793 1.00 4.58 H new ATOM 0 HG3 GLU A 123 4.143 -14.811 -9.861 1.00 4.58 H new ATOM 2071 N THR A 124 2.624 -16.806 -8.193 1.00 4.46 N ATOM 2072 CA THR A 124 2.219 -18.028 -8.881 1.00 5.15 C ATOM 2073 C THR A 124 2.306 -19.232 -7.931 1.00 5.52 C ATOM 2074 O THR A 124 1.962 -20.357 -8.299 1.00 6.17 O ATOM 2075 CB THR A 124 3.071 -18.269 -10.151 1.00 5.88 C ATOM 2076 OG1 THR A 124 3.201 -17.042 -10.882 1.00 5.92 O ATOM 2077 CG2 THR A 124 2.439 -19.315 -11.058 1.00 6.51 C ATOM 0 H THR A 124 1.851 -16.173 -7.987 1.00 4.46 H new ATOM 0 HA THR A 124 1.183 -17.908 -9.197 1.00 5.15 H new ATOM 0 HB THR A 124 4.048 -18.631 -9.832 1.00 5.88 H new ATOM 0 HG1 THR A 124 3.742 -17.195 -11.685 1.00 5.92 H new ATOM 0 HG21 THR A 124 3.064 -19.458 -11.939 1.00 6.51 H new ATOM 0 HG22 THR A 124 2.350 -20.258 -10.519 1.00 6.51 H new ATOM 0 HG23 THR A 124 1.449 -18.979 -11.366 1.00 6.51 H new ATOM 2085 N PHE A 125 2.735 -18.958 -6.692 1.00 5.46 N ATOM 2086 CA PHE A 125 2.861 -19.963 -5.629 1.00 6.16 C ATOM 2087 C PHE A 125 3.947 -20.990 -5.937 1.00 6.88 C ATOM 2088 O PHE A 125 4.972 -21.048 -5.252 1.00 7.17 O ATOM 2089 CB PHE A 125 1.521 -20.659 -5.377 1.00 6.69 C ATOM 2090 CG PHE A 125 0.428 -19.705 -4.998 1.00 7.02 C ATOM 2091 CD1 PHE A 125 0.313 -19.246 -3.697 1.00 7.48 C ATOM 2092 CD2 PHE A 125 -0.474 -19.261 -5.948 1.00 7.20 C ATOM 2093 CE1 PHE A 125 -0.687 -18.360 -3.350 1.00 8.12 C ATOM 2094 CE2 PHE A 125 -1.476 -18.375 -5.607 1.00 7.81 C ATOM 2095 CZ PHE A 125 -1.581 -17.923 -4.305 1.00 8.27 C ATOM 0 H PHE A 125 3.008 -18.021 -6.396 1.00 5.46 H new ATOM 0 HA PHE A 125 3.158 -19.435 -4.723 1.00 6.16 H new ATOM 0 HB2 PHE A 125 1.226 -21.203 -6.274 1.00 6.69 H new ATOM 0 HB3 PHE A 125 1.644 -21.396 -4.583 1.00 6.69 H new ATOM 0 HD1 PHE A 125 1.012 -19.584 -2.947 1.00 7.48 H new ATOM 0 HD2 PHE A 125 -0.393 -19.611 -6.967 1.00 7.20 H new ATOM 0 HE1 PHE A 125 -0.769 -18.009 -2.332 1.00 8.12 H new ATOM 0 HE2 PHE A 125 -2.176 -18.036 -6.356 1.00 7.81 H new ATOM 0 HZ PHE A 125 -2.363 -17.228 -4.036 1.00 8.27 H new ATOM 2105 N GLY A 126 3.723 -21.790 -6.963 1.00 7.47 N ATOM 2106 CA GLY A 126 4.668 -22.821 -7.329 1.00 8.43 C ATOM 2107 C GLY A 126 4.316 -24.152 -6.706 1.00 9.49 C ATOM 2108 O GLY A 126 3.756 -24.161 -5.590 1.00 10.03 O ATOM 2109 OXT GLY A 126 4.582 -25.196 -7.333 1.00 9.97 O ATOM 0 H GLY A 126 2.894 -21.743 -7.556 1.00 7.47 H new ATOM 0 HA2 GLY A 126 4.693 -22.923 -8.414 1.00 8.43 H new ATOM 0 HA3 GLY A 126 5.669 -22.525 -7.014 1.00 8.43 H new TER 2113 GLY A 126