USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1127 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 77 GLN :FLIP amide:sc= 0.0993 F(o=-3.8!,f=-1.7) USER MOD Set 1.2: A 115 SER OG : rot 122:sc= -1.81! USER MOD Set 2.1: A 74 ASN : amide:sc= -1.02 X(o=-1.1,f=-1.4) USER MOD Set 2.2: A 76 ASN :FLIP amide:sc= -0.103 X(o=-1.4,f=-1.1) USER MOD Set 3.1: A 27 HIS : no HD1:sc= -6.62! C(o=-6.8!,f=-9.2!) USER MOD Set 3.2: A 30 LYS NZ :NH3+ 152:sc= -0.21 (180deg=-1.27!) USER MOD Single : A 0 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.346! USER MOD Single : A 5 LYS NZ :NH3+ 171:sc= -0.232 (180deg=-0.267) USER MOD Single : A 6 THR OG1 : rot 150:sc= -0.909 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.55) USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -145:sc= 0.648 (180deg=0.119) USER MOD Single : A 43 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.2!) USER MOD Single : A 49 LYS NZ :NH3+ 137:sc= -5.2! (180deg=-8.55!) USER MOD Single : A 50 THR OG1 : rot -164:sc= 0.0735 USER MOD Single : A 51 LYS NZ :NH3+ -128:sc= -0.169 (180deg=-1.38) USER MOD Single : A 57 HIS : no HD1:sc= -2.5 X(o=-2.5,f=-2.4!) USER MOD Single : A 59 ASN : amide:sc= -0.437 X(o=-0.44,f=0.0017) USER MOD Single : A 60 MET CE :methyl 146:sc= -7.79! (180deg=-9.4!) USER MOD Single : A 61 SER OG : rot 180:sc= -0.185 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 84 ASN : amide:sc= -2.09 K(o=-2.1,f=-4.6!) USER MOD Single : A 86 HIS : +bothHN:sc= -10.3! C(o=-10!,f=-17!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -123:sc= -2.74 (180deg=-3.26!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -15:sc= 0.424 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -8:sc= 0.013 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -111:sc= -3.97! (180deg=-7.95!) USER MOD Single : A 113 TYR OH : rot 23:sc= 1.25 USER MOD Single : A 116 GLN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 331 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 332 SER OG : rot 180:sc= 0 USER MOD Single : B 339 THR OG1 : rot 90:sc= -0.365 USER MOD Single : B 340 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.27) USER MOD Single : B 342 SER OG : rot 172:sc= 0.109 USER MOD Single : B 343 SER OG : rot 135:sc= -1.17 USER MOD Single : B 344 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -16.434 -23.738 -4.685 1.00 13.40 N ATOM 2 CA SER A 0 -17.414 -22.835 -4.109 1.00 44.32 C ATOM 3 C SER A 0 -16.720 -21.824 -3.192 1.00 24.50 C ATOM 4 O SER A 0 -16.043 -22.207 -2.240 1.00 54.43 O ATOM 5 CB SER A 0 -18.485 -23.605 -3.334 1.00 50.33 C ATOM 6 OG SER A 0 -19.503 -22.745 -2.831 1.00 54.05 O ATOM 0 H1 SER A 0 -16.914 -24.421 -5.306 1.00 13.40 H new ATOM 0 H2 SER A 0 -15.743 -23.193 -5.239 1.00 13.40 H new ATOM 0 H3 SER A 0 -15.943 -24.248 -3.924 1.00 13.40 H new ATOM 0 HA SER A 0 -17.906 -22.301 -4.922 1.00 44.32 H new ATOM 0 HB2 SER A 0 -18.934 -24.356 -3.985 1.00 50.33 H new ATOM 0 HB3 SER A 0 -18.019 -24.139 -2.505 1.00 50.33 H new ATOM 0 HG SER A 0 -20.168 -23.275 -2.344 1.00 54.05 H new ATOM 13 N MET A 1 -16.912 -20.554 -3.513 1.00 31.35 N ATOM 14 CA MET A 1 -16.313 -19.485 -2.732 1.00 61.55 C ATOM 15 C MET A 1 -17.378 -18.507 -2.233 1.00 74.03 C ATOM 16 O MET A 1 -18.456 -18.406 -2.817 1.00 34.20 O ATOM 17 CB MET A 1 -15.292 -18.735 -3.589 1.00 3.04 C ATOM 18 CG MET A 1 -14.439 -19.709 -4.404 1.00 13.42 C ATOM 19 SD MET A 1 -13.415 -20.682 -3.313 1.00 33.40 S ATOM 20 CE MET A 1 -12.530 -21.665 -4.512 1.00 2.42 C ATOM 0 H MET A 1 -17.474 -20.240 -4.304 1.00 31.35 H new ATOM 0 HA MET A 1 -15.819 -19.927 -1.867 1.00 61.55 H new ATOM 0 HB2 MET A 1 -15.809 -18.049 -4.260 1.00 3.04 H new ATOM 0 HB3 MET A 1 -14.649 -18.130 -2.949 1.00 3.04 H new ATOM 0 HG2 MET A 1 -15.082 -20.363 -4.993 1.00 13.42 H new ATOM 0 HG3 MET A 1 -13.815 -19.158 -5.107 1.00 13.42 H new ATOM 0 HE1 MET A 1 -11.841 -22.334 -3.997 1.00 2.42 H new ATOM 0 HE2 MET A 1 -13.239 -22.253 -5.095 1.00 2.42 H new ATOM 0 HE3 MET A 1 -11.969 -21.009 -5.177 1.00 2.42 H new ATOM 30 N PRO A 2 -17.031 -17.793 -1.128 1.00 72.22 N ATOM 31 CA PRO A 2 -17.945 -16.826 -0.545 1.00 32.22 C ATOM 32 C PRO A 2 -18.011 -15.553 -1.391 1.00 33.04 C ATOM 33 O PRO A 2 -18.840 -15.445 -2.293 1.00 20.31 O ATOM 34 CB PRO A 2 -17.414 -16.581 0.858 1.00 4.41 C ATOM 35 CG PRO A 2 -15.972 -17.058 0.848 1.00 61.45 C ATOM 36 CD PRO A 2 -15.764 -17.886 -0.410 1.00 64.53 C ATOM 0 HA PRO A 2 -18.973 -17.186 -0.511 1.00 32.22 H new ATOM 0 HB2 PRO A 2 -17.474 -15.524 1.119 1.00 4.41 H new ATOM 0 HB3 PRO A 2 -18.000 -17.126 1.598 1.00 4.41 H new ATOM 0 HG2 PRO A 2 -15.289 -16.209 0.863 1.00 61.45 H new ATOM 0 HG3 PRO A 2 -15.761 -17.653 1.736 1.00 61.45 H new ATOM 0 HD2 PRO A 2 -14.940 -17.497 -1.008 1.00 64.53 H new ATOM 0 HD3 PRO A 2 -15.521 -18.921 -0.168 1.00 64.53 H new ATOM 44 N SER A 3 -17.126 -14.621 -1.069 1.00 54.55 N ATOM 45 CA SER A 3 -17.073 -13.359 -1.788 1.00 22.24 C ATOM 46 C SER A 3 -15.728 -13.223 -2.507 1.00 14.34 C ATOM 47 O SER A 3 -14.888 -14.119 -2.435 1.00 50.13 O ATOM 48 CB SER A 3 -17.291 -12.177 -0.842 1.00 33.41 C ATOM 49 OG SER A 3 -16.945 -10.936 -1.451 1.00 60.34 O ATOM 0 H SER A 3 -16.440 -14.714 -0.320 1.00 54.55 H new ATOM 0 HA SER A 3 -17.875 -13.351 -2.526 1.00 22.24 H new ATOM 0 HB2 SER A 3 -18.335 -12.150 -0.531 1.00 33.41 H new ATOM 0 HB3 SER A 3 -16.693 -12.318 0.059 1.00 33.41 H new ATOM 0 HG SER A 3 -17.100 -10.206 -0.816 1.00 60.34 H new ATOM 55 N GLU A 4 -15.568 -12.095 -3.184 1.00 34.45 N ATOM 56 CA GLU A 4 -14.341 -11.831 -3.916 1.00 54.11 C ATOM 57 C GLU A 4 -13.150 -11.783 -2.956 1.00 11.33 C ATOM 58 O GLU A 4 -13.156 -11.018 -1.992 1.00 33.54 O ATOM 59 CB GLU A 4 -14.450 -10.533 -4.720 1.00 54.23 C ATOM 60 CG GLU A 4 -13.066 -9.947 -5.005 1.00 71.21 C ATOM 61 CD GLU A 4 -13.002 -9.356 -6.415 1.00 41.21 C ATOM 62 OE1 GLU A 4 -13.489 -8.238 -6.642 1.00 71.45 O ATOM 63 OE2 GLU A 4 -12.421 -10.101 -7.293 1.00 44.24 O ATOM 0 H GLU A 4 -16.267 -11.354 -3.241 1.00 34.45 H new ATOM 0 HA GLU A 4 -14.181 -12.645 -4.623 1.00 54.11 H new ATOM 0 HB2 GLU A 4 -14.968 -10.725 -5.660 1.00 54.23 H new ATOM 0 HB3 GLU A 4 -15.049 -9.809 -4.168 1.00 54.23 H new ATOM 0 HG2 GLU A 4 -12.836 -9.174 -4.272 1.00 71.21 H new ATOM 0 HG3 GLU A 4 -12.309 -10.724 -4.897 1.00 71.21 H new ATOM 71 N LYS A 5 -12.158 -12.609 -3.253 1.00 65.13 N ATOM 72 CA LYS A 5 -10.963 -12.670 -2.429 1.00 64.22 C ATOM 73 C LYS A 5 -10.166 -11.375 -2.596 1.00 42.21 C ATOM 74 O LYS A 5 -10.505 -10.537 -3.430 1.00 42.45 O ATOM 75 CB LYS A 5 -10.159 -13.932 -2.744 1.00 3.33 C ATOM 76 CG LYS A 5 -10.875 -15.183 -2.230 1.00 34.13 C ATOM 77 CD LYS A 5 -10.732 -15.311 -0.711 1.00 12.43 C ATOM 78 CE LYS A 5 -11.242 -16.669 -0.225 1.00 30.32 C ATOM 79 NZ LYS A 5 -12.713 -16.645 -0.066 1.00 30.40 N ATOM 0 H LYS A 5 -12.157 -13.242 -4.053 1.00 65.13 H new ATOM 0 HA LYS A 5 -11.231 -12.746 -1.375 1.00 64.22 H new ATOM 0 HB2 LYS A 5 -10.008 -14.012 -3.821 1.00 3.33 H new ATOM 0 HB3 LYS A 5 -9.171 -13.861 -2.288 1.00 3.33 H new ATOM 0 HG2 LYS A 5 -11.931 -15.138 -2.497 1.00 34.13 H new ATOM 0 HG3 LYS A 5 -10.461 -16.068 -2.714 1.00 34.13 H new ATOM 0 HD2 LYS A 5 -9.686 -15.189 -0.429 1.00 12.43 H new ATOM 0 HD3 LYS A 5 -11.289 -14.513 -0.221 1.00 12.43 H new ATOM 0 HE2 LYS A 5 -10.960 -17.445 -0.936 1.00 30.32 H new ATOM 0 HE3 LYS A 5 -10.772 -16.921 0.725 1.00 30.32 H new ATOM 0 HZ1 LYS A 5 -13.058 -17.609 0.115 1.00 30.40 H new ATOM 0 HZ2 LYS A 5 -12.966 -16.030 0.734 1.00 30.40 H new ATOM 0 HZ3 LYS A 5 -13.150 -16.279 -0.936 1.00 30.40 H new ATOM 92 N THR A 6 -9.123 -11.251 -1.789 1.00 33.53 N ATOM 93 CA THR A 6 -8.275 -10.073 -1.837 1.00 4.02 C ATOM 94 C THR A 6 -6.957 -10.392 -2.544 1.00 30.43 C ATOM 95 O THR A 6 -6.451 -11.509 -2.446 1.00 52.20 O ATOM 96 CB THR A 6 -8.090 -9.564 -0.407 1.00 22.24 C ATOM 97 OG1 THR A 6 -6.801 -8.957 -0.417 1.00 4.11 O ATOM 98 CG2 THR A 6 -7.957 -10.703 0.607 1.00 10.13 C ATOM 0 H THR A 6 -8.846 -11.948 -1.098 1.00 33.53 H new ATOM 0 HA THR A 6 -8.737 -9.278 -2.423 1.00 4.02 H new ATOM 0 HB THR A 6 -8.935 -8.932 -0.135 1.00 22.24 H new ATOM 0 HG1 THR A 6 -6.779 -8.225 0.234 1.00 4.11 H new ATOM 0 HG21 THR A 6 -7.828 -10.287 1.606 1.00 10.13 H new ATOM 0 HG22 THR A 6 -8.857 -11.318 0.583 1.00 10.13 H new ATOM 0 HG23 THR A 6 -7.092 -11.316 0.354 1.00 10.13 H new ATOM 106 N PHE A 7 -6.437 -9.391 -3.240 1.00 14.25 N ATOM 107 CA PHE A 7 -5.188 -9.552 -3.963 1.00 2.32 C ATOM 108 C PHE A 7 -4.159 -10.307 -3.119 1.00 75.30 C ATOM 109 O PHE A 7 -3.255 -10.944 -3.658 1.00 5.33 O ATOM 110 CB PHE A 7 -4.656 -8.148 -4.256 1.00 22.33 C ATOM 111 CG PHE A 7 -5.394 -7.427 -5.387 1.00 1.32 C ATOM 112 CD1 PHE A 7 -6.534 -6.736 -5.123 1.00 42.21 C ATOM 113 CD2 PHE A 7 -4.907 -7.478 -6.657 1.00 23.32 C ATOM 114 CE1 PHE A 7 -7.218 -6.068 -6.173 1.00 62.01 C ATOM 115 CE2 PHE A 7 -5.590 -6.810 -7.705 1.00 4.32 C ATOM 116 CZ PHE A 7 -6.731 -6.118 -7.443 1.00 45.41 C ATOM 0 H PHE A 7 -6.859 -8.466 -3.318 1.00 14.25 H new ATOM 0 HA PHE A 7 -5.359 -10.122 -4.876 1.00 2.32 H new ATOM 0 HB2 PHE A 7 -4.726 -7.547 -3.349 1.00 22.33 H new ATOM 0 HB3 PHE A 7 -3.599 -8.217 -4.512 1.00 22.33 H new ATOM 0 HD1 PHE A 7 -6.920 -6.695 -4.115 1.00 42.21 H new ATOM 0 HD2 PHE A 7 -4.001 -8.027 -6.866 1.00 23.32 H new ATOM 0 HE1 PHE A 7 -8.125 -5.520 -5.964 1.00 62.01 H new ATOM 0 HE2 PHE A 7 -5.203 -6.851 -8.713 1.00 4.32 H new ATOM 0 HZ PHE A 7 -7.250 -5.609 -8.242 1.00 45.41 H new ATOM 126 N LYS A 8 -4.330 -10.211 -1.808 1.00 44.22 N ATOM 127 CA LYS A 8 -3.428 -10.877 -0.884 1.00 32.53 C ATOM 128 C LYS A 8 -3.782 -12.364 -0.816 1.00 55.43 C ATOM 129 O LYS A 8 -2.896 -13.216 -0.804 1.00 63.02 O ATOM 130 CB LYS A 8 -3.444 -10.178 0.477 1.00 13.04 C ATOM 131 CG LYS A 8 -4.744 -10.470 1.229 1.00 74.23 C ATOM 132 CD LYS A 8 -5.018 -9.398 2.285 1.00 43.31 C ATOM 133 CE LYS A 8 -3.797 -9.186 3.182 1.00 73.45 C ATOM 134 NZ LYS A 8 -4.048 -8.094 4.149 1.00 62.03 N ATOM 0 H LYS A 8 -5.080 -9.682 -1.364 1.00 44.22 H new ATOM 0 HA LYS A 8 -2.400 -10.810 -1.239 1.00 32.53 H new ATOM 0 HB2 LYS A 8 -2.593 -10.512 1.071 1.00 13.04 H new ATOM 0 HB3 LYS A 8 -3.334 -9.102 0.339 1.00 13.04 H new ATOM 0 HG2 LYS A 8 -5.574 -10.512 0.524 1.00 74.23 H new ATOM 0 HG3 LYS A 8 -4.681 -11.448 1.706 1.00 74.23 H new ATOM 0 HD2 LYS A 8 -5.282 -8.460 1.796 1.00 43.31 H new ATOM 0 HD3 LYS A 8 -5.874 -9.692 2.893 1.00 43.31 H new ATOM 0 HE2 LYS A 8 -3.567 -10.108 3.717 1.00 73.45 H new ATOM 0 HE3 LYS A 8 -2.927 -8.946 2.571 1.00 73.45 H new ATOM 0 HZ1 LYS A 8 -3.209 -7.963 4.750 1.00 62.03 H new ATOM 0 HZ2 LYS A 8 -4.246 -7.213 3.634 1.00 62.03 H new ATOM 0 HZ3 LYS A 8 -4.866 -8.338 4.744 1.00 62.03 H new ATOM 147 N GLN A 9 -5.080 -12.629 -0.773 1.00 11.21 N ATOM 148 CA GLN A 9 -5.562 -13.999 -0.706 1.00 54.31 C ATOM 149 C GLN A 9 -5.613 -14.612 -2.107 1.00 44.42 C ATOM 150 O GLN A 9 -4.935 -15.602 -2.380 1.00 24.31 O ATOM 151 CB GLN A 9 -6.931 -14.066 -0.028 1.00 22.42 C ATOM 152 CG GLN A 9 -6.835 -13.652 1.443 1.00 2.22 C ATOM 153 CD GLN A 9 -6.580 -14.866 2.338 1.00 30.23 C ATOM 154 OE1 GLN A 9 -5.456 -15.294 2.541 1.00 60.23 O ATOM 155 NE2 GLN A 9 -7.683 -15.393 2.862 1.00 51.32 N ATOM 0 H GLN A 9 -5.812 -11.919 -0.783 1.00 11.21 H new ATOM 0 HA GLN A 9 -4.865 -14.580 -0.101 1.00 54.31 H new ATOM 0 HB2 GLN A 9 -7.631 -13.413 -0.549 1.00 22.42 H new ATOM 0 HB3 GLN A 9 -7.327 -15.079 -0.099 1.00 22.42 H new ATOM 0 HG2 GLN A 9 -6.031 -12.927 1.569 1.00 2.22 H new ATOM 0 HG3 GLN A 9 -7.758 -13.159 1.747 1.00 2.22 H new ATOM 0 HE21 GLN A 9 -8.593 -14.985 2.651 1.00 51.32 H new ATOM 0 HE22 GLN A 9 -7.618 -16.205 3.475 1.00 51.32 H new ATOM 164 N ARG A 10 -6.424 -14.000 -2.956 1.00 33.32 N ATOM 165 CA ARG A 10 -6.573 -14.474 -4.322 1.00 63.54 C ATOM 166 C ARG A 10 -5.233 -14.981 -4.857 1.00 21.45 C ATOM 167 O ARG A 10 -4.989 -16.186 -4.890 1.00 12.11 O ATOM 168 CB ARG A 10 -7.092 -13.363 -5.237 1.00 14.11 C ATOM 169 CG ARG A 10 -7.103 -13.817 -6.698 1.00 62.12 C ATOM 170 CD ARG A 10 -7.759 -15.191 -6.840 1.00 31.52 C ATOM 171 NE ARG A 10 -8.199 -15.401 -8.238 1.00 21.25 N ATOM 172 CZ ARG A 10 -8.845 -16.505 -8.671 1.00 24.41 C ATOM 173 NH1 ARG A 10 -9.131 -17.510 -7.817 1.00 13.41 N ATOM 174 NH2 ARG A 10 -9.190 -16.586 -9.942 1.00 1.04 N ATOM 0 H ARG A 10 -6.985 -13.180 -2.725 1.00 33.32 H new ATOM 0 HA ARG A 10 -7.296 -15.289 -4.313 1.00 63.54 H new ATOM 0 HB2 ARG A 10 -8.099 -13.078 -4.933 1.00 14.11 H new ATOM 0 HB3 ARG A 10 -6.465 -12.478 -5.132 1.00 14.11 H new ATOM 0 HG2 ARG A 10 -7.641 -13.089 -7.305 1.00 62.12 H new ATOM 0 HG3 ARG A 10 -6.082 -13.856 -7.078 1.00 62.12 H new ATOM 0 HD2 ARG A 10 -7.054 -15.971 -6.551 1.00 31.52 H new ATOM 0 HD3 ARG A 10 -8.613 -15.267 -6.166 1.00 31.52 H new ATOM 0 HE ARG A 10 -8.002 -14.666 -8.917 1.00 21.25 H new ATOM 0 HH11 ARG A 10 -8.859 -17.439 -6.837 1.00 13.41 H new ATOM 0 HH12 ARG A 10 -9.619 -18.341 -8.152 1.00 13.41 H new ATOM 0 HH21 ARG A 10 -8.968 -15.822 -10.580 1.00 1.04 H new ATOM 0 HH22 ARG A 10 -9.678 -17.413 -10.286 1.00 1.04 H new ATOM 187 N ARG A 11 -4.398 -14.035 -5.263 1.00 45.45 N ATOM 188 CA ARG A 11 -3.088 -14.371 -5.795 1.00 60.44 C ATOM 189 C ARG A 11 -2.481 -15.538 -5.014 1.00 23.52 C ATOM 190 O ARG A 11 -2.496 -15.541 -3.783 1.00 70.40 O ATOM 191 CB ARG A 11 -2.142 -13.172 -5.726 1.00 33.13 C ATOM 192 CG ARG A 11 -2.234 -12.326 -6.997 1.00 63.31 C ATOM 193 CD ARG A 11 -3.640 -11.747 -7.170 1.00 62.03 C ATOM 194 NE ARG A 11 -3.696 -10.910 -8.389 1.00 52.54 N ATOM 195 CZ ARG A 11 -3.696 -11.402 -9.646 1.00 14.32 C ATOM 196 NH1 ARG A 11 -3.641 -12.734 -9.860 1.00 51.33 N ATOM 197 NH2 ARG A 11 -3.749 -10.561 -10.662 1.00 0.21 N ATOM 0 H ARG A 11 -4.603 -13.036 -5.234 1.00 45.45 H new ATOM 0 HA ARG A 11 -3.217 -14.657 -6.839 1.00 60.44 H new ATOM 0 HB2 ARG A 11 -2.389 -12.559 -4.859 1.00 33.13 H new ATOM 0 HB3 ARG A 11 -1.118 -13.520 -5.590 1.00 33.13 H new ATOM 0 HG2 ARG A 11 -1.506 -11.516 -6.952 1.00 63.31 H new ATOM 0 HG3 ARG A 11 -1.979 -12.936 -7.863 1.00 63.31 H new ATOM 0 HD2 ARG A 11 -4.369 -12.555 -7.240 1.00 62.03 H new ATOM 0 HD3 ARG A 11 -3.907 -11.151 -6.297 1.00 62.03 H new ATOM 0 HE ARG A 11 -3.737 -9.898 -8.272 1.00 52.54 H new ATOM 0 HH11 ARG A 11 -3.599 -13.376 -9.069 1.00 51.33 H new ATOM 0 HH12 ARG A 11 -3.641 -13.098 -10.813 1.00 51.33 H new ATOM 0 HH21 ARG A 11 -3.789 -9.556 -10.491 1.00 0.21 H new ATOM 0 HH22 ARG A 11 -3.750 -10.916 -11.618 1.00 0.21 H new ATOM 210 N SER A 12 -1.961 -16.501 -5.758 1.00 42.14 N ATOM 211 CA SER A 12 -1.349 -17.671 -5.151 1.00 40.31 C ATOM 212 C SER A 12 -0.028 -17.284 -4.485 1.00 43.33 C ATOM 213 O SER A 12 0.842 -16.690 -5.120 1.00 14.04 O ATOM 214 CB SER A 12 -1.119 -18.774 -6.186 1.00 20.01 C ATOM 215 OG SER A 12 -2.296 -19.543 -6.418 1.00 61.51 O ATOM 0 H SER A 12 -1.950 -16.496 -6.778 1.00 42.14 H new ATOM 0 HA SER A 12 -2.031 -18.059 -4.394 1.00 40.31 H new ATOM 0 HB2 SER A 12 -0.787 -18.328 -7.123 1.00 20.01 H new ATOM 0 HB3 SER A 12 -0.319 -19.430 -5.844 1.00 20.01 H new ATOM 0 HG SER A 12 -2.108 -20.235 -7.086 1.00 61.51 H new ATOM 221 N PHE A 13 0.083 -17.636 -3.212 1.00 41.44 N ATOM 222 CA PHE A 13 1.283 -17.333 -2.453 1.00 63.33 C ATOM 223 C PHE A 13 2.540 -17.660 -3.262 1.00 44.41 C ATOM 224 O PHE A 13 3.488 -16.875 -3.289 1.00 20.03 O ATOM 225 CB PHE A 13 1.255 -18.212 -1.201 1.00 2.14 C ATOM 226 CG PHE A 13 1.913 -17.572 0.023 1.00 71.11 C ATOM 227 CD1 PHE A 13 1.682 -16.263 0.314 1.00 23.23 C ATOM 228 CD2 PHE A 13 2.729 -18.312 0.822 1.00 5.52 C ATOM 229 CE1 PHE A 13 2.293 -15.670 1.450 1.00 5.13 C ATOM 230 CE2 PHE A 13 3.340 -17.717 1.957 1.00 33.33 C ATOM 231 CZ PHE A 13 3.109 -16.409 2.248 1.00 61.43 C ATOM 0 H PHE A 13 -0.640 -18.129 -2.687 1.00 41.44 H new ATOM 0 HA PHE A 13 1.308 -16.272 -2.205 1.00 63.33 H new ATOM 0 HB2 PHE A 13 0.219 -18.451 -0.961 1.00 2.14 H new ATOM 0 HB3 PHE A 13 1.757 -19.154 -1.420 1.00 2.14 H new ATOM 0 HD1 PHE A 13 1.034 -15.675 -0.319 1.00 23.23 H new ATOM 0 HD2 PHE A 13 2.912 -19.351 0.593 1.00 5.52 H new ATOM 0 HE1 PHE A 13 2.110 -14.631 1.681 1.00 5.13 H new ATOM 0 HE2 PHE A 13 3.989 -18.304 2.590 1.00 33.33 H new ATOM 0 HZ PHE A 13 3.573 -15.957 3.112 1.00 61.43 H new ATOM 241 N GLU A 14 2.509 -18.820 -3.901 1.00 55.44 N ATOM 242 CA GLU A 14 3.635 -19.261 -4.708 1.00 2.44 C ATOM 243 C GLU A 14 3.924 -18.244 -5.814 1.00 21.01 C ATOM 244 O GLU A 14 5.079 -18.032 -6.179 1.00 32.24 O ATOM 245 CB GLU A 14 3.378 -20.650 -5.294 1.00 3.33 C ATOM 246 CG GLU A 14 3.754 -21.745 -4.294 1.00 34.15 C ATOM 247 CD GLU A 14 5.271 -21.822 -4.109 1.00 72.44 C ATOM 248 OE1 GLU A 14 5.783 -21.475 -3.035 1.00 44.41 O ATOM 249 OE2 GLU A 14 5.923 -22.261 -5.132 1.00 21.22 O ATOM 0 H GLU A 14 1.722 -19.468 -3.877 1.00 55.44 H new ATOM 0 HA GLU A 14 4.513 -19.331 -4.066 1.00 2.44 H new ATOM 0 HB2 GLU A 14 2.327 -20.745 -5.565 1.00 3.33 H new ATOM 0 HB3 GLU A 14 3.956 -20.775 -6.210 1.00 3.33 H new ATOM 0 HG2 GLU A 14 3.277 -21.546 -3.335 1.00 34.15 H new ATOM 0 HG3 GLU A 14 3.378 -22.706 -4.643 1.00 34.15 H new ATOM 257 N GLN A 15 2.856 -17.643 -6.316 1.00 45.15 N ATOM 258 CA GLN A 15 2.981 -16.654 -7.373 1.00 41.13 C ATOM 259 C GLN A 15 3.408 -15.305 -6.789 1.00 53.54 C ATOM 260 O GLN A 15 4.140 -14.552 -7.429 1.00 72.22 O ATOM 261 CB GLN A 15 1.676 -16.523 -8.159 1.00 53.44 C ATOM 262 CG GLN A 15 1.547 -17.638 -9.199 1.00 54.20 C ATOM 263 CD GLN A 15 2.640 -17.524 -10.263 1.00 14.33 C ATOM 264 OE1 GLN A 15 3.647 -18.212 -10.232 1.00 75.04 O ATOM 265 NE2 GLN A 15 2.386 -16.620 -11.205 1.00 10.33 N ATOM 0 H GLN A 15 1.899 -17.822 -6.010 1.00 45.15 H new ATOM 0 HA GLN A 15 3.752 -16.988 -8.067 1.00 41.13 H new ATOM 0 HB2 GLN A 15 0.829 -16.561 -7.474 1.00 53.44 H new ATOM 0 HB3 GLN A 15 1.642 -15.553 -8.655 1.00 53.44 H new ATOM 0 HG2 GLN A 15 1.613 -18.608 -8.707 1.00 54.20 H new ATOM 0 HG3 GLN A 15 0.567 -17.587 -9.673 1.00 54.20 H new ATOM 0 HE21 GLN A 15 1.523 -16.077 -11.172 1.00 10.33 H new ATOM 0 HE22 GLN A 15 3.054 -16.469 -11.961 1.00 10.33 H new ATOM 274 N ARG A 16 2.930 -15.041 -5.582 1.00 3.03 N ATOM 275 CA ARG A 16 3.252 -13.797 -4.905 1.00 14.35 C ATOM 276 C ARG A 16 4.701 -13.820 -4.412 1.00 53.10 C ATOM 277 O ARG A 16 5.336 -12.773 -4.292 1.00 3.11 O ATOM 278 CB ARG A 16 2.320 -13.559 -3.716 1.00 24.11 C ATOM 279 CG ARG A 16 0.864 -13.454 -4.174 1.00 72.42 C ATOM 280 CD ARG A 16 0.533 -12.031 -4.630 1.00 11.40 C ATOM 281 NE ARG A 16 0.860 -11.870 -6.065 1.00 51.11 N ATOM 282 CZ ARG A 16 0.810 -10.695 -6.725 1.00 12.01 C ATOM 283 NH1 ARG A 16 0.445 -9.563 -6.085 1.00 15.11 N ATOM 284 NH2 ARG A 16 1.123 -10.666 -8.008 1.00 73.11 N ATOM 0 H ARG A 16 2.322 -15.668 -5.055 1.00 3.03 H new ATOM 0 HA ARG A 16 3.121 -12.987 -5.622 1.00 14.35 H new ATOM 0 HB2 ARG A 16 2.422 -14.375 -3.000 1.00 24.11 H new ATOM 0 HB3 ARG A 16 2.610 -12.644 -3.200 1.00 24.11 H new ATOM 0 HG2 ARG A 16 0.685 -14.152 -4.992 1.00 72.42 H new ATOM 0 HG3 ARG A 16 0.201 -13.742 -3.358 1.00 72.42 H new ATOM 0 HD2 ARG A 16 -0.524 -11.824 -4.464 1.00 11.40 H new ATOM 0 HD3 ARG A 16 1.096 -11.310 -4.037 1.00 11.40 H new ATOM 0 HE ARG A 16 1.141 -12.700 -6.587 1.00 51.11 H new ATOM 0 HH11 ARG A 16 0.204 -9.592 -5.094 1.00 15.11 H new ATOM 0 HH12 ARG A 16 0.410 -8.679 -6.592 1.00 15.11 H new ATOM 0 HH21 ARG A 16 1.398 -11.524 -8.485 1.00 73.11 H new ATOM 0 HH22 ARG A 16 1.090 -9.785 -8.521 1.00 73.11 H new ATOM 297 N VAL A 17 5.180 -15.025 -4.140 1.00 23.21 N ATOM 298 CA VAL A 17 6.542 -15.198 -3.662 1.00 72.24 C ATOM 299 C VAL A 17 7.509 -15.077 -4.840 1.00 12.31 C ATOM 300 O VAL A 17 8.618 -14.564 -4.688 1.00 41.11 O ATOM 301 CB VAL A 17 6.670 -16.529 -2.917 1.00 61.12 C ATOM 302 CG1 VAL A 17 8.112 -16.771 -2.471 1.00 70.24 C ATOM 303 CG2 VAL A 17 5.710 -16.584 -1.727 1.00 4.10 C ATOM 0 H VAL A 17 4.650 -15.891 -4.241 1.00 23.21 H new ATOM 0 HA VAL A 17 6.799 -14.416 -2.948 1.00 72.24 H new ATOM 0 HB VAL A 17 6.395 -17.328 -3.606 1.00 61.12 H new ATOM 0 HG11 VAL A 17 8.175 -17.723 -1.944 1.00 70.24 H new ATOM 0 HG12 VAL A 17 8.764 -16.796 -3.344 1.00 70.24 H new ATOM 0 HG13 VAL A 17 8.427 -15.967 -1.806 1.00 70.24 H new ATOM 0 HG21 VAL A 17 5.820 -17.540 -1.214 1.00 4.10 H new ATOM 0 HG22 VAL A 17 5.940 -15.773 -1.036 1.00 4.10 H new ATOM 0 HG23 VAL A 17 4.685 -16.479 -2.082 1.00 4.10 H new ATOM 313 N GLU A 18 7.057 -15.558 -5.989 1.00 25.41 N ATOM 314 CA GLU A 18 7.870 -15.511 -7.192 1.00 5.04 C ATOM 315 C GLU A 18 7.825 -14.110 -7.808 1.00 14.13 C ATOM 316 O GLU A 18 8.831 -13.623 -8.321 1.00 42.13 O ATOM 317 CB GLU A 18 7.417 -16.568 -8.202 1.00 74.55 C ATOM 318 CG GLU A 18 8.527 -16.874 -9.210 1.00 43.23 C ATOM 319 CD GLU A 18 7.961 -17.551 -10.460 1.00 34.23 C ATOM 320 OE1 GLU A 18 6.905 -17.140 -10.962 1.00 42.32 O ATOM 321 OE2 GLU A 18 8.659 -18.537 -10.910 1.00 63.31 O ATOM 0 H GLU A 18 6.138 -15.982 -6.112 1.00 25.41 H new ATOM 0 HA GLU A 18 8.901 -15.735 -6.919 1.00 5.04 H new ATOM 0 HB2 GLU A 18 7.136 -17.481 -7.677 1.00 74.55 H new ATOM 0 HB3 GLU A 18 6.530 -16.217 -8.728 1.00 74.55 H new ATOM 0 HG2 GLU A 18 9.034 -15.950 -9.490 1.00 43.23 H new ATOM 0 HG3 GLU A 18 9.274 -17.520 -8.749 1.00 43.23 H new ATOM 329 N ASP A 19 6.649 -13.505 -7.737 1.00 32.14 N ATOM 330 CA ASP A 19 6.461 -12.171 -8.281 1.00 24.24 C ATOM 331 C ASP A 19 7.445 -11.208 -7.613 1.00 51.31 C ATOM 332 O ASP A 19 8.139 -10.454 -8.293 1.00 42.23 O ATOM 333 CB ASP A 19 5.044 -11.661 -8.010 1.00 51.12 C ATOM 334 CG ASP A 19 4.606 -10.479 -8.876 1.00 40.34 C ATOM 335 OD1 ASP A 19 5.202 -9.393 -8.825 1.00 21.13 O ATOM 336 OD2 ASP A 19 3.592 -10.709 -9.641 1.00 21.13 O ATOM 0 H ASP A 19 5.817 -13.914 -7.311 1.00 32.14 H new ATOM 0 HA ASP A 19 6.628 -12.219 -9.357 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.343 -12.482 -8.161 1.00 51.12 H new ATOM 0 HB3 ASP A 19 4.973 -11.370 -6.962 1.00 51.12 H new ATOM 342 N VAL A 20 7.473 -11.266 -6.289 1.00 71.23 N ATOM 343 CA VAL A 20 8.361 -10.409 -5.522 1.00 54.42 C ATOM 344 C VAL A 20 9.810 -10.842 -5.756 1.00 35.23 C ATOM 345 O VAL A 20 10.669 -10.011 -6.046 1.00 13.24 O ATOM 346 CB VAL A 20 7.962 -10.432 -4.045 1.00 4.51 C ATOM 347 CG1 VAL A 20 8.709 -11.534 -3.292 1.00 23.14 C ATOM 348 CG2 VAL A 20 8.195 -9.067 -3.392 1.00 35.51 C ATOM 0 H VAL A 20 6.895 -11.893 -5.729 1.00 71.23 H new ATOM 0 HA VAL A 20 8.274 -9.374 -5.854 1.00 54.42 H new ATOM 0 HB VAL A 20 6.896 -10.652 -3.990 1.00 4.51 H new ATOM 0 HG11 VAL A 20 8.407 -11.528 -2.245 1.00 23.14 H new ATOM 0 HG12 VAL A 20 8.471 -12.502 -3.733 1.00 23.14 H new ATOM 0 HG13 VAL A 20 9.783 -11.358 -3.361 1.00 23.14 H new ATOM 0 HG21 VAL A 20 7.903 -9.111 -2.343 1.00 35.51 H new ATOM 0 HG22 VAL A 20 9.250 -8.804 -3.464 1.00 35.51 H new ATOM 0 HG23 VAL A 20 7.597 -8.312 -3.903 1.00 35.51 H new ATOM 358 N ARG A 21 10.035 -12.140 -5.623 1.00 73.35 N ATOM 359 CA ARG A 21 11.364 -12.693 -5.818 1.00 12.33 C ATOM 360 C ARG A 21 12.019 -12.078 -7.057 1.00 3.32 C ATOM 361 O ARG A 21 13.243 -12.006 -7.145 1.00 20.04 O ATOM 362 CB ARG A 21 11.310 -14.213 -5.978 1.00 32.23 C ATOM 363 CG ARG A 21 12.704 -14.787 -6.246 1.00 24.21 C ATOM 364 CD ARG A 21 12.624 -16.263 -6.639 1.00 65.53 C ATOM 365 NE ARG A 21 13.938 -16.727 -7.136 1.00 31.50 N ATOM 366 CZ ARG A 21 14.238 -18.017 -7.393 1.00 64.23 C ATOM 367 NH1 ARG A 21 13.318 -18.986 -7.201 1.00 64.10 N ATOM 368 NH2 ARG A 21 15.445 -18.318 -7.835 1.00 2.31 N ATOM 0 H ARG A 21 9.319 -12.825 -5.382 1.00 73.35 H new ATOM 0 HA ARG A 21 11.956 -12.454 -4.934 1.00 12.33 H new ATOM 0 HB2 ARG A 21 10.895 -14.663 -5.076 1.00 32.23 H new ATOM 0 HB3 ARG A 21 10.642 -14.472 -6.799 1.00 32.23 H new ATOM 0 HG2 ARG A 21 13.187 -14.221 -7.042 1.00 24.21 H new ATOM 0 HG3 ARG A 21 13.323 -14.677 -5.356 1.00 24.21 H new ATOM 0 HD2 ARG A 21 12.320 -16.860 -5.780 1.00 65.53 H new ATOM 0 HD3 ARG A 21 11.865 -16.402 -7.409 1.00 65.53 H new ATOM 0 HE ARG A 21 14.663 -16.027 -7.294 1.00 31.50 H new ATOM 0 HH11 ARG A 21 12.388 -18.745 -6.859 1.00 64.10 H new ATOM 0 HH12 ARG A 21 13.553 -19.959 -7.398 1.00 64.10 H new ATOM 0 HH21 ARG A 21 16.135 -17.580 -7.977 1.00 2.31 H new ATOM 0 HH22 ARG A 21 15.688 -19.288 -8.034 1.00 2.31 H new ATOM 381 N LEU A 22 11.173 -11.652 -7.983 1.00 21.23 N ATOM 382 CA LEU A 22 11.654 -11.046 -9.213 1.00 44.20 C ATOM 383 C LEU A 22 12.149 -9.629 -8.919 1.00 44.01 C ATOM 384 O LEU A 22 13.334 -9.336 -9.076 1.00 64.33 O ATOM 385 CB LEU A 22 10.576 -11.109 -10.298 1.00 45.15 C ATOM 386 CG LEU A 22 10.591 -12.354 -11.187 1.00 0.33 C ATOM 387 CD1 LEU A 22 11.160 -12.033 -12.570 1.00 14.41 C ATOM 388 CD2 LEU A 22 11.343 -13.502 -10.510 1.00 33.03 C ATOM 0 H LEU A 22 10.158 -11.714 -7.906 1.00 21.23 H new ATOM 0 HA LEU A 22 12.503 -11.605 -9.607 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.600 -11.042 -9.817 1.00 45.15 H new ATOM 0 HB3 LEU A 22 10.678 -10.231 -10.935 1.00 45.15 H new ATOM 0 HG LEU A 22 9.562 -12.684 -11.331 1.00 0.33 H new ATOM 0 HD11 LEU A 22 11.159 -12.935 -13.182 1.00 14.41 H new ATOM 0 HD12 LEU A 22 10.546 -11.270 -13.048 1.00 14.41 H new ATOM 0 HD13 LEU A 22 12.181 -11.665 -12.467 1.00 14.41 H new ATOM 0 HD21 LEU A 22 11.339 -14.375 -11.163 1.00 33.03 H new ATOM 0 HD22 LEU A 22 12.372 -13.199 -10.316 1.00 33.03 H new ATOM 0 HD23 LEU A 22 10.855 -13.751 -9.568 1.00 33.03 H new ATOM 400 N ILE A 23 11.218 -8.786 -8.497 1.00 72.43 N ATOM 401 CA ILE A 23 11.544 -7.407 -8.180 1.00 73.03 C ATOM 402 C ILE A 23 12.730 -7.377 -7.212 1.00 50.41 C ATOM 403 O ILE A 23 13.419 -6.365 -7.100 1.00 52.54 O ATOM 404 CB ILE A 23 10.309 -6.668 -7.662 1.00 1.30 C ATOM 405 CG1 ILE A 23 9.769 -5.697 -8.712 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.604 -5.970 -6.332 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.273 -6.448 -9.950 1.00 24.34 C ATOM 0 H ILE A 23 10.237 -9.032 -8.367 1.00 72.43 H new ATOM 0 HA ILE A 23 11.851 -6.873 -9.079 1.00 73.03 H new ATOM 0 HB ILE A 23 9.527 -7.403 -7.473 1.00 1.30 H new ATOM 0 HG12 ILE A 23 8.954 -5.112 -8.286 1.00 62.53 H new ATOM 0 HG13 ILE A 23 10.551 -4.993 -8.998 1.00 62.53 H new ATOM 0 HG21 ILE A 23 9.709 -5.452 -5.986 1.00 72.53 H new ATOM 0 HG22 ILE A 23 10.904 -6.711 -5.591 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.410 -5.249 -6.470 1.00 72.53 H new ATOM 0 HD11 ILE A 23 8.894 -5.734 -10.681 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.096 -7.013 -10.387 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.475 -7.133 -9.664 1.00 24.34 H new ATOM 419 N ARG A 24 12.929 -8.500 -6.538 1.00 12.34 N ATOM 420 CA ARG A 24 14.019 -8.616 -5.583 1.00 45.23 C ATOM 421 C ARG A 24 15.366 -8.575 -6.308 1.00 1.14 C ATOM 422 O ARG A 24 16.324 -7.985 -5.811 1.00 74.04 O ATOM 423 CB ARG A 24 13.916 -9.918 -4.786 1.00 34.14 C ATOM 424 CG ARG A 24 13.083 -9.719 -3.518 1.00 13.13 C ATOM 425 CD ARG A 24 13.888 -8.984 -2.444 1.00 0.34 C ATOM 426 NE ARG A 24 13.777 -7.522 -2.642 1.00 52.12 N ATOM 427 CZ ARG A 24 14.604 -6.616 -2.078 1.00 54.35 C ATOM 428 NH1 ARG A 24 15.613 -7.017 -1.275 1.00 71.43 N ATOM 429 NH2 ARG A 24 14.413 -5.334 -2.323 1.00 1.01 N ATOM 0 H ARG A 24 12.355 -9.337 -6.634 1.00 12.34 H new ATOM 0 HA ARG A 24 13.948 -7.775 -4.894 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.464 -10.693 -5.405 1.00 34.14 H new ATOM 0 HB3 ARG A 24 14.914 -10.265 -4.519 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.183 -9.152 -3.755 1.00 13.13 H new ATOM 0 HG3 ARG A 24 12.758 -10.687 -3.136 1.00 13.13 H new ATOM 0 HD2 ARG A 24 13.521 -9.254 -1.454 1.00 0.34 H new ATOM 0 HD3 ARG A 24 14.934 -9.287 -2.490 1.00 0.34 H new ATOM 0 HE ARG A 24 13.028 -7.177 -3.243 1.00 52.12 H new ATOM 0 HH11 ARG A 24 15.754 -8.010 -1.091 1.00 71.43 H new ATOM 0 HH12 ARG A 24 16.234 -6.327 -0.853 1.00 71.43 H new ATOM 0 HH21 ARG A 24 13.649 -5.039 -2.931 1.00 1.01 H new ATOM 0 HH22 ARG A 24 15.029 -4.637 -1.904 1.00 1.01 H new ATOM 442 N GLU A 25 15.396 -9.209 -7.470 1.00 75.54 N ATOM 443 CA GLU A 25 16.610 -9.252 -8.269 1.00 71.24 C ATOM 444 C GLU A 25 16.616 -8.112 -9.288 1.00 4.54 C ATOM 445 O GLU A 25 17.661 -7.525 -9.563 1.00 51.11 O ATOM 446 CB GLU A 25 16.762 -10.608 -8.961 1.00 21.24 C ATOM 447 CG GLU A 25 16.000 -10.635 -10.288 1.00 65.42 C ATOM 448 CD GLU A 25 16.829 -10.005 -11.409 1.00 43.43 C ATOM 449 OE1 GLU A 25 16.403 -10.012 -12.574 1.00 42.04 O ATOM 450 OE2 GLU A 25 17.952 -9.494 -11.035 1.00 50.21 O ATOM 0 H GLU A 25 14.599 -9.698 -7.878 1.00 75.54 H new ATOM 0 HA GLU A 25 17.464 -9.122 -7.604 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.818 -10.813 -9.139 1.00 21.24 H new ATOM 0 HB3 GLU A 25 16.390 -11.397 -8.308 1.00 21.24 H new ATOM 0 HG2 GLU A 25 15.752 -11.664 -10.548 1.00 65.42 H new ATOM 0 HG3 GLU A 25 15.058 -10.097 -10.181 1.00 65.42 H new ATOM 458 N GLN A 26 15.436 -7.832 -9.822 1.00 42.22 N ATOM 459 CA GLN A 26 15.292 -6.773 -10.806 1.00 1.04 C ATOM 460 C GLN A 26 15.282 -5.407 -10.117 1.00 74.23 C ATOM 461 O GLN A 26 15.580 -4.390 -10.742 1.00 72.32 O ATOM 462 CB GLN A 26 14.028 -6.972 -11.646 1.00 4.32 C ATOM 463 CG GLN A 26 14.124 -8.245 -12.488 1.00 11.50 C ATOM 464 CD GLN A 26 13.010 -8.296 -13.535 1.00 70.32 C ATOM 465 OE1 GLN A 26 12.009 -9.113 -13.220 1.00 21.42 O flip ATOM 466 NE2 GLN A 26 13.056 -7.638 -14.561 1.00 14.23 N flip ATOM 0 H GLN A 26 14.571 -8.320 -9.592 1.00 42.22 H new ATOM 0 HA GLN A 26 16.147 -6.812 -11.481 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.158 -7.029 -10.992 1.00 4.32 H new ATOM 0 HB3 GLN A 26 13.881 -6.111 -12.298 1.00 4.32 H new ATOM 0 HG2 GLN A 26 15.095 -8.286 -12.982 1.00 11.50 H new ATOM 0 HG3 GLN A 26 14.059 -9.119 -11.840 1.00 11.50 H new ATOM 0 HE21 GLN A 26 13.855 -7.030 -14.741 1.00 14.23 H new ATOM 0 HE22 GLN A 26 12.296 -7.696 -15.239 1.00 14.23 H new ATOM 475 N HIS A 27 14.937 -5.427 -8.838 1.00 51.23 N ATOM 476 CA HIS A 27 14.886 -4.202 -8.057 1.00 52.43 C ATOM 477 C HIS A 27 15.187 -4.516 -6.591 1.00 72.33 C ATOM 478 O HIS A 27 14.296 -4.461 -5.744 1.00 1.33 O ATOM 479 CB HIS A 27 13.544 -3.493 -8.248 1.00 21.24 C ATOM 480 CG HIS A 27 13.212 -3.186 -9.689 1.00 74.33 C ATOM 481 ND1 HIS A 27 13.225 -1.900 -10.204 1.00 31.43 N ATOM 482 CD2 HIS A 27 12.858 -4.009 -10.717 1.00 21.41 C ATOM 483 CE1 HIS A 27 12.893 -1.960 -11.485 1.00 74.54 C ATOM 484 NE2 HIS A 27 12.665 -3.267 -11.801 1.00 22.24 N ATOM 0 H HIS A 27 14.690 -6.272 -8.323 1.00 51.23 H new ATOM 0 HA HIS A 27 15.651 -3.509 -8.408 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.753 -4.115 -7.828 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.553 -2.562 -7.681 1.00 21.24 H new ATOM 0 HD2 HIS A 27 12.753 -5.082 -10.659 1.00 21.41 H new ATOM 0 HE1 HIS A 27 12.816 -1.121 -12.161 1.00 74.54 H new ATOM 0 HE2 HIS A 27 12.391 -3.617 -12.719 1.00 22.24 H new ATOM 492 N PRO A 28 16.479 -4.847 -6.327 1.00 55.03 N ATOM 493 CA PRO A 28 16.909 -5.170 -4.977 1.00 41.14 C ATOM 494 C PRO A 28 17.021 -3.906 -4.121 1.00 41.12 C ATOM 495 O PRO A 28 16.903 -3.968 -2.898 1.00 74.04 O ATOM 496 CB PRO A 28 18.236 -5.891 -5.148 1.00 22.43 C ATOM 497 CG PRO A 28 18.725 -5.537 -6.544 1.00 40.31 C ATOM 498 CD PRO A 28 17.561 -4.922 -7.304 1.00 2.23 C ATOM 0 HA PRO A 28 16.195 -5.800 -4.447 1.00 41.14 H new ATOM 0 HB2 PRO A 28 18.953 -5.574 -4.391 1.00 22.43 H new ATOM 0 HB3 PRO A 28 18.112 -6.968 -5.039 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.558 -4.837 -6.490 1.00 40.31 H new ATOM 0 HG3 PRO A 28 19.089 -6.427 -7.058 1.00 40.31 H new ATOM 0 HD2 PRO A 28 17.817 -3.935 -7.688 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.279 -5.535 -8.161 1.00 2.23 H new ATOM 506 N THR A 29 17.249 -2.790 -4.797 1.00 63.23 N ATOM 507 CA THR A 29 17.379 -1.514 -4.114 1.00 35.40 C ATOM 508 C THR A 29 16.008 -0.856 -3.949 1.00 2.51 C ATOM 509 O THR A 29 15.917 0.320 -3.598 1.00 3.01 O ATOM 510 CB THR A 29 18.374 -0.656 -4.899 1.00 72.21 C ATOM 511 OG1 THR A 29 18.011 -0.862 -6.261 1.00 20.14 O ATOM 512 CG2 THR A 29 19.805 -1.191 -4.810 1.00 4.31 C ATOM 0 H THR A 29 17.347 -2.743 -5.811 1.00 63.23 H new ATOM 0 HA THR A 29 17.767 -1.644 -3.104 1.00 35.40 H new ATOM 0 HB THR A 29 18.345 0.368 -4.525 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.605 -0.340 -6.840 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.471 -0.546 -5.384 1.00 4.31 H new ATOM 0 HG22 THR A 29 20.124 -1.206 -3.768 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.841 -2.202 -5.215 1.00 4.31 H new ATOM 520 N LYS A 30 14.974 -1.643 -4.209 1.00 73.12 N ATOM 521 CA LYS A 30 13.612 -1.152 -4.093 1.00 13.34 C ATOM 522 C LYS A 30 12.818 -2.074 -3.166 1.00 74.25 C ATOM 523 O LYS A 30 13.287 -3.154 -2.808 1.00 52.32 O ATOM 524 CB LYS A 30 12.983 -0.983 -5.478 1.00 53.11 C ATOM 525 CG LYS A 30 13.878 -0.138 -6.386 1.00 74.24 C ATOM 526 CD LYS A 30 13.325 1.280 -6.535 1.00 31.34 C ATOM 527 CE LYS A 30 13.614 1.838 -7.931 1.00 62.14 C ATOM 528 NZ LYS A 30 13.022 0.967 -8.970 1.00 64.44 N ATOM 0 H LYS A 30 15.053 -2.618 -4.500 1.00 73.12 H new ATOM 0 HA LYS A 30 13.603 -0.160 -3.641 1.00 13.34 H new ATOM 0 HB2 LYS A 30 12.821 -1.962 -5.930 1.00 53.11 H new ATOM 0 HB3 LYS A 30 12.006 -0.510 -5.382 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.886 -0.098 -5.973 1.00 74.24 H new ATOM 0 HG3 LYS A 30 13.954 -0.608 -7.367 1.00 74.24 H new ATOM 0 HD2 LYS A 30 12.250 1.275 -6.357 1.00 31.34 H new ATOM 0 HD3 LYS A 30 13.770 1.929 -5.781 1.00 31.34 H new ATOM 0 HE2 LYS A 30 13.207 2.846 -8.018 1.00 62.14 H new ATOM 0 HE3 LYS A 30 14.691 1.915 -8.083 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 12.797 1.534 -9.812 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 13.700 0.221 -9.226 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 12.151 0.532 -8.604 1.00 64.44 H new ATOM 541 N ILE A 31 11.629 -1.616 -2.802 1.00 11.23 N ATOM 542 CA ILE A 31 10.766 -2.387 -1.923 1.00 34.53 C ATOM 543 C ILE A 31 9.453 -2.694 -2.646 1.00 61.33 C ATOM 544 O ILE A 31 8.739 -1.781 -3.058 1.00 14.43 O ATOM 545 CB ILE A 31 10.579 -1.664 -0.588 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.928 -1.254 0.007 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.758 -2.514 0.384 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.620 -2.446 0.671 1.00 43.44 C ATOM 0 H ILE A 31 11.243 -0.720 -3.100 1.00 11.23 H new ATOM 0 HA ILE A 31 11.227 -3.344 -1.679 1.00 34.53 H new ATOM 0 HB ILE A 31 10.016 -0.748 -0.770 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.567 -0.849 -0.777 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.780 -0.461 0.740 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.639 -1.978 1.325 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.777 -2.713 -0.046 1.00 3.42 H new ATOM 0 HG23 ILE A 31 10.273 -3.457 0.566 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.576 -2.127 1.085 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.989 -2.834 1.471 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.788 -3.228 -0.070 1.00 43.44 H new ATOM 560 N PRO A 32 9.167 -4.016 -2.782 1.00 41.13 N ATOM 561 CA PRO A 32 7.952 -4.455 -3.447 1.00 31.23 C ATOM 562 C PRO A 32 6.730 -4.245 -2.551 1.00 60.01 C ATOM 563 O PRO A 32 6.733 -4.647 -1.388 1.00 33.01 O ATOM 564 CB PRO A 32 8.196 -5.916 -3.788 1.00 4.31 C ATOM 565 CG PRO A 32 9.340 -6.367 -2.896 1.00 32.45 C ATOM 566 CD PRO A 32 9.988 -5.125 -2.305 1.00 10.22 C ATOM 0 HA PRO A 32 7.734 -3.881 -4.348 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.302 -6.513 -3.609 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.452 -6.034 -4.841 1.00 4.31 H new ATOM 0 HG2 PRO A 32 8.972 -7.019 -2.104 1.00 32.45 H new ATOM 0 HG3 PRO A 32 10.068 -6.941 -3.469 1.00 32.45 H new ATOM 0 HD2 PRO A 32 10.003 -5.166 -1.216 1.00 10.22 H new ATOM 0 HD3 PRO A 32 11.022 -5.023 -2.635 1.00 10.22 H new ATOM 574 N VAL A 33 5.715 -3.619 -3.127 1.00 12.13 N ATOM 575 CA VAL A 33 4.487 -3.352 -2.394 1.00 24.23 C ATOM 576 C VAL A 33 3.289 -3.565 -3.321 1.00 4.32 C ATOM 577 O VAL A 33 3.432 -3.534 -4.543 1.00 1.31 O ATOM 578 CB VAL A 33 4.534 -1.948 -1.789 1.00 41.31 C ATOM 579 CG1 VAL A 33 5.936 -1.620 -1.272 1.00 5.21 C ATOM 580 CG2 VAL A 33 4.063 -0.900 -2.799 1.00 4.04 C ATOM 0 H VAL A 33 5.716 -3.289 -4.092 1.00 12.13 H new ATOM 0 HA VAL A 33 4.380 -4.046 -1.561 1.00 24.23 H new ATOM 0 HB VAL A 33 3.851 -1.926 -0.940 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.942 -0.616 -0.847 1.00 5.21 H new ATOM 0 HG12 VAL A 33 6.219 -2.341 -0.504 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.648 -1.669 -2.096 1.00 5.21 H new ATOM 0 HG21 VAL A 33 4.106 0.089 -2.344 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.709 -0.924 -3.676 1.00 4.04 H new ATOM 0 HG23 VAL A 33 3.038 -1.118 -3.098 1.00 4.04 H new ATOM 590 N ILE A 34 2.136 -3.776 -2.705 1.00 53.34 N ATOM 591 CA ILE A 34 0.912 -3.992 -3.460 1.00 0.30 C ATOM 592 C ILE A 34 -0.193 -3.095 -2.902 1.00 63.12 C ATOM 593 O ILE A 34 -0.574 -3.222 -1.740 1.00 30.23 O ATOM 594 CB ILE A 34 0.550 -5.479 -3.474 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.652 -6.307 -4.136 1.00 35.11 C ATOM 596 CG2 ILE A 34 -0.812 -5.704 -4.137 1.00 40.24 C ATOM 597 CD1 ILE A 34 1.660 -6.098 -5.652 1.00 42.24 C ATOM 0 H ILE A 34 2.022 -3.802 -1.692 1.00 53.34 H new ATOM 0 HA ILE A 34 1.052 -3.710 -4.504 1.00 0.30 H new ATOM 0 HB ILE A 34 0.468 -5.820 -2.442 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.621 -6.027 -3.722 1.00 35.11 H new ATOM 0 HG13 ILE A 34 1.503 -7.363 -3.912 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -1.046 -6.768 -4.135 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.580 -5.162 -3.584 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -0.781 -5.342 -5.165 1.00 40.24 H new ATOM 0 HD11 ILE A 34 2.453 -6.698 -6.098 1.00 42.24 H new ATOM 0 HD12 ILE A 34 0.699 -6.402 -6.066 1.00 42.24 H new ATOM 0 HD13 ILE A 34 1.834 -5.045 -5.873 1.00 42.24 H new ATOM 609 N ILE A 35 -0.677 -2.205 -3.757 1.00 13.32 N ATOM 610 CA ILE A 35 -1.731 -1.286 -3.363 1.00 43.02 C ATOM 611 C ILE A 35 -3.060 -1.755 -3.959 1.00 62.52 C ATOM 612 O ILE A 35 -3.156 -1.986 -5.163 1.00 31.22 O ATOM 613 CB ILE A 35 -1.360 0.149 -3.742 1.00 14.43 C ATOM 614 CG1 ILE A 35 0.121 0.422 -3.469 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.268 1.157 -3.034 1.00 64.40 C ATOM 616 CD1 ILE A 35 0.375 0.622 -1.973 1.00 12.23 C ATOM 0 H ILE A 35 -0.358 -2.101 -4.720 1.00 13.32 H new ATOM 0 HA ILE A 35 -1.850 -1.285 -2.279 1.00 43.02 H new ATOM 0 HB ILE A 35 -1.519 0.271 -4.813 1.00 14.43 H new ATOM 0 HG12 ILE A 35 0.722 -0.411 -3.835 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.438 1.309 -4.017 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -1.982 2.169 -3.321 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -3.304 0.977 -3.321 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.165 1.044 -1.955 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.435 0.814 -1.806 1.00 12.23 H new ATOM 0 HD12 ILE A 35 -0.208 1.470 -1.615 1.00 12.23 H new ATOM 0 HD13 ILE A 35 0.080 -0.276 -1.431 1.00 12.23 H new ATOM 628 N GLU A 36 -4.050 -1.882 -3.089 1.00 14.05 N ATOM 629 CA GLU A 36 -5.370 -2.319 -3.514 1.00 10.15 C ATOM 630 C GLU A 36 -6.448 -1.418 -2.908 1.00 32.02 C ATOM 631 O GLU A 36 -6.194 -0.702 -1.942 1.00 33.43 O ATOM 632 CB GLU A 36 -5.607 -3.784 -3.144 1.00 14.40 C ATOM 633 CG GLU A 36 -4.367 -4.631 -3.434 1.00 64.41 C ATOM 634 CD GLU A 36 -3.548 -4.858 -2.162 1.00 73.35 C ATOM 635 OE1 GLU A 36 -2.309 -4.818 -2.206 1.00 11.42 O ATOM 636 OE2 GLU A 36 -4.243 -5.082 -1.099 1.00 2.44 O ATOM 0 H GLU A 36 -3.965 -1.690 -2.091 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.426 -2.239 -4.600 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -5.864 -3.859 -2.087 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.456 -4.172 -3.707 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -4.668 -5.591 -3.853 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -3.751 -4.135 -4.184 1.00 64.41 H new ATOM 644 N ARG A 37 -7.630 -1.483 -3.503 1.00 33.23 N ATOM 645 CA ARG A 37 -8.748 -0.683 -3.035 1.00 73.24 C ATOM 646 C ARG A 37 -9.427 -1.363 -1.845 1.00 64.52 C ATOM 647 O ARG A 37 -9.818 -2.527 -1.932 1.00 12.04 O ATOM 648 CB ARG A 37 -9.777 -0.469 -4.147 1.00 51.13 C ATOM 649 CG ARG A 37 -10.534 -1.765 -4.450 1.00 1.41 C ATOM 650 CD ARG A 37 -11.399 -1.614 -5.703 1.00 24.11 C ATOM 651 NE ARG A 37 -12.370 -2.728 -5.785 1.00 34.33 N ATOM 652 CZ ARG A 37 -13.339 -2.821 -6.720 1.00 70.24 C ATOM 653 NH1 ARG A 37 -13.475 -1.863 -7.663 1.00 72.20 N ATOM 654 NH2 ARG A 37 -14.152 -3.860 -6.698 1.00 44.03 N ATOM 0 H ARG A 37 -7.837 -2.078 -4.305 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.355 0.286 -2.728 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.482 0.308 -3.851 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.276 -0.117 -5.049 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.825 -2.581 -4.590 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -11.162 -2.031 -3.600 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -11.928 -0.661 -5.677 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -10.768 -1.605 -6.592 1.00 24.11 H new ATOM 0 HE ARG A 37 -12.303 -3.473 -5.091 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -12.843 -1.062 -7.672 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -14.210 -1.940 -8.366 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -14.043 -4.578 -5.982 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -14.890 -3.945 -7.397 1.00 44.03 H new ATOM 667 N TYR A 38 -9.548 -0.610 -0.762 1.00 2.33 N ATOM 668 CA TYR A 38 -10.172 -1.127 0.444 1.00 20.32 C ATOM 669 C TYR A 38 -11.484 -1.843 0.117 1.00 54.11 C ATOM 670 O TYR A 38 -12.244 -1.393 -0.739 1.00 13.01 O ATOM 671 CB TYR A 38 -10.474 0.092 1.318 1.00 12.43 C ATOM 672 CG TYR A 38 -11.663 -0.099 2.262 1.00 11.11 C ATOM 673 CD1 TYR A 38 -12.935 0.236 1.845 1.00 12.43 C ATOM 674 CD2 TYR A 38 -11.463 -0.604 3.530 1.00 42.23 C ATOM 675 CE1 TYR A 38 -14.055 0.057 2.734 1.00 53.35 C ATOM 676 CE2 TYR A 38 -12.582 -0.784 4.419 1.00 42.11 C ATOM 677 CZ TYR A 38 -13.823 -0.444 3.976 1.00 23.24 C ATOM 678 OH TYR A 38 -14.879 -0.613 4.815 1.00 23.44 O ATOM 0 H TYR A 38 -9.224 0.355 -0.694 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.517 -1.844 0.939 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.589 0.331 1.908 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -10.669 0.949 0.674 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.091 0.632 0.853 1.00 12.43 H new ATOM 0 HD2 TYR A 38 -10.467 -0.865 3.856 1.00 42.23 H new ATOM 0 HE1 TYR A 38 -15.056 0.315 2.421 1.00 53.35 H new ATOM 0 HE2 TYR A 38 -12.439 -1.180 5.414 1.00 42.11 H new ATOM 0 HH TYR A 38 -14.564 -0.980 5.667 1.00 23.44 H new ATOM 688 N LYS A 39 -11.710 -2.946 0.817 1.00 73.55 N ATOM 689 CA LYS A 39 -12.917 -3.729 0.612 1.00 43.43 C ATOM 690 C LYS A 39 -14.141 -2.837 0.832 1.00 21.11 C ATOM 691 O LYS A 39 -14.558 -2.620 1.969 1.00 3.42 O ATOM 692 CB LYS A 39 -12.900 -4.979 1.493 1.00 73.41 C ATOM 693 CG LYS A 39 -12.542 -4.628 2.938 1.00 61.13 C ATOM 694 CD LYS A 39 -13.059 -5.694 3.905 1.00 10.22 C ATOM 695 CE LYS A 39 -12.072 -6.857 4.019 1.00 52.01 C ATOM 696 NZ LYS A 39 -12.566 -7.863 4.985 1.00 32.44 N ATOM 0 H LYS A 39 -11.077 -3.316 1.527 1.00 73.55 H new ATOM 0 HA LYS A 39 -12.967 -4.092 -0.415 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -13.877 -5.462 1.464 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -12.179 -5.695 1.100 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -11.460 -4.536 3.036 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -12.969 -3.659 3.197 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -13.219 -5.251 4.888 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -14.025 -6.064 3.561 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -11.932 -7.320 3.042 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -11.098 -6.485 4.338 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -11.884 -8.646 5.050 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -12.677 -7.421 5.920 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -13.485 -8.230 4.665 1.00 32.44 H new ATOM 709 N GLY A 40 -14.682 -2.346 -0.272 1.00 74.45 N ATOM 710 CA GLY A 40 -15.849 -1.482 -0.213 1.00 3.24 C ATOM 711 C GLY A 40 -15.504 -0.060 -0.660 1.00 12.21 C ATOM 712 O GLY A 40 -16.273 0.871 -0.429 1.00 40.33 O ATOM 0 H GLY A 40 -14.334 -2.530 -1.213 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.637 -1.886 -0.849 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.240 -1.462 0.804 1.00 3.24 H new ATOM 716 N GLU A 41 -14.346 0.061 -1.291 1.00 33.32 N ATOM 717 CA GLU A 41 -13.889 1.355 -1.773 1.00 32.55 C ATOM 718 C GLU A 41 -14.461 1.635 -3.164 1.00 20.11 C ATOM 719 O GLU A 41 -14.247 0.861 -4.095 1.00 31.05 O ATOM 720 CB GLU A 41 -12.361 1.427 -1.784 1.00 62.14 C ATOM 721 CG GLU A 41 -11.880 2.772 -2.331 1.00 52.41 C ATOM 722 CD GLU A 41 -10.589 2.606 -3.136 1.00 41.41 C ATOM 723 OE1 GLU A 41 -9.569 2.161 -2.588 1.00 62.12 O ATOM 724 OE2 GLU A 41 -10.670 2.957 -4.374 1.00 34.32 O ATOM 0 H GLU A 41 -13.710 -0.714 -1.480 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.251 2.124 -1.091 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -11.979 1.284 -0.773 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -11.960 0.618 -2.394 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -12.653 3.209 -2.963 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -11.712 3.465 -1.507 1.00 52.41 H new ATOM 732 N LYS A 42 -15.176 2.746 -3.262 1.00 64.40 N ATOM 733 CA LYS A 42 -15.781 3.139 -4.523 1.00 2.11 C ATOM 734 C LYS A 42 -15.310 4.546 -4.893 1.00 14.01 C ATOM 735 O LYS A 42 -14.983 4.812 -6.049 1.00 33.23 O ATOM 736 CB LYS A 42 -17.303 2.999 -4.455 1.00 13.31 C ATOM 737 CG LYS A 42 -17.834 3.435 -3.088 1.00 45.50 C ATOM 738 CD LYS A 42 -17.720 2.300 -2.068 1.00 43.25 C ATOM 739 CE LYS A 42 -19.062 1.584 -1.895 1.00 4.32 C ATOM 740 NZ LYS A 42 -19.166 0.999 -0.539 1.00 23.20 N ATOM 0 H LYS A 42 -15.350 3.387 -2.488 1.00 64.40 H new ATOM 0 HA LYS A 42 -15.458 2.473 -5.323 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -17.763 3.603 -5.237 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -17.585 1.963 -4.645 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -17.275 4.302 -2.736 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -18.876 3.743 -3.180 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -16.962 1.587 -2.394 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -17.390 2.699 -1.109 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -19.879 2.286 -2.058 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -19.162 0.799 -2.645 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -19.690 0.102 -0.587 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -18.213 0.823 -0.163 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -19.668 1.661 0.087 1.00 23.20 H new ATOM 753 N GLN A 43 -15.288 5.412 -3.890 1.00 63.45 N ATOM 754 CA GLN A 43 -14.862 6.786 -4.095 1.00 43.21 C ATOM 755 C GLN A 43 -13.628 6.829 -4.999 1.00 65.15 C ATOM 756 O GLN A 43 -13.740 7.093 -6.195 1.00 23.23 O ATOM 757 CB GLN A 43 -14.587 7.481 -2.760 1.00 65.43 C ATOM 758 CG GLN A 43 -15.859 7.560 -1.912 1.00 61.32 C ATOM 759 CD GLN A 43 -15.958 6.369 -0.956 1.00 0.41 C ATOM 760 OE1 GLN A 43 -14.973 5.739 -0.606 1.00 34.35 O ATOM 761 NE2 GLN A 43 -17.196 6.098 -0.557 1.00 61.50 N ATOM 0 H GLN A 43 -15.559 5.188 -2.932 1.00 63.45 H new ATOM 0 HA GLN A 43 -15.670 7.326 -4.588 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -13.815 6.938 -2.215 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -14.203 8.485 -2.941 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -15.863 8.489 -1.342 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -16.733 7.582 -2.563 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -17.975 6.667 -0.889 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -17.367 5.321 0.082 1.00 61.50 H new ATOM 770 N LEU A 44 -12.480 6.568 -4.392 1.00 70.13 N ATOM 771 CA LEU A 44 -11.226 6.574 -5.127 1.00 74.32 C ATOM 772 C LEU A 44 -11.332 5.615 -6.315 1.00 11.20 C ATOM 773 O LEU A 44 -11.983 4.576 -6.223 1.00 43.35 O ATOM 774 CB LEU A 44 -10.055 6.266 -4.192 1.00 23.41 C ATOM 775 CG LEU A 44 -9.674 7.374 -3.208 1.00 52.12 C ATOM 776 CD1 LEU A 44 -9.018 8.550 -3.933 1.00 50.33 C ATOM 777 CD2 LEU A 44 -10.884 7.813 -2.381 1.00 10.25 C ATOM 0 H LEU A 44 -12.391 6.351 -3.399 1.00 70.13 H new ATOM 0 HA LEU A 44 -11.027 7.566 -5.533 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.297 5.369 -3.622 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.182 6.032 -4.801 1.00 23.41 H new ATOM 0 HG LEU A 44 -8.937 6.974 -2.512 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -8.757 9.323 -3.210 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -8.116 8.208 -4.440 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -9.713 8.959 -4.667 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -10.586 8.601 -1.690 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -11.662 8.189 -3.046 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -11.268 6.962 -1.818 1.00 10.25 H new ATOM 789 N PRO A 45 -10.667 6.011 -7.434 1.00 31.11 N ATOM 790 CA PRO A 45 -10.680 5.199 -8.639 1.00 72.02 C ATOM 791 C PRO A 45 -9.771 3.978 -8.487 1.00 4.31 C ATOM 792 O PRO A 45 -8.973 3.906 -7.554 1.00 31.03 O ATOM 793 CB PRO A 45 -10.235 6.136 -9.750 1.00 14.10 C ATOM 794 CG PRO A 45 -9.546 7.302 -9.059 1.00 24.31 C ATOM 795 CD PRO A 45 -9.886 7.236 -7.579 1.00 12.34 C ATOM 0 HA PRO A 45 -11.664 4.785 -8.856 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -9.555 5.632 -10.437 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -11.087 6.478 -10.338 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.467 7.248 -9.205 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -9.879 8.248 -9.485 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -8.985 7.206 -6.966 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.457 8.110 -7.264 1.00 12.34 H new ATOM 803 N VAL A 46 -9.923 3.048 -9.418 1.00 55.41 N ATOM 804 CA VAL A 46 -9.126 1.834 -9.400 1.00 62.40 C ATOM 805 C VAL A 46 -7.702 2.156 -9.857 1.00 24.11 C ATOM 806 O VAL A 46 -7.478 2.479 -11.023 1.00 23.43 O ATOM 807 CB VAL A 46 -9.797 0.753 -10.252 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.997 -0.550 -10.215 1.00 21.34 C ATOM 809 CG2 VAL A 46 -11.243 0.524 -9.807 1.00 2.32 C ATOM 0 H VAL A 46 -10.587 3.111 -10.190 1.00 55.41 H new ATOM 0 HA VAL A 46 -9.060 1.437 -8.387 1.00 62.40 H new ATOM 0 HB VAL A 46 -9.816 1.103 -11.284 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -9.496 -1.301 -10.828 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -7.994 -0.372 -10.603 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.930 -0.907 -9.187 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -11.697 -0.248 -10.428 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -11.257 0.206 -8.765 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -11.807 1.451 -9.911 1.00 2.32 H new ATOM 819 N LEU A 47 -6.776 2.057 -8.915 1.00 70.21 N ATOM 820 CA LEU A 47 -5.380 2.335 -9.206 1.00 52.54 C ATOM 821 C LEU A 47 -5.025 1.760 -10.579 1.00 0.41 C ATOM 822 O LEU A 47 -5.585 0.747 -10.994 1.00 44.05 O ATOM 823 CB LEU A 47 -4.484 1.824 -8.076 1.00 21.34 C ATOM 824 CG LEU A 47 -3.365 2.766 -7.628 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.517 3.216 -8.819 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.929 3.954 -6.845 1.00 2.31 C ATOM 0 H LEU A 47 -6.965 1.788 -7.949 1.00 70.21 H new ATOM 0 HA LEU A 47 -5.209 3.410 -9.256 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -5.112 1.602 -7.213 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -4.034 0.883 -8.393 1.00 21.34 H new ATOM 0 HG LEU A 47 -2.707 2.218 -6.953 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.729 3.885 -8.473 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -2.069 2.345 -9.297 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -3.148 3.740 -9.537 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -3.113 4.608 -6.538 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.622 4.510 -7.477 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -4.455 3.591 -5.962 1.00 2.31 H new ATOM 838 N ASP A 48 -4.098 2.432 -11.245 1.00 34.23 N ATOM 839 CA ASP A 48 -3.662 2.000 -12.562 1.00 65.12 C ATOM 840 C ASP A 48 -3.211 0.539 -12.493 1.00 61.25 C ATOM 841 O ASP A 48 -3.536 -0.257 -13.371 1.00 1.55 O ATOM 842 CB ASP A 48 -2.479 2.838 -13.054 1.00 32.20 C ATOM 843 CG ASP A 48 -1.881 2.391 -14.389 1.00 54.14 C ATOM 844 OD1 ASP A 48 -2.434 1.519 -15.077 1.00 11.32 O ATOM 845 OD2 ASP A 48 -0.786 2.986 -14.721 1.00 33.14 O ATOM 0 H ASP A 48 -3.637 3.273 -10.897 1.00 34.23 H new ATOM 0 HA ASP A 48 -4.499 2.120 -13.250 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -2.801 3.875 -13.147 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -1.696 2.814 -12.296 1.00 32.20 H new ATOM 851 N LYS A 49 -2.467 0.233 -11.440 1.00 34.30 N ATOM 852 CA LYS A 49 -1.968 -1.116 -11.243 1.00 13.11 C ATOM 853 C LYS A 49 -1.998 -1.455 -9.751 1.00 55.44 C ATOM 854 O LYS A 49 -2.483 -0.667 -8.942 1.00 64.03 O ATOM 855 CB LYS A 49 -0.586 -1.275 -11.882 1.00 53.23 C ATOM 856 CG LYS A 49 0.365 -0.170 -11.414 1.00 52.12 C ATOM 857 CD LYS A 49 0.486 0.931 -12.468 1.00 15.23 C ATOM 858 CE LYS A 49 1.277 2.123 -11.926 1.00 51.44 C ATOM 859 NZ LYS A 49 0.369 3.100 -11.284 1.00 4.25 N ATOM 0 H LYS A 49 -2.198 0.897 -10.714 1.00 34.30 H new ATOM 0 HA LYS A 49 -2.612 -1.837 -11.747 1.00 13.11 H new ATOM 0 HB2 LYS A 49 -0.172 -2.250 -11.624 1.00 53.23 H new ATOM 0 HB3 LYS A 49 -0.678 -1.245 -12.968 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.002 0.255 -10.479 1.00 52.12 H new ATOM 0 HG3 LYS A 49 1.349 -0.594 -11.211 1.00 52.12 H new ATOM 0 HD2 LYS A 49 0.979 0.536 -13.357 1.00 15.23 H new ATOM 0 HD3 LYS A 49 -0.508 1.258 -12.774 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.018 1.778 -11.205 1.00 51.44 H new ATOM 0 HE3 LYS A 49 1.823 2.604 -12.738 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 0.791 3.433 -10.394 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 0.222 3.908 -11.922 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 -0.545 2.646 -11.085 1.00 4.25 H new ATOM 872 N THR A 50 -1.471 -2.629 -9.433 1.00 62.40 N ATOM 873 CA THR A 50 -1.432 -3.082 -8.053 1.00 12.42 C ATOM 874 C THR A 50 0.015 -3.200 -7.572 1.00 13.32 C ATOM 875 O THR A 50 0.303 -2.984 -6.395 1.00 13.53 O ATOM 876 CB THR A 50 -2.212 -4.394 -7.963 1.00 64.23 C ATOM 877 OG1 THR A 50 -3.420 -4.129 -8.670 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.674 -4.705 -6.538 1.00 4.14 C ATOM 0 H THR A 50 -1.068 -3.280 -10.107 1.00 62.40 H new ATOM 0 HA THR A 50 -1.905 -2.361 -7.386 1.00 12.42 H new ATOM 0 HB THR A 50 -1.590 -5.211 -8.329 1.00 64.23 H new ATOM 0 HG1 THR A 50 -4.085 -4.815 -8.451 1.00 33.22 H new ATOM 0 HG21 THR A 50 -3.223 -5.647 -6.531 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.806 -4.786 -5.884 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.323 -3.904 -6.183 1.00 4.14 H new ATOM 886 N LYS A 51 0.890 -3.544 -8.507 1.00 63.11 N ATOM 887 CA LYS A 51 2.301 -3.695 -8.193 1.00 2.24 C ATOM 888 C LYS A 51 2.978 -2.323 -8.240 1.00 2.53 C ATOM 889 O LYS A 51 2.810 -1.577 -9.202 1.00 22.21 O ATOM 890 CB LYS A 51 2.946 -4.731 -9.114 1.00 62.34 C ATOM 891 CG LYS A 51 2.212 -6.072 -9.032 1.00 12.21 C ATOM 892 CD LYS A 51 3.195 -7.241 -9.114 1.00 14.34 C ATOM 893 CE LYS A 51 3.155 -7.894 -10.497 1.00 70.11 C ATOM 894 NZ LYS A 51 1.807 -8.442 -10.772 1.00 74.50 N ATOM 0 H LYS A 51 0.649 -3.722 -9.482 1.00 63.11 H new ATOM 0 HA LYS A 51 2.428 -4.080 -7.181 1.00 2.24 H new ATOM 0 HB2 LYS A 51 2.933 -4.368 -10.142 1.00 62.34 H new ATOM 0 HB3 LYS A 51 3.992 -4.867 -8.838 1.00 62.34 H new ATOM 0 HG2 LYS A 51 1.652 -6.128 -8.098 1.00 12.21 H new ATOM 0 HG3 LYS A 51 1.487 -6.144 -9.843 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.204 -6.888 -8.904 1.00 14.34 H new ATOM 0 HD3 LYS A 51 2.951 -7.981 -8.351 1.00 14.34 H new ATOM 0 HE2 LYS A 51 3.419 -7.161 -11.260 1.00 70.11 H new ATOM 0 HE3 LYS A 51 3.896 -8.691 -10.551 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 1.890 -9.437 -11.065 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 1.225 -8.381 -9.912 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 1.358 -7.894 -11.533 1.00 74.50 H new ATOM 907 N PHE A 52 3.729 -2.034 -7.188 1.00 55.52 N ATOM 908 CA PHE A 52 4.433 -0.767 -7.096 1.00 12.53 C ATOM 909 C PHE A 52 5.827 -0.955 -6.496 1.00 23.41 C ATOM 910 O PHE A 52 5.989 -1.667 -5.505 1.00 20.35 O ATOM 911 CB PHE A 52 3.612 0.135 -6.174 1.00 64.54 C ATOM 912 CG PHE A 52 2.174 0.363 -6.645 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.890 1.390 -7.491 1.00 50.44 C ATOM 914 CD2 PHE A 52 1.179 -0.462 -6.220 1.00 55.41 C ATOM 915 CE1 PHE A 52 0.556 1.602 -7.928 1.00 5.33 C ATOM 916 CE2 PHE A 52 -0.155 -0.250 -6.658 1.00 50.35 C ATOM 917 CZ PHE A 52 -0.438 0.777 -7.502 1.00 13.42 C ATOM 0 H PHE A 52 3.865 -2.656 -6.391 1.00 55.52 H new ATOM 0 HA PHE A 52 4.550 -0.335 -8.090 1.00 12.53 H new ATOM 0 HB2 PHE A 52 3.591 -0.305 -5.177 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.112 1.100 -6.087 1.00 64.54 H new ATOM 0 HD1 PHE A 52 2.680 2.044 -7.830 1.00 50.44 H new ATOM 0 HD2 PHE A 52 1.404 -1.278 -5.549 1.00 55.41 H new ATOM 0 HE1 PHE A 52 0.330 2.418 -8.598 1.00 5.33 H new ATOM 0 HE2 PHE A 52 -0.945 -0.905 -6.320 1.00 50.35 H new ATOM 0 HZ PHE A 52 -1.453 0.938 -7.835 1.00 13.42 H new ATOM 927 N LEU A 53 6.799 -0.305 -7.120 1.00 0.05 N ATOM 928 CA LEU A 53 8.174 -0.392 -6.658 1.00 15.10 C ATOM 929 C LEU A 53 8.547 0.902 -5.933 1.00 53.33 C ATOM 930 O LEU A 53 8.788 1.928 -6.568 1.00 23.21 O ATOM 931 CB LEU A 53 9.108 -0.736 -7.821 1.00 22.22 C ATOM 932 CG LEU A 53 9.112 -2.200 -8.267 1.00 23.31 C ATOM 933 CD1 LEU A 53 9.969 -2.389 -9.520 1.00 34.22 C ATOM 934 CD2 LEU A 53 9.554 -3.119 -7.127 1.00 70.04 C ATOM 0 H LEU A 53 6.661 0.284 -7.941 1.00 0.05 H new ATOM 0 HA LEU A 53 8.284 -1.204 -5.939 1.00 15.10 H new ATOM 0 HB2 LEU A 53 8.835 -0.117 -8.676 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.124 -0.460 -7.539 1.00 22.22 H new ATOM 0 HG LEU A 53 8.092 -2.480 -8.529 1.00 23.31 H new ATOM 0 HD11 LEU A 53 9.955 -3.438 -9.816 1.00 34.22 H new ATOM 0 HD12 LEU A 53 9.569 -1.778 -10.330 1.00 34.22 H new ATOM 0 HD13 LEU A 53 10.994 -2.085 -9.309 1.00 34.22 H new ATOM 0 HD21 LEU A 53 9.548 -4.153 -7.470 1.00 70.04 H new ATOM 0 HD22 LEU A 53 10.561 -2.848 -6.810 1.00 70.04 H new ATOM 0 HD23 LEU A 53 8.868 -3.012 -6.287 1.00 70.04 H new ATOM 946 N VAL A 54 8.584 0.812 -4.611 1.00 12.25 N ATOM 947 CA VAL A 54 8.923 1.963 -3.792 1.00 54.11 C ATOM 948 C VAL A 54 10.442 2.034 -3.624 1.00 53.14 C ATOM 949 O VAL A 54 11.104 1.005 -3.491 1.00 2.34 O ATOM 950 CB VAL A 54 8.177 1.894 -2.457 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.043 3.284 -1.833 1.00 52.41 C ATOM 952 CG2 VAL A 54 6.807 1.235 -2.629 1.00 33.12 C ATOM 0 H VAL A 54 8.385 -0.040 -4.087 1.00 12.25 H new ATOM 0 HA VAL A 54 8.606 2.885 -4.279 1.00 54.11 H new ATOM 0 HB VAL A 54 8.762 1.276 -1.776 1.00 50.23 H new ATOM 0 HG11 VAL A 54 7.509 3.208 -0.886 1.00 52.41 H new ATOM 0 HG12 VAL A 54 9.035 3.702 -1.658 1.00 52.41 H new ATOM 0 HG13 VAL A 54 7.489 3.935 -2.510 1.00 52.41 H new ATOM 0 HG21 VAL A 54 6.297 1.198 -1.666 1.00 33.12 H new ATOM 0 HG22 VAL A 54 6.210 1.815 -3.333 1.00 33.12 H new ATOM 0 HG23 VAL A 54 6.936 0.222 -3.010 1.00 33.12 H new ATOM 962 N PRO A 55 10.964 3.289 -3.636 1.00 45.33 N ATOM 963 CA PRO A 55 12.393 3.508 -3.487 1.00 0.21 C ATOM 964 C PRO A 55 12.830 3.304 -2.035 1.00 50.22 C ATOM 965 O PRO A 55 12.208 3.832 -1.115 1.00 54.10 O ATOM 966 CB PRO A 55 12.629 4.925 -3.984 1.00 72.21 C ATOM 967 CG PRO A 55 11.270 5.607 -3.956 1.00 64.33 C ATOM 968 CD PRO A 55 10.211 4.531 -3.792 1.00 22.13 C ATOM 0 HA PRO A 55 12.989 2.796 -4.058 1.00 0.21 H new ATOM 0 HB2 PRO A 55 13.342 5.449 -3.347 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.044 4.922 -4.992 1.00 72.21 H new ATOM 0 HG2 PRO A 55 11.218 6.321 -3.134 1.00 64.33 H new ATOM 0 HG3 PRO A 55 11.105 6.167 -4.876 1.00 64.33 H new ATOM 0 HD2 PRO A 55 9.582 4.724 -2.923 1.00 22.13 H new ATOM 0 HD3 PRO A 55 9.552 4.488 -4.659 1.00 22.13 H new ATOM 976 N ASP A 56 13.897 2.535 -1.875 1.00 15.23 N ATOM 977 CA ASP A 56 14.426 2.254 -0.551 1.00 24.22 C ATOM 978 C ASP A 56 15.417 3.352 -0.159 1.00 33.22 C ATOM 979 O ASP A 56 16.491 3.064 0.366 1.00 24.04 O ATOM 980 CB ASP A 56 15.169 0.916 -0.527 1.00 14.44 C ATOM 981 CG ASP A 56 16.582 0.951 -1.112 1.00 63.42 C ATOM 982 OD1 ASP A 56 17.442 0.134 -0.751 1.00 73.21 O ATOM 983 OD2 ASP A 56 16.788 1.878 -1.985 1.00 53.21 O ATOM 0 H ASP A 56 14.410 2.098 -2.641 1.00 15.23 H new ATOM 0 HA ASP A 56 13.588 2.214 0.145 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.227 0.568 0.504 1.00 14.44 H new ATOM 0 HB3 ASP A 56 14.582 0.181 -1.078 1.00 14.44 H new ATOM 989 N HIS A 57 15.020 4.587 -0.428 1.00 42.54 N ATOM 990 CA HIS A 57 15.860 5.729 -0.109 1.00 33.12 C ATOM 991 C HIS A 57 14.988 6.880 0.397 1.00 34.15 C ATOM 992 O HIS A 57 15.439 8.024 0.459 1.00 74.42 O ATOM 993 CB HIS A 57 16.722 6.121 -1.311 1.00 42.14 C ATOM 994 CG HIS A 57 16.030 7.042 -2.289 1.00 61.13 C ATOM 995 ND1 HIS A 57 15.451 6.591 -3.462 1.00 2.30 N ATOM 996 CD2 HIS A 57 15.831 8.391 -2.254 1.00 44.01 C ATOM 997 CE1 HIS A 57 14.930 7.630 -4.097 1.00 52.24 C ATOM 998 NE2 HIS A 57 15.168 8.744 -3.348 1.00 2.34 N ATOM 0 H HIS A 57 14.128 4.822 -0.863 1.00 42.54 H new ATOM 0 HA HIS A 57 16.553 5.465 0.690 1.00 33.12 H new ATOM 0 HB2 HIS A 57 17.630 6.605 -0.952 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.030 5.216 -1.835 1.00 42.14 H new ATOM 0 HD2 HIS A 57 16.157 9.058 -1.470 1.00 44.01 H new ATOM 0 HE1 HIS A 57 14.408 7.600 -5.042 1.00 52.24 H new ATOM 0 HE2 HIS A 57 14.883 9.693 -3.589 1.00 2.34 H new ATOM 1006 N VAL A 58 13.757 6.540 0.745 1.00 51.30 N ATOM 1007 CA VAL A 58 12.818 7.531 1.244 1.00 21.42 C ATOM 1008 C VAL A 58 12.025 6.935 2.408 1.00 52.34 C ATOM 1009 O VAL A 58 12.415 5.914 2.972 1.00 3.12 O ATOM 1010 CB VAL A 58 11.926 8.026 0.103 1.00 42.54 C ATOM 1011 CG1 VAL A 58 12.755 8.355 -1.139 1.00 63.40 C ATOM 1012 CG2 VAL A 58 10.834 7.005 -0.222 1.00 52.14 C ATOM 0 H VAL A 58 13.387 5.591 0.692 1.00 51.30 H new ATOM 0 HA VAL A 58 13.349 8.403 1.626 1.00 21.42 H new ATOM 0 HB VAL A 58 11.439 8.944 0.433 1.00 42.54 H new ATOM 0 HG11 VAL A 58 12.096 8.704 -1.934 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.478 9.134 -0.898 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.283 7.461 -1.471 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.214 7.382 -1.036 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.294 6.063 -0.522 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.214 6.842 0.660 1.00 52.14 H new ATOM 1022 N ASN A 59 10.925 7.599 2.734 1.00 3.10 N ATOM 1023 CA ASN A 59 10.075 7.148 3.822 1.00 53.34 C ATOM 1024 C ASN A 59 8.738 6.667 3.253 1.00 32.55 C ATOM 1025 O ASN A 59 8.386 6.997 2.121 1.00 53.32 O ATOM 1026 CB ASN A 59 9.787 8.285 4.804 1.00 31.55 C ATOM 1027 CG ASN A 59 10.649 9.509 4.493 1.00 54.00 C ATOM 1028 OD1 ASN A 59 11.705 9.720 5.066 1.00 22.23 O ATOM 1029 ND2 ASN A 59 10.141 10.303 3.554 1.00 14.31 N ATOM 0 H ASN A 59 10.604 8.445 2.264 1.00 3.10 H new ATOM 0 HA ASN A 59 10.594 6.343 4.343 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.732 8.556 4.753 1.00 31.55 H new ATOM 0 HB3 ASN A 59 9.981 7.949 5.822 1.00 31.55 H new ATOM 0 HD21 ASN A 59 10.641 11.147 3.274 1.00 14.31 H new ATOM 0 HD22 ASN A 59 9.251 10.068 3.114 1.00 14.31 H new ATOM 1036 N MET A 60 8.030 5.893 4.062 1.00 53.42 N ATOM 1037 CA MET A 60 6.740 5.363 3.653 1.00 63.50 C ATOM 1038 C MET A 60 5.786 6.491 3.254 1.00 72.03 C ATOM 1039 O MET A 60 4.811 6.260 2.539 1.00 33.53 O ATOM 1040 CB MET A 60 6.129 4.561 4.804 1.00 54.13 C ATOM 1041 CG MET A 60 5.344 5.471 5.750 1.00 71.53 C ATOM 1042 SD MET A 60 3.669 5.661 5.164 1.00 50.24 S ATOM 1043 CE MET A 60 3.195 3.945 5.017 1.00 24.12 C ATOM 0 H MET A 60 8.325 5.620 4.999 1.00 53.42 H new ATOM 0 HA MET A 60 6.891 4.717 2.788 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.470 3.790 4.405 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.919 4.051 5.356 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.341 5.049 6.755 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.828 6.446 5.815 1.00 71.53 H new ATOM 0 HE1 MET A 60 2.137 3.838 5.258 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.371 3.605 3.996 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.787 3.344 5.707 1.00 24.12 H new ATOM 1053 N SER A 61 6.100 7.686 3.732 1.00 31.15 N ATOM 1054 CA SER A 61 5.282 8.849 3.433 1.00 60.52 C ATOM 1055 C SER A 61 5.287 9.120 1.927 1.00 5.42 C ATOM 1056 O SER A 61 4.229 9.225 1.309 1.00 42.35 O ATOM 1057 CB SER A 61 5.777 10.080 4.196 1.00 24.14 C ATOM 1058 OG SER A 61 6.210 11.114 3.317 1.00 33.42 O ATOM 0 H SER A 61 6.909 7.874 4.324 1.00 31.15 H new ATOM 0 HA SER A 61 4.261 8.641 3.754 1.00 60.52 H new ATOM 0 HB2 SER A 61 4.977 10.457 4.833 1.00 24.14 H new ATOM 0 HB3 SER A 61 6.599 9.794 4.852 1.00 24.14 H new ATOM 0 HG SER A 61 6.517 11.883 3.842 1.00 33.42 H new ATOM 1064 N GLU A 62 6.490 9.226 1.382 1.00 43.34 N ATOM 1065 CA GLU A 62 6.647 9.483 -0.040 1.00 62.30 C ATOM 1066 C GLU A 62 5.652 8.643 -0.843 1.00 2.22 C ATOM 1067 O GLU A 62 4.870 9.182 -1.626 1.00 1.22 O ATOM 1068 CB GLU A 62 8.084 9.211 -0.490 1.00 23.32 C ATOM 1069 CG GLU A 62 8.951 10.463 -0.339 1.00 33.21 C ATOM 1070 CD GLU A 62 8.343 11.646 -1.095 1.00 21.13 C ATOM 1071 OE1 GLU A 62 8.555 12.805 -0.707 1.00 65.32 O ATOM 1072 OE2 GLU A 62 7.628 11.329 -2.122 1.00 22.24 O ATOM 0 H GLU A 62 7.365 9.139 1.899 1.00 43.34 H new ATOM 0 HA GLU A 62 6.436 10.536 -0.226 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.506 8.398 0.101 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.088 8.885 -1.530 1.00 23.32 H new ATOM 0 HG2 GLU A 62 9.052 10.715 0.717 1.00 33.21 H new ATOM 0 HG3 GLU A 62 9.954 10.263 -0.716 1.00 33.21 H new ATOM 1080 N LEU A 63 5.714 7.338 -0.623 1.00 75.35 N ATOM 1081 CA LEU A 63 4.829 6.419 -1.317 1.00 71.31 C ATOM 1082 C LEU A 63 3.427 7.027 -1.393 1.00 34.30 C ATOM 1083 O LEU A 63 2.798 7.018 -2.450 1.00 74.31 O ATOM 1084 CB LEU A 63 4.866 5.039 -0.659 1.00 53.52 C ATOM 1085 CG LEU A 63 4.281 3.888 -1.480 1.00 3.21 C ATOM 1086 CD1 LEU A 63 3.877 2.720 -0.577 1.00 21.14 C ATOM 1087 CD2 LEU A 63 3.118 4.369 -2.349 1.00 23.34 C ATOM 0 H LEU A 63 6.364 6.895 0.027 1.00 75.35 H new ATOM 0 HA LEU A 63 5.167 6.266 -2.342 1.00 71.31 H new ATOM 0 HB2 LEU A 63 5.902 4.799 -0.422 1.00 53.52 H new ATOM 0 HB3 LEU A 63 4.327 5.095 0.287 1.00 53.52 H new ATOM 0 HG LEU A 63 5.056 3.522 -2.154 1.00 3.21 H new ATOM 0 HD11 LEU A 63 3.464 1.915 -1.186 1.00 21.14 H new ATOM 0 HD12 LEU A 63 4.753 2.356 -0.040 1.00 21.14 H new ATOM 0 HD13 LEU A 63 3.126 3.056 0.138 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.721 3.531 -2.922 1.00 23.34 H new ATOM 0 HD22 LEU A 63 2.333 4.778 -1.713 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.470 5.142 -3.033 1.00 23.34 H new ATOM 1099 N ILE A 64 2.978 7.541 -0.258 1.00 23.04 N ATOM 1100 CA ILE A 64 1.661 8.152 -0.182 1.00 61.52 C ATOM 1101 C ILE A 64 1.535 9.217 -1.272 1.00 62.30 C ATOM 1102 O ILE A 64 0.539 9.257 -1.994 1.00 14.00 O ATOM 1103 CB ILE A 64 1.398 8.682 1.229 1.00 21.21 C ATOM 1104 CG1 ILE A 64 1.788 7.647 2.286 1.00 50.20 C ATOM 1105 CG2 ILE A 64 -0.055 9.138 1.382 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.289 6.254 1.898 1.00 54.44 C ATOM 0 H ILE A 64 3.502 7.547 0.617 1.00 23.04 H new ATOM 0 HA ILE A 64 0.885 7.410 -0.369 1.00 61.52 H new ATOM 0 HB ILE A 64 2.029 9.557 1.387 1.00 21.21 H new ATOM 0 HG12 ILE A 64 2.872 7.630 2.401 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.369 7.932 3.251 1.00 50.20 H new ATOM 0 HG21 ILE A 64 -0.215 9.510 2.394 1.00 30.13 H new ATOM 0 HG22 ILE A 64 -0.264 9.933 0.666 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -0.722 8.296 1.195 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.579 5.537 2.666 1.00 54.44 H new ATOM 0 HD12 ILE A 64 0.203 6.269 1.807 1.00 54.44 H new ATOM 0 HD13 ILE A 64 1.729 5.963 0.944 1.00 54.44 H new ATOM 1118 N LYS A 65 2.557 10.055 -1.358 1.00 65.21 N ATOM 1119 CA LYS A 65 2.574 11.117 -2.349 1.00 4.50 C ATOM 1120 C LYS A 65 2.546 10.503 -3.751 1.00 41.42 C ATOM 1121 O LYS A 65 2.056 11.122 -4.694 1.00 64.31 O ATOM 1122 CB LYS A 65 3.759 12.054 -2.112 1.00 50.41 C ATOM 1123 CG LYS A 65 3.822 12.501 -0.650 1.00 31.50 C ATOM 1124 CD LYS A 65 4.757 13.699 -0.482 1.00 14.42 C ATOM 1125 CE LYS A 65 4.491 14.421 0.842 1.00 43.24 C ATOM 1126 NZ LYS A 65 5.690 15.177 1.269 1.00 21.21 N ATOM 0 H LYS A 65 3.380 10.020 -0.757 1.00 65.21 H new ATOM 0 HA LYS A 65 1.683 11.738 -2.255 1.00 4.50 H new ATOM 0 HB2 LYS A 65 4.686 11.548 -2.381 1.00 50.41 H new ATOM 0 HB3 LYS A 65 3.672 12.927 -2.759 1.00 50.41 H new ATOM 0 HG2 LYS A 65 2.823 12.764 -0.303 1.00 31.50 H new ATOM 0 HG3 LYS A 65 4.168 11.675 -0.028 1.00 31.50 H new ATOM 0 HD2 LYS A 65 5.794 13.363 -0.516 1.00 14.42 H new ATOM 0 HD3 LYS A 65 4.619 14.392 -1.312 1.00 14.42 H new ATOM 0 HE2 LYS A 65 3.646 15.100 0.729 1.00 43.24 H new ATOM 0 HE3 LYS A 65 4.218 13.697 1.610 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 5.493 15.661 2.168 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 6.487 14.521 1.396 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 5.933 15.881 0.543 1.00 21.21 H new ATOM 1139 N ILE A 66 3.078 9.293 -3.842 1.00 54.04 N ATOM 1140 CA ILE A 66 3.121 8.589 -5.112 1.00 32.11 C ATOM 1141 C ILE A 66 1.709 8.133 -5.485 1.00 63.23 C ATOM 1142 O ILE A 66 1.191 8.507 -6.537 1.00 3.21 O ATOM 1143 CB ILE A 66 4.140 7.448 -5.057 1.00 32.41 C ATOM 1144 CG1 ILE A 66 5.475 7.932 -4.486 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.307 6.796 -6.431 1.00 33.32 C ATOM 1146 CD1 ILE A 66 6.349 8.546 -5.581 1.00 42.45 C ATOM 0 H ILE A 66 3.483 8.783 -3.057 1.00 54.04 H new ATOM 0 HA ILE A 66 3.462 9.254 -5.905 1.00 32.11 H new ATOM 0 HB ILE A 66 3.760 6.682 -4.381 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.294 8.669 -3.704 1.00 34.42 H new ATOM 0 HG13 ILE A 66 6.000 7.097 -4.022 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.036 5.989 -6.364 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.349 6.394 -6.762 1.00 33.32 H new ATOM 0 HG23 ILE A 66 4.654 7.541 -7.147 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.292 8.882 -5.149 1.00 42.45 H new ATOM 0 HD12 ILE A 66 6.548 7.799 -6.349 1.00 42.45 H new ATOM 0 HD13 ILE A 66 5.831 9.395 -6.026 1.00 42.45 H new ATOM 1158 N ILE A 67 1.126 7.335 -4.604 1.00 34.24 N ATOM 1159 CA ILE A 67 -0.216 6.826 -4.828 1.00 32.34 C ATOM 1160 C ILE A 67 -1.134 7.980 -5.235 1.00 73.40 C ATOM 1161 O ILE A 67 -1.676 7.988 -6.339 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.708 6.052 -3.603 1.00 45.44 C ATOM 1163 CG1 ILE A 67 -0.061 4.666 -3.534 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -2.235 5.973 -3.581 1.00 30.32 C ATOM 1165 CD1 ILE A 67 -0.351 3.863 -4.804 1.00 74.11 C ATOM 0 H ILE A 67 1.559 7.028 -3.733 1.00 34.24 H new ATOM 0 HA ILE A 67 -0.219 6.111 -5.650 1.00 32.34 H new ATOM 0 HB ILE A 67 -0.401 6.596 -2.710 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.016 4.769 -3.403 1.00 52.04 H new ATOM 0 HG13 ILE A 67 -0.438 4.127 -2.665 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.558 5.418 -2.700 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.651 6.980 -3.548 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -2.586 5.465 -4.479 1.00 30.32 H new ATOM 0 HD11 ILE A 67 0.120 2.883 -4.730 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -1.428 3.741 -4.919 1.00 74.11 H new ATOM 0 HD13 ILE A 67 0.049 4.393 -5.669 1.00 74.11 H new ATOM 1177 N ARG A 68 -1.280 8.928 -4.320 1.00 44.40 N ATOM 1178 CA ARG A 68 -2.122 10.086 -4.570 1.00 13.42 C ATOM 1179 C ARG A 68 -1.763 10.724 -5.912 1.00 51.22 C ATOM 1180 O ARG A 68 -2.639 11.196 -6.634 1.00 0.23 O ATOM 1181 CB ARG A 68 -1.970 11.127 -3.460 1.00 13.44 C ATOM 1182 CG ARG A 68 -0.658 11.900 -3.609 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.528 12.973 -2.527 1.00 24.23 C ATOM 1184 NE ARG A 68 -1.402 14.124 -2.847 1.00 63.13 N ATOM 1185 CZ ARG A 68 -2.692 14.223 -2.462 1.00 75.11 C ATOM 1186 NH1 ARG A 68 -3.268 13.241 -1.738 1.00 73.42 N ATOM 1187 NH2 ARG A 68 -3.380 15.297 -2.803 1.00 64.55 N ATOM 0 H ARG A 68 -0.830 8.918 -3.405 1.00 44.40 H new ATOM 0 HA ARG A 68 -3.157 9.745 -4.593 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.810 11.821 -3.490 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -1.998 10.634 -2.488 1.00 13.44 H new ATOM 0 HG2 ARG A 68 0.184 11.210 -3.545 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.615 12.365 -4.594 1.00 12.22 H new ATOM 0 HD2 ARG A 68 -0.801 12.558 -1.557 1.00 24.23 H new ATOM 0 HD3 ARG A 68 0.508 13.302 -2.453 1.00 24.23 H new ATOM 0 HE ARG A 68 -1.005 14.889 -3.392 1.00 63.13 H new ATOM 0 HH11 ARG A 68 -2.728 12.416 -1.477 1.00 73.42 H new ATOM 0 HH12 ARG A 68 -4.243 13.324 -1.451 1.00 73.42 H new ATOM 0 HH21 ARG A 68 -2.936 16.035 -3.349 1.00 64.55 H new ATOM 0 HH22 ARG A 68 -4.356 15.388 -2.521 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.471 10.720 -6.206 1.00 52.40 N ATOM 1201 CA ARG A 69 0.016 11.293 -7.450 1.00 45.24 C ATOM 1202 C ARG A 69 -0.426 10.437 -8.639 1.00 0.14 C ATOM 1203 O ARG A 69 -0.572 10.941 -9.751 1.00 4.20 O ATOM 1204 CB ARG A 69 1.543 11.401 -7.447 1.00 70.32 C ATOM 1205 CG ARG A 69 1.995 12.758 -6.904 1.00 44.21 C ATOM 1206 CD ARG A 69 1.847 13.849 -7.966 1.00 0.22 C ATOM 1207 NE ARG A 69 2.908 13.708 -8.988 1.00 10.40 N ATOM 1208 CZ ARG A 69 2.823 14.207 -10.240 1.00 73.23 C ATOM 1209 NH1 ARG A 69 1.724 14.884 -10.635 1.00 43.44 N ATOM 1210 NH2 ARG A 69 3.831 14.021 -11.072 1.00 11.44 N ATOM 0 H ARG A 69 0.254 10.329 -5.604 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.407 12.293 -7.542 1.00 45.24 H new ATOM 0 HB2 ARG A 69 1.967 10.602 -6.838 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.923 11.266 -8.460 1.00 70.32 H new ATOM 0 HG2 ARG A 69 1.404 13.018 -6.026 1.00 44.21 H new ATOM 0 HG3 ARG A 69 3.035 12.697 -6.582 1.00 44.21 H new ATOM 0 HD2 ARG A 69 0.866 13.779 -8.436 1.00 0.22 H new ATOM 0 HD3 ARG A 69 1.908 14.832 -7.500 1.00 0.22 H new ATOM 0 HE ARG A 69 3.756 13.203 -8.731 1.00 10.40 H new ATOM 0 HH11 ARG A 69 0.949 15.022 -9.986 1.00 43.44 H new ATOM 0 HH12 ARG A 69 1.668 15.258 -11.583 1.00 43.44 H new ATOM 0 HH21 ARG A 69 4.657 13.507 -10.765 1.00 11.44 H new ATOM 0 HH22 ARG A 69 3.784 14.391 -12.021 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.625 9.157 -8.362 1.00 44.14 N ATOM 1224 CA ARG A 70 -1.048 8.225 -9.395 1.00 12.55 C ATOM 1225 C ARG A 70 -2.546 8.378 -9.667 1.00 23.22 C ATOM 1226 O ARG A 70 -2.974 8.374 -10.821 1.00 5.20 O ATOM 1227 CB ARG A 70 -0.756 6.780 -8.985 1.00 25.13 C ATOM 1228 CG ARG A 70 0.702 6.617 -8.552 1.00 50.40 C ATOM 1229 CD ARG A 70 1.454 5.679 -9.498 1.00 24.25 C ATOM 1230 NE ARG A 70 2.220 6.468 -10.489 1.00 54.32 N ATOM 1231 CZ ARG A 70 2.900 5.929 -11.523 1.00 71.15 C ATOM 1232 NH1 ARG A 70 2.915 4.592 -11.711 1.00 51.00 N ATOM 1233 NH2 ARG A 70 3.552 6.728 -12.348 1.00 40.12 N ATOM 0 H ARG A 70 -0.501 8.743 -7.438 1.00 44.14 H new ATOM 0 HA ARG A 70 -0.486 8.455 -10.300 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -1.416 6.490 -8.168 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -0.968 6.112 -9.819 1.00 25.13 H new ATOM 0 HG2 ARG A 70 1.191 7.591 -8.535 1.00 50.40 H new ATOM 0 HG3 ARG A 70 0.741 6.223 -7.536 1.00 50.40 H new ATOM 0 HD2 ARG A 70 2.129 5.040 -8.929 1.00 24.25 H new ATOM 0 HD3 ARG A 70 0.749 5.023 -10.009 1.00 24.25 H new ATOM 0 HE ARG A 70 2.235 7.482 -10.384 1.00 54.32 H new ATOM 0 HH11 ARG A 70 2.410 3.981 -11.069 1.00 51.00 H new ATOM 0 HH12 ARG A 70 3.431 4.193 -12.495 1.00 51.00 H new ATOM 0 HH21 ARG A 70 3.537 7.737 -12.199 1.00 40.12 H new ATOM 0 HH22 ARG A 70 4.071 6.336 -13.134 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.301 8.511 -8.587 1.00 54.34 N ATOM 1247 CA LEU A 71 -4.742 8.664 -8.695 1.00 61.25 C ATOM 1248 C LEU A 71 -5.061 10.043 -9.279 1.00 45.53 C ATOM 1249 O LEU A 71 -6.191 10.300 -9.689 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.413 8.397 -7.346 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.320 6.962 -6.822 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -5.453 6.925 -5.299 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -6.347 6.061 -7.510 1.00 31.15 C ATOM 0 H LEU A 71 -2.942 8.516 -7.632 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.153 7.923 -9.381 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -4.971 9.063 -6.605 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.466 8.665 -7.427 1.00 11.24 H new ATOM 0 HG LEU A 71 -4.333 6.571 -7.068 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -5.383 5.894 -4.953 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -4.653 7.513 -4.850 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -6.417 7.341 -5.008 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -6.260 5.047 -7.120 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -7.351 6.440 -7.317 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -6.163 6.054 -8.584 1.00 31.15 H new ATOM 1265 N GLN A 72 -4.044 10.891 -9.297 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.202 12.236 -9.823 1.00 2.32 C ATOM 1267 C GLN A 72 -5.494 12.864 -9.297 1.00 41.52 C ATOM 1268 O GLN A 72 -6.292 13.389 -10.071 1.00 73.52 O ATOM 1269 CB GLN A 72 -4.177 12.233 -11.352 1.00 45.04 C ATOM 1270 CG GLN A 72 -5.306 11.368 -11.918 1.00 10.21 C ATOM 1271 CD GLN A 72 -5.415 11.532 -13.435 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -5.355 12.626 -13.973 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -5.579 10.387 -14.092 1.00 53.14 N ATOM 0 H GLN A 72 -3.108 10.673 -8.956 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.362 12.840 -9.480 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.275 13.253 -11.723 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -3.216 11.857 -11.703 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -5.124 10.321 -11.674 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -6.251 11.645 -11.450 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -5.621 9.506 -13.579 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -5.663 10.390 -15.109 1.00 53.14 H new ATOM 1282 N LEU A 73 -5.660 12.789 -7.985 1.00 45.22 N ATOM 1283 CA LEU A 73 -6.841 13.343 -7.346 1.00 53.22 C ATOM 1284 C LEU A 73 -6.601 14.822 -7.034 1.00 1.12 C ATOM 1285 O LEU A 73 -5.576 15.383 -7.420 1.00 24.52 O ATOM 1286 CB LEU A 73 -7.230 12.511 -6.123 1.00 60.03 C ATOM 1287 CG LEU A 73 -7.157 10.992 -6.294 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -6.778 10.309 -4.979 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.464 10.442 -6.870 1.00 40.04 C ATOM 0 H LEU A 73 -4.995 12.352 -7.346 1.00 45.22 H new ATOM 0 HA LEU A 73 -7.696 13.294 -8.020 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -6.582 12.795 -5.294 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -8.248 12.776 -5.837 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.368 10.767 -7.012 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -6.733 9.230 -5.129 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -5.804 10.670 -4.649 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.526 10.539 -4.221 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.386 9.361 -6.982 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.287 10.679 -6.195 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.651 10.895 -7.844 1.00 40.04 H new ATOM 1301 N ASN A 74 -7.562 15.410 -6.337 1.00 35.22 N ATOM 1302 CA ASN A 74 -7.467 16.812 -5.969 1.00 74.20 C ATOM 1303 C ASN A 74 -7.579 16.943 -4.448 1.00 51.40 C ATOM 1304 O ASN A 74 -7.648 15.942 -3.738 1.00 1.13 O ATOM 1305 CB ASN A 74 -8.601 17.625 -6.598 1.00 44.21 C ATOM 1306 CG ASN A 74 -8.156 19.062 -6.876 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -7.084 19.316 -7.400 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -9.035 19.984 -6.497 1.00 1.30 N ATOM 0 H ASN A 74 -8.410 14.941 -6.018 1.00 35.22 H new ATOM 0 HA ASN A 74 -6.510 17.191 -6.327 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -8.920 17.153 -7.527 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -9.463 17.630 -5.931 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -8.830 20.973 -6.639 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -9.915 19.703 -6.064 1.00 1.30 H new ATOM 1315 N ALA A 75 -7.594 18.188 -3.993 1.00 12.11 N ATOM 1316 CA ALA A 75 -7.696 18.463 -2.570 1.00 24.42 C ATOM 1317 C ALA A 75 -9.088 18.063 -2.076 1.00 44.43 C ATOM 1318 O ALA A 75 -9.246 17.642 -0.932 1.00 11.42 O ATOM 1319 CB ALA A 75 -7.388 19.940 -2.312 1.00 14.40 C ATOM 0 H ALA A 75 -7.537 19.017 -4.585 1.00 12.11 H new ATOM 0 HA ALA A 75 -6.967 17.875 -2.012 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -7.464 20.147 -1.244 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -6.378 20.166 -2.654 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -8.102 20.561 -2.854 1.00 14.40 H new ATOM 1325 N ASN A 76 -10.060 18.209 -2.964 1.00 1.33 N ATOM 1326 CA ASN A 76 -11.434 17.868 -2.633 1.00 24.12 C ATOM 1327 C ASN A 76 -11.530 16.365 -2.363 1.00 74.34 C ATOM 1328 O ASN A 76 -12.339 15.928 -1.546 1.00 61.04 O ATOM 1329 CB ASN A 76 -12.378 18.203 -3.789 1.00 13.50 C ATOM 1330 CG ASN A 76 -12.222 19.664 -4.218 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -12.201 19.840 -5.536 1.00 13.31 O flip ATOM 1332 ND2 ASN A 76 -12.129 20.569 -3.406 1.00 33.55 N flip ATOM 0 H ASN A 76 -9.924 18.559 -3.912 1.00 1.33 H new ATOM 0 HA ASN A 76 -11.723 18.444 -1.754 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -12.170 17.548 -4.635 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -13.409 18.017 -3.487 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -12.153 20.363 -2.407 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -12.028 21.532 -3.725 1.00 33.55 H new ATOM 1339 N GLN A 77 -10.695 15.615 -3.067 1.00 5.11 N ATOM 1340 CA GLN A 77 -10.675 14.170 -2.914 1.00 23.14 C ATOM 1341 C GLN A 77 -9.722 13.768 -1.786 1.00 75.30 C ATOM 1342 O GLN A 77 -8.560 14.169 -1.779 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.292 13.485 -4.227 1.00 64.02 C ATOM 1344 CG GLN A 77 -9.997 12.000 -4.005 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.274 11.233 -3.657 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -11.330 10.820 -2.394 1.00 32.13 O flip ATOM 1347 NE2 GLN A 77 -12.150 11.029 -4.481 1.00 2.12 N flip ATOM 0 H GLN A 77 -10.027 15.981 -3.745 1.00 5.11 H new ATOM 0 HA GLN A 77 -11.679 13.838 -2.649 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -11.102 13.595 -4.948 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -9.416 13.974 -4.654 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -9.548 11.577 -4.903 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -9.270 11.886 -3.201 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -12.043 11.374 -5.435 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -12.989 10.513 -4.216 1.00 2.12 H new ATOM 1356 N ALA A 78 -10.250 12.980 -0.862 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.461 12.519 0.268 1.00 43.41 C ATOM 1358 C ALA A 78 -8.945 11.108 -0.018 1.00 61.31 C ATOM 1359 O ALA A 78 -9.712 10.227 -0.403 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.307 12.583 1.542 1.00 61.34 C ATOM 0 H ALA A 78 -11.215 12.649 -0.872 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.595 13.163 0.419 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.715 12.237 2.390 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.625 13.611 1.717 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -11.184 11.946 1.428 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.646 10.936 0.179 1.00 75.54 N ATOM 1367 CA PHE A 79 -7.016 9.647 -0.053 1.00 50.43 C ATOM 1368 C PHE A 79 -6.151 9.236 1.140 1.00 43.02 C ATOM 1369 O PHE A 79 -5.419 10.056 1.692 1.00 63.34 O ATOM 1370 CB PHE A 79 -6.125 9.800 -1.286 1.00 54.22 C ATOM 1371 CG PHE A 79 -4.856 8.946 -1.247 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -4.949 7.589 -1.248 1.00 44.31 C ATOM 1373 CD2 PHE A 79 -3.635 9.544 -1.211 1.00 41.31 C ATOM 1374 CE1 PHE A 79 -3.772 6.796 -1.212 1.00 23.15 C ATOM 1375 CE2 PHE A 79 -2.457 8.751 -1.175 1.00 70.15 C ATOM 1376 CZ PHE A 79 -2.551 7.395 -1.176 1.00 20.55 C ATOM 0 H PHE A 79 -7.012 11.669 0.497 1.00 75.54 H new ATOM 0 HA PHE A 79 -7.778 8.881 -0.195 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.701 9.536 -2.173 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.842 10.848 -1.390 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -5.919 7.115 -1.276 1.00 44.31 H new ATOM 0 HD2 PHE A 79 -3.561 10.621 -1.210 1.00 41.31 H new ATOM 0 HE1 PHE A 79 -3.846 5.719 -1.213 1.00 23.15 H new ATOM 0 HE2 PHE A 79 -1.487 9.225 -1.147 1.00 70.15 H new ATOM 0 HZ PHE A 79 -1.655 6.792 -1.148 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.263 7.967 1.503 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.500 7.438 2.620 1.00 53.43 C ATOM 1388 C PHE A 80 -5.057 5.998 2.348 1.00 1.31 C ATOM 1389 O PHE A 80 -5.863 5.163 1.942 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.423 7.452 3.839 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.423 8.778 4.604 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -5.282 9.222 5.195 1.00 20.11 C ATOM 1393 CD2 PHE A 80 -7.565 9.512 4.692 1.00 23.51 C ATOM 1394 CE1 PHE A 80 -5.282 10.452 5.905 1.00 2.11 C ATOM 1395 CE2 PHE A 80 -7.565 10.742 5.401 1.00 25.31 C ATOM 1396 CZ PHE A 80 -6.423 11.186 5.992 1.00 53.22 C ATOM 0 H PHE A 80 -6.871 7.289 1.043 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.606 8.042 2.779 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.440 7.231 3.515 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -6.124 6.653 4.517 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.375 8.639 5.125 1.00 20.11 H new ATOM 0 HD2 PHE A 80 -8.471 9.159 4.223 1.00 23.51 H new ATOM 0 HE1 PHE A 80 -4.376 10.804 6.376 1.00 2.11 H new ATOM 0 HE2 PHE A 80 -8.471 11.325 5.471 1.00 25.31 H new ATOM 0 HZ PHE A 80 -6.423 12.122 6.531 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.776 5.754 2.582 1.00 13.24 N ATOM 1407 CA LEU A 81 -3.216 4.430 2.367 1.00 10.45 C ATOM 1408 C LEU A 81 -3.053 3.725 3.716 1.00 41.41 C ATOM 1409 O LEU A 81 -2.318 4.195 4.582 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.918 4.522 1.562 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.759 3.506 0.428 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -0.301 3.412 -0.023 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -2.324 2.142 0.830 1.00 32.24 C ATOM 0 H LEU A 81 -3.110 6.450 2.918 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.894 3.822 1.768 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.847 5.524 1.138 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -1.079 4.405 2.248 1.00 51.24 H new ATOM 0 HG LEU A 81 -2.339 3.855 -0.427 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -0.216 2.683 -0.829 1.00 70.10 H new ATOM 0 HD12 LEU A 81 0.034 4.387 -0.378 1.00 70.10 H new ATOM 0 HD13 LEU A 81 0.320 3.099 0.816 1.00 70.10 H new ATOM 0 HD21 LEU A 81 -2.198 1.439 0.006 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.793 1.772 1.707 1.00 32.24 H new ATOM 0 HD23 LEU A 81 -3.384 2.242 1.063 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.753 2.607 3.850 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.695 1.832 5.078 1.00 2.41 C ATOM 1427 C LEU A 82 -2.664 0.712 4.922 1.00 23.30 C ATOM 1428 O LEU A 82 -2.944 -0.312 4.302 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.090 1.335 5.462 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.121 2.416 5.792 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -5.435 3.723 6.195 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -7.096 2.616 4.630 1.00 2.33 C ATOM 0 H LEU A 82 -4.362 2.220 3.129 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.364 2.456 5.908 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.477 0.730 4.642 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -4.994 0.677 6.326 1.00 22.52 H new ATOM 0 HG LEU A 82 -6.705 2.081 6.649 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.190 4.475 6.424 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -4.814 3.552 7.075 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -4.811 4.075 5.373 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -7.818 3.390 4.890 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -6.544 2.919 3.740 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -7.621 1.682 4.431 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.493 0.947 5.495 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.419 -0.029 5.428 1.00 54.23 C ATOM 1446 C VAL A 83 -0.818 -1.276 6.219 1.00 0.12 C ATOM 1447 O VAL A 83 -0.905 -1.237 7.445 1.00 11.13 O ATOM 1448 CB VAL A 83 0.889 0.596 5.919 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.852 -0.476 6.430 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.539 1.440 4.821 1.00 25.30 C ATOM 0 H VAL A 83 -1.264 1.799 6.008 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.249 -0.338 4.397 1.00 54.23 H new ATOM 0 HB VAL A 83 0.652 1.257 6.753 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.773 -0.004 6.773 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.391 -1.015 7.258 1.00 75.33 H new ATOM 0 HG13 VAL A 83 2.080 -1.174 5.625 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.467 1.873 5.196 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.755 0.810 3.958 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.859 2.239 4.526 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.050 -2.354 5.484 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.438 -3.612 6.101 1.00 22.42 C ATOM 1462 C ASN A 84 -2.829 -3.462 6.721 1.00 41.23 C ATOM 1463 O ASN A 84 -3.192 -4.212 7.626 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.464 -4.003 7.214 1.00 70.52 C ATOM 1465 CG ASN A 84 0.384 -5.208 6.802 1.00 20.31 C ATOM 1466 OD1 ASN A 84 0.175 -5.823 5.769 1.00 32.51 O ATOM 1467 ND2 ASN A 84 1.350 -5.511 7.665 1.00 73.33 N ATOM 0 H ASN A 84 -0.977 -2.383 4.467 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.432 -4.382 5.330 1.00 22.42 H new ATOM 0 HB2 ASN A 84 0.186 -3.159 7.447 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.019 -4.238 8.122 1.00 70.52 H new ATOM 0 HD21 ASN A 84 1.970 -6.300 7.480 1.00 73.33 H new ATOM 0 HD22 ASN A 84 1.471 -4.955 8.511 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.568 -2.488 6.210 1.00 4.15 N ATOM 1475 CA GLY A 85 -4.911 -2.230 6.704 1.00 4.21 C ATOM 1476 C GLY A 85 -4.887 -1.234 7.864 1.00 61.15 C ATOM 1477 O GLY A 85 -5.919 -0.962 8.474 1.00 20.01 O ATOM 0 H GLY A 85 -3.263 -1.868 5.460 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.530 -1.839 5.897 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.367 -3.164 7.032 1.00 4.21 H new ATOM 1481 N HIS A 86 -3.698 -0.718 8.135 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.526 0.242 9.212 1.00 11.12 C ATOM 1483 C HIS A 86 -2.883 1.518 8.665 1.00 50.33 C ATOM 1484 O HIS A 86 -1.943 1.453 7.874 1.00 50.41 O ATOM 1485 CB HIS A 86 -2.732 -0.374 10.367 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.332 -0.798 9.993 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.326 0.109 9.707 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -0.782 -2.038 9.862 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.776 -0.568 9.418 1.00 52.33 C ATOM 1490 NE2 HIS A 86 0.491 -1.898 9.513 1.00 4.14 N ATOM 0 H HIS A 86 -2.843 -0.947 7.627 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.499 0.514 9.620 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -2.676 0.348 11.182 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.274 -1.241 10.745 1.00 31.02 H new ATOM 0 HD1 HIS A 86 -0.417 1.125 9.717 1.00 72.14 H new ATOM 0 HD2 HIS A 86 -1.295 -2.976 10.016 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.732 -0.141 9.154 1.00 52.33 H new ATOM 0 HE2 HIS A 86 1.148 -2.660 9.344 1.00 4.14 H new ATOM 1498 N SER A 87 -3.415 2.647 9.107 1.00 21.12 N ATOM 1499 CA SER A 87 -2.906 3.937 8.671 1.00 35.33 C ATOM 1500 C SER A 87 -1.419 4.055 9.016 1.00 12.03 C ATOM 1501 O SER A 87 -0.868 3.197 9.703 1.00 44.20 O ATOM 1502 CB SER A 87 -3.691 5.084 9.310 1.00 21.01 C ATOM 1503 OG SER A 87 -3.147 5.467 10.570 1.00 72.54 O ATOM 0 H SER A 87 -4.194 2.696 9.763 1.00 21.12 H new ATOM 0 HA SER A 87 -3.030 4.006 7.590 1.00 35.33 H new ATOM 0 HB2 SER A 87 -3.689 5.943 8.638 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.731 4.783 9.440 1.00 21.01 H new ATOM 0 HG SER A 87 -3.675 6.203 10.944 1.00 72.54 H new ATOM 1509 N MET A 88 -0.814 5.125 8.522 1.00 23.44 N ATOM 1510 CA MET A 88 0.597 5.367 8.768 1.00 70.11 C ATOM 1511 C MET A 88 0.828 6.787 9.288 1.00 34.21 C ATOM 1512 O MET A 88 1.957 7.274 9.293 1.00 30.24 O ATOM 1513 CB MET A 88 1.384 5.163 7.472 1.00 23.21 C ATOM 1514 CG MET A 88 0.654 5.790 6.283 1.00 12.04 C ATOM 1515 SD MET A 88 0.748 7.570 6.380 1.00 73.31 S ATOM 1516 CE MET A 88 -0.966 7.953 6.703 1.00 51.33 C ATOM 0 H MET A 88 -1.275 5.834 7.952 1.00 23.44 H new ATOM 0 HA MET A 88 0.940 4.663 9.526 1.00 70.11 H new ATOM 0 HB2 MET A 88 2.375 5.607 7.570 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.528 4.097 7.294 1.00 23.21 H new ATOM 0 HG2 MET A 88 1.098 5.444 5.349 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.389 5.472 6.277 1.00 12.04 H new ATOM 0 HE1 MET A 88 -1.339 8.630 5.935 1.00 51.33 H new ATOM 0 HE2 MET A 88 -1.552 7.034 6.692 1.00 51.33 H new ATOM 0 HE3 MET A 88 -1.055 8.428 7.680 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.261 7.411 9.713 1.00 62.44 N ATOM 1527 CA VAL A 89 -0.192 8.767 10.233 1.00 62.21 C ATOM 1528 C VAL A 89 1.060 8.912 11.101 1.00 24.13 C ATOM 1529 O VAL A 89 1.237 8.174 12.070 1.00 1.15 O ATOM 1530 CB VAL A 89 -1.481 9.105 10.982 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -1.388 10.484 11.640 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -2.694 9.022 10.053 1.00 72.21 C ATOM 0 H VAL A 89 -1.196 7.003 9.708 1.00 62.44 H new ATOM 0 HA VAL A 89 -0.107 9.486 9.418 1.00 62.21 H new ATOM 0 HB VAL A 89 -1.613 8.365 11.771 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -2.318 10.700 12.166 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -0.560 10.494 12.348 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -1.220 11.242 10.875 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -3.597 9.267 10.611 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -2.572 9.728 9.232 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -2.778 8.011 9.653 1.00 72.21 H new ATOM 1542 N SER A 90 1.896 9.867 10.724 1.00 43.15 N ATOM 1543 CA SER A 90 3.126 10.118 11.455 1.00 5.54 C ATOM 1544 C SER A 90 4.209 9.131 11.012 1.00 40.34 C ATOM 1545 O SER A 90 4.843 8.486 11.845 1.00 35.33 O ATOM 1546 CB SER A 90 2.899 10.015 12.965 1.00 14.32 C ATOM 1547 OG SER A 90 3.807 10.834 13.698 1.00 2.52 O ATOM 0 H SER A 90 1.746 10.477 9.921 1.00 43.15 H new ATOM 0 HA SER A 90 3.456 11.133 11.232 1.00 5.54 H new ATOM 0 HB2 SER A 90 1.876 10.309 13.199 1.00 14.32 H new ATOM 0 HB3 SER A 90 3.012 8.977 13.279 1.00 14.32 H new ATOM 0 HG SER A 90 3.629 10.742 14.657 1.00 2.52 H new ATOM 1553 N VAL A 91 4.387 9.046 9.703 1.00 73.43 N ATOM 1554 CA VAL A 91 5.382 8.150 9.139 1.00 23.12 C ATOM 1555 C VAL A 91 6.648 8.195 9.998 1.00 2.11 C ATOM 1556 O VAL A 91 7.448 9.121 9.882 1.00 34.04 O ATOM 1557 CB VAL A 91 5.641 8.509 7.674 1.00 41.51 C ATOM 1558 CG1 VAL A 91 5.522 10.018 7.451 1.00 4.23 C ATOM 1559 CG2 VAL A 91 7.007 7.993 7.217 1.00 15.53 C ATOM 0 H VAL A 91 3.859 9.583 9.016 1.00 73.43 H new ATOM 0 HA VAL A 91 5.018 7.122 9.148 1.00 23.12 H new ATOM 0 HB VAL A 91 4.878 8.020 7.068 1.00 41.51 H new ATOM 0 HG11 VAL A 91 5.711 10.247 6.402 1.00 4.23 H new ATOM 0 HG12 VAL A 91 4.518 10.347 7.720 1.00 4.23 H new ATOM 0 HG13 VAL A 91 6.252 10.536 8.072 1.00 4.23 H new ATOM 0 HG21 VAL A 91 7.166 8.261 6.173 1.00 15.53 H new ATOM 0 HG22 VAL A 91 7.789 8.441 7.830 1.00 15.53 H new ATOM 0 HG23 VAL A 91 7.040 6.909 7.322 1.00 15.53 H new ATOM 1569 N SER A 92 6.787 7.183 10.842 1.00 1.13 N ATOM 1570 CA SER A 92 7.941 7.094 11.721 1.00 51.40 C ATOM 1571 C SER A 92 8.793 5.881 11.346 1.00 74.42 C ATOM 1572 O SER A 92 9.523 5.348 12.180 1.00 22.05 O ATOM 1573 CB SER A 92 7.511 7.010 13.188 1.00 12.45 C ATOM 1574 OG SER A 92 8.502 7.538 14.065 1.00 11.51 O ATOM 0 H SER A 92 6.119 6.417 10.936 1.00 1.13 H new ATOM 0 HA SER A 92 8.536 7.999 11.597 1.00 51.40 H new ATOM 0 HB2 SER A 92 6.578 7.557 13.324 1.00 12.45 H new ATOM 0 HB3 SER A 92 7.313 5.970 13.449 1.00 12.45 H new ATOM 0 HG SER A 92 8.190 7.468 14.991 1.00 11.51 H new ATOM 1580 N THR A 93 8.672 5.479 10.089 1.00 61.14 N ATOM 1581 CA THR A 93 9.422 4.338 9.593 1.00 63.22 C ATOM 1582 C THR A 93 9.564 4.414 8.072 1.00 21.35 C ATOM 1583 O THR A 93 8.619 4.777 7.373 1.00 40.15 O ATOM 1584 CB THR A 93 8.722 3.066 10.076 1.00 14.31 C ATOM 1585 OG1 THR A 93 8.893 3.092 11.490 1.00 4.41 O ATOM 1586 CG2 THR A 93 9.450 1.794 9.635 1.00 72.01 C ATOM 0 H THR A 93 8.066 5.923 9.399 1.00 61.14 H new ATOM 0 HA THR A 93 10.440 4.334 9.983 1.00 63.22 H new ATOM 0 HB THR A 93 7.700 3.048 9.699 1.00 14.31 H new ATOM 0 HG1 THR A 93 9.587 3.743 11.724 1.00 4.41 H new ATOM 0 HG21 THR A 93 8.912 0.921 10.004 1.00 72.01 H new ATOM 0 HG22 THR A 93 9.495 1.760 8.546 1.00 72.01 H new ATOM 0 HG23 THR A 93 10.462 1.795 10.040 1.00 72.01 H new ATOM 1594 N PRO A 94 10.784 4.054 7.590 1.00 14.14 N ATOM 1595 CA PRO A 94 11.062 4.078 6.164 1.00 74.20 C ATOM 1596 C PRO A 94 10.396 2.896 5.456 1.00 15.02 C ATOM 1597 O PRO A 94 10.267 1.816 6.030 1.00 45.33 O ATOM 1598 CB PRO A 94 12.577 4.056 6.058 1.00 44.34 C ATOM 1599 CG PRO A 94 13.083 3.555 7.401 1.00 22.42 C ATOM 1600 CD PRO A 94 11.928 3.619 8.386 1.00 54.04 C ATOM 0 HA PRO A 94 10.655 4.961 5.671 1.00 74.20 H new ATOM 0 HB2 PRO A 94 12.902 3.401 5.249 1.00 44.34 H new ATOM 0 HB3 PRO A 94 12.967 5.050 5.840 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.454 2.534 7.313 1.00 22.42 H new ATOM 0 HG3 PRO A 94 13.915 4.167 7.748 1.00 22.42 H new ATOM 0 HD2 PRO A 94 11.745 2.647 8.844 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.136 4.319 9.195 1.00 54.04 H new ATOM 1608 N ILE A 95 9.991 3.141 4.218 1.00 43.23 N ATOM 1609 CA ILE A 95 9.342 2.110 3.426 1.00 11.34 C ATOM 1610 C ILE A 95 10.247 0.878 3.359 1.00 4.52 C ATOM 1611 O ILE A 95 9.785 -0.221 3.058 1.00 11.01 O ATOM 1612 CB ILE A 95 8.948 2.658 2.052 1.00 53.24 C ATOM 1613 CG1 ILE A 95 7.856 1.800 1.412 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.172 2.799 1.147 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.595 2.625 1.144 1.00 23.35 C ATOM 0 H ILE A 95 10.100 4.038 3.744 1.00 43.23 H new ATOM 0 HA ILE A 95 8.411 1.797 3.899 1.00 11.34 H new ATOM 0 HB ILE A 95 8.533 3.657 2.188 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.223 1.376 0.477 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.615 0.964 2.068 1.00 71.40 H new ATOM 0 HG21 ILE A 95 9.864 3.190 0.177 1.00 74.51 H new ATOM 0 HG22 ILE A 95 10.886 3.484 1.605 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.640 1.824 1.013 1.00 74.51 H new ATOM 0 HD11 ILE A 95 5.835 1.990 0.689 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.217 3.027 2.084 1.00 23.35 H new ATOM 0 HD13 ILE A 95 6.834 3.446 0.468 1.00 23.35 H new ATOM 1627 N SER A 96 11.521 1.104 3.644 1.00 11.42 N ATOM 1628 CA SER A 96 12.495 0.026 3.620 1.00 51.52 C ATOM 1629 C SER A 96 12.282 -0.899 4.819 1.00 41.31 C ATOM 1630 O SER A 96 12.508 -2.105 4.726 1.00 24.42 O ATOM 1631 CB SER A 96 13.925 0.575 3.621 1.00 73.11 C ATOM 1632 OG SER A 96 14.822 -0.278 4.325 1.00 50.12 O ATOM 0 H SER A 96 11.901 2.017 3.893 1.00 11.42 H new ATOM 0 HA SER A 96 12.353 -0.542 2.701 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.269 0.694 2.593 1.00 73.11 H new ATOM 0 HB3 SER A 96 13.933 1.565 4.077 1.00 73.11 H new ATOM 0 HG SER A 96 15.724 0.105 4.302 1.00 50.12 H new ATOM 1638 N GLU A 97 11.848 -0.300 5.919 1.00 73.25 N ATOM 1639 CA GLU A 97 11.601 -1.055 7.135 1.00 22.40 C ATOM 1640 C GLU A 97 10.134 -1.485 7.204 1.00 74.43 C ATOM 1641 O GLU A 97 9.837 -2.664 7.396 1.00 53.53 O ATOM 1642 CB GLU A 97 11.994 -0.246 8.372 1.00 24.31 C ATOM 1643 CG GLU A 97 13.441 0.240 8.273 1.00 14.32 C ATOM 1644 CD GLU A 97 14.415 -0.835 8.763 1.00 13.10 C ATOM 1645 OE1 GLU A 97 14.274 -1.330 9.891 1.00 33.11 O ATOM 1646 OE2 GLU A 97 15.342 -1.152 7.925 1.00 21.14 O ATOM 0 H GLU A 97 11.661 0.700 5.993 1.00 73.25 H new ATOM 0 HA GLU A 97 12.221 -1.951 7.116 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.326 0.609 8.479 1.00 24.31 H new ATOM 0 HB3 GLU A 97 11.873 -0.859 9.265 1.00 24.31 H new ATOM 0 HG2 GLU A 97 13.671 0.501 7.240 1.00 14.32 H new ATOM 0 HG3 GLU A 97 13.566 1.146 8.866 1.00 14.32 H new ATOM 1654 N VAL A 98 9.256 -0.507 7.042 1.00 73.03 N ATOM 1655 CA VAL A 98 7.827 -0.770 7.084 1.00 14.31 C ATOM 1656 C VAL A 98 7.525 -2.050 6.301 1.00 14.23 C ATOM 1657 O VAL A 98 6.564 -2.754 6.605 1.00 62.31 O ATOM 1658 CB VAL A 98 7.057 0.446 6.563 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.649 0.050 6.112 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.004 1.553 7.617 1.00 53.40 C ATOM 0 H VAL A 98 9.506 0.469 6.881 1.00 73.03 H new ATOM 0 HA VAL A 98 7.498 -0.932 8.110 1.00 14.31 H new ATOM 0 HB VAL A 98 7.590 0.835 5.695 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.123 0.932 5.746 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.717 -0.689 5.314 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.103 -0.375 6.954 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.452 2.405 7.222 1.00 53.40 H new ATOM 0 HG22 VAL A 98 6.505 1.180 8.511 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.018 1.863 7.870 1.00 53.40 H new ATOM 1670 N TYR A 99 8.364 -2.309 5.309 1.00 23.41 N ATOM 1671 CA TYR A 99 8.198 -3.492 4.481 1.00 72.23 C ATOM 1672 C TYR A 99 8.655 -4.750 5.223 1.00 41.42 C ATOM 1673 O TYR A 99 7.871 -5.677 5.419 1.00 44.51 O ATOM 1674 CB TYR A 99 9.097 -3.280 3.261 1.00 73.42 C ATOM 1675 CG TYR A 99 9.519 -4.577 2.567 1.00 71.20 C ATOM 1676 CD1 TYR A 99 8.685 -5.167 1.639 1.00 10.12 C ATOM 1677 CD2 TYR A 99 10.735 -5.157 2.869 1.00 72.44 C ATOM 1678 CE1 TYR A 99 9.083 -6.387 0.986 1.00 13.41 C ATOM 1679 CE2 TYR A 99 11.133 -6.377 2.216 1.00 65.15 C ATOM 1680 CZ TYR A 99 10.287 -6.932 1.306 1.00 12.34 C ATOM 1681 OH TYR A 99 10.662 -8.085 0.690 1.00 34.03 O ATOM 0 H TYR A 99 9.160 -1.721 5.060 1.00 23.41 H new ATOM 0 HA TYR A 99 7.151 -3.629 4.212 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.574 -2.649 2.542 1.00 73.42 H new ATOM 0 HB3 TYR A 99 9.991 -2.738 3.571 1.00 73.42 H new ATOM 0 HD1 TYR A 99 7.734 -4.714 1.403 1.00 10.12 H new ATOM 0 HD2 TYR A 99 11.388 -4.696 3.595 1.00 72.44 H new ATOM 0 HE1 TYR A 99 8.440 -6.859 0.258 1.00 13.41 H new ATOM 0 HE2 TYR A 99 12.081 -6.841 2.443 1.00 65.15 H new ATOM 0 HH TYR A 99 9.910 -8.437 0.169 1.00 34.03 H new ATOM 1691 N GLU A 100 9.919 -4.741 5.616 1.00 24.12 N ATOM 1692 CA GLU A 100 10.489 -5.869 6.332 1.00 10.14 C ATOM 1693 C GLU A 100 9.888 -5.964 7.736 1.00 24.24 C ATOM 1694 O GLU A 100 10.147 -6.923 8.462 1.00 64.34 O ATOM 1695 CB GLU A 100 12.014 -5.767 6.394 1.00 52.12 C ATOM 1696 CG GLU A 100 12.449 -4.437 7.013 1.00 41.55 C ATOM 1697 CD GLU A 100 13.709 -4.614 7.864 1.00 3.21 C ATOM 1698 OE1 GLU A 100 13.787 -4.072 8.977 1.00 23.53 O ATOM 1699 OE2 GLU A 100 14.627 -5.347 7.332 1.00 74.24 O ATOM 0 H GLU A 100 10.566 -3.969 5.452 1.00 24.12 H new ATOM 0 HA GLU A 100 10.242 -6.781 5.789 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.414 -6.594 6.981 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.429 -5.858 5.390 1.00 52.12 H new ATOM 0 HG2 GLU A 100 12.638 -3.709 6.224 1.00 41.55 H new ATOM 0 HG3 GLU A 100 11.643 -4.038 7.629 1.00 41.55 H new ATOM 1707 N SER A 101 9.098 -4.958 8.076 1.00 23.43 N ATOM 1708 CA SER A 101 8.458 -4.915 9.380 1.00 33.22 C ATOM 1709 C SER A 101 6.968 -5.234 9.243 1.00 63.15 C ATOM 1710 O SER A 101 6.246 -5.289 10.238 1.00 0.10 O ATOM 1711 CB SER A 101 8.649 -3.551 10.044 1.00 23.11 C ATOM 1712 OG SER A 101 9.949 -3.410 10.611 1.00 11.13 O ATOM 0 H SER A 101 8.886 -4.165 7.471 1.00 23.43 H new ATOM 0 HA SER A 101 8.927 -5.666 10.015 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.487 -2.764 9.308 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.898 -3.418 10.823 1.00 23.11 H new ATOM 0 HG SER A 101 10.032 -2.525 11.024 1.00 11.13 H new ATOM 1718 N GLU A 102 6.550 -5.437 8.001 1.00 74.03 N ATOM 1719 CA GLU A 102 5.160 -5.749 7.721 1.00 73.55 C ATOM 1720 C GLU A 102 5.065 -6.962 6.793 1.00 44.54 C ATOM 1721 O GLU A 102 4.487 -7.985 7.160 1.00 34.43 O ATOM 1722 CB GLU A 102 4.437 -4.541 7.121 1.00 0.30 C ATOM 1723 CG GLU A 102 4.424 -3.366 8.100 1.00 75.10 C ATOM 1724 CD GLU A 102 3.354 -3.561 9.176 1.00 24.40 C ATOM 1725 OE1 GLU A 102 2.879 -2.578 9.763 1.00 30.04 O ATOM 1726 OE2 GLU A 102 3.015 -4.787 9.393 1.00 73.01 O ATOM 0 H GLU A 102 7.151 -5.391 7.178 1.00 74.03 H new ATOM 0 HA GLU A 102 4.667 -5.996 8.661 1.00 73.55 H new ATOM 0 HB2 GLU A 102 4.929 -4.242 6.195 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.414 -4.816 6.864 1.00 0.30 H new ATOM 0 HG2 GLU A 102 5.403 -3.268 8.569 1.00 75.10 H new ATOM 0 HG3 GLU A 102 4.236 -2.439 7.559 1.00 75.10 H new ATOM 1734 N ARG A 103 5.639 -6.808 5.610 1.00 73.01 N ATOM 1735 CA ARG A 103 5.626 -7.878 4.627 1.00 11.32 C ATOM 1736 C ARG A 103 5.798 -9.234 5.317 1.00 10.30 C ATOM 1737 O ARG A 103 6.487 -9.337 6.330 1.00 22.34 O ATOM 1738 CB ARG A 103 6.742 -7.694 3.597 1.00 73.24 C ATOM 1739 CG ARG A 103 8.113 -7.968 4.218 1.00 1.11 C ATOM 1740 CD ARG A 103 8.650 -9.333 3.781 1.00 64.23 C ATOM 1741 NE ARG A 103 9.424 -9.947 4.882 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.744 -9.742 5.085 1.00 54.13 C ATOM 1743 NH1 ARG A 103 11.446 -8.934 4.263 1.00 40.42 N ATOM 1744 NH2 ARG A 103 11.335 -10.342 6.102 1.00 53.31 N ATOM 0 H ARG A 103 6.116 -5.958 5.309 1.00 73.01 H new ATOM 0 HA ARG A 103 4.665 -7.845 4.114 1.00 11.32 H new ATOM 0 HB2 ARG A 103 6.579 -8.367 2.755 1.00 73.24 H new ATOM 0 HB3 ARG A 103 6.714 -6.678 3.203 1.00 73.24 H new ATOM 0 HG2 ARG A 103 8.813 -7.186 3.923 1.00 1.11 H new ATOM 0 HG3 ARG A 103 8.037 -7.934 5.305 1.00 1.11 H new ATOM 0 HD2 ARG A 103 7.823 -9.985 3.499 1.00 64.23 H new ATOM 0 HD3 ARG A 103 9.282 -9.220 2.900 1.00 64.23 H new ATOM 0 HE ARG A 103 8.931 -10.563 5.528 1.00 73.51 H new ATOM 0 HH11 ARG A 103 10.980 -8.473 3.481 1.00 40.42 H new ATOM 0 HH12 ARG A 103 12.442 -8.785 4.423 1.00 40.42 H new ATOM 0 HH21 ARG A 103 10.796 -10.949 6.719 1.00 53.31 H new ATOM 0 HH22 ARG A 103 12.331 -10.199 6.270 1.00 53.31 H new ATOM 1757 N ASP A 104 5.159 -10.241 4.739 1.00 3.22 N ATOM 1758 CA ASP A 104 5.233 -11.585 5.285 1.00 24.23 C ATOM 1759 C ASP A 104 6.236 -12.407 4.473 1.00 52.11 C ATOM 1760 O ASP A 104 6.789 -11.921 3.487 1.00 14.33 O ATOM 1761 CB ASP A 104 3.875 -12.286 5.206 1.00 21.34 C ATOM 1762 CG ASP A 104 3.523 -13.152 6.418 1.00 33.24 C ATOM 1763 OD1 ASP A 104 3.924 -12.854 7.553 1.00 13.53 O ATOM 1764 OD2 ASP A 104 2.795 -14.184 6.158 1.00 12.42 O ATOM 0 H ASP A 104 4.588 -10.153 3.898 1.00 3.22 H new ATOM 0 HA ASP A 104 5.541 -11.509 6.328 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.100 -11.530 5.081 1.00 21.34 H new ATOM 0 HB3 ASP A 104 3.857 -12.912 4.314 1.00 21.34 H new ATOM 1770 N GLU A 105 6.442 -13.638 4.917 1.00 4.45 N ATOM 1771 CA GLU A 105 7.369 -14.532 4.244 1.00 23.41 C ATOM 1772 C GLU A 105 7.261 -14.364 2.727 1.00 43.50 C ATOM 1773 O GLU A 105 8.239 -14.556 2.007 1.00 71.12 O ATOM 1774 CB GLU A 105 7.125 -15.985 4.653 1.00 74.25 C ATOM 1775 CG GLU A 105 7.103 -16.130 6.176 1.00 61.33 C ATOM 1776 CD GLU A 105 7.459 -17.557 6.597 1.00 54.43 C ATOM 1777 OE1 GLU A 105 7.860 -17.782 7.748 1.00 41.24 O ATOM 1778 OE2 GLU A 105 7.306 -18.450 5.678 1.00 31.11 O ATOM 0 H GLU A 105 5.982 -14.038 5.735 1.00 4.45 H new ATOM 0 HA GLU A 105 8.382 -14.269 4.548 1.00 23.41 H new ATOM 0 HB2 GLU A 105 6.178 -16.329 4.238 1.00 74.25 H new ATOM 0 HB3 GLU A 105 7.906 -16.620 4.235 1.00 74.25 H new ATOM 0 HG2 GLU A 105 7.809 -15.429 6.622 1.00 61.33 H new ATOM 0 HG3 GLU A 105 6.114 -15.871 6.555 1.00 61.33 H new ATOM 1786 N ASP A 106 6.064 -14.007 2.287 1.00 14.21 N ATOM 1787 CA ASP A 106 5.815 -13.811 0.868 1.00 71.01 C ATOM 1788 C ASP A 106 6.840 -12.824 0.307 1.00 12.41 C ATOM 1789 O ASP A 106 7.496 -13.105 -0.694 1.00 41.35 O ATOM 1790 CB ASP A 106 4.420 -13.232 0.628 1.00 4.22 C ATOM 1791 CG ASP A 106 3.902 -12.311 1.735 1.00 72.31 C ATOM 1792 OD1 ASP A 106 4.641 -11.462 2.255 1.00 41.53 O ATOM 1793 OD2 ASP A 106 2.669 -12.494 2.063 1.00 55.23 O ATOM 0 H ASP A 106 5.255 -13.848 2.888 1.00 14.21 H new ATOM 0 HA ASP A 106 5.892 -14.780 0.375 1.00 71.01 H new ATOM 0 HB2 ASP A 106 4.430 -12.677 -0.310 1.00 4.22 H new ATOM 0 HB3 ASP A 106 3.718 -14.056 0.504 1.00 4.22 H new ATOM 1799 N GLY A 107 6.945 -11.685 0.977 1.00 33.44 N ATOM 1800 CA GLY A 107 7.878 -10.653 0.557 1.00 23.13 C ATOM 1801 C GLY A 107 7.157 -9.537 -0.200 1.00 31.21 C ATOM 1802 O GLY A 107 7.799 -8.680 -0.808 1.00 13.31 O ATOM 0 H GLY A 107 6.399 -11.454 1.807 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.383 -10.238 1.429 1.00 23.13 H new ATOM 0 HA3 GLY A 107 8.647 -11.090 -0.079 1.00 23.13 H new ATOM 1806 N PHE A 108 5.835 -9.583 -0.142 1.00 52.33 N ATOM 1807 CA PHE A 108 5.020 -8.586 -0.815 1.00 14.14 C ATOM 1808 C PHE A 108 4.183 -7.791 0.189 1.00 21.33 C ATOM 1809 O PHE A 108 3.472 -8.372 1.007 1.00 22.32 O ATOM 1810 CB PHE A 108 4.082 -9.339 -1.759 1.00 51.42 C ATOM 1811 CG PHE A 108 4.119 -8.839 -3.204 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.394 -7.533 -3.464 1.00 32.51 C ATOM 1813 CD2 PHE A 108 3.875 -9.699 -4.229 1.00 14.11 C ATOM 1814 CE1 PHE A 108 4.429 -7.067 -4.805 1.00 73.31 C ATOM 1815 CE2 PHE A 108 3.910 -9.233 -5.571 1.00 54.21 C ATOM 1816 CZ PHE A 108 4.186 -7.928 -5.830 1.00 4.21 C ATOM 0 H PHE A 108 5.307 -10.296 0.361 1.00 52.33 H new ATOM 0 HA PHE A 108 5.659 -7.884 -1.350 1.00 14.14 H new ATOM 0 HB2 PHE A 108 4.342 -10.397 -1.745 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.062 -9.257 -1.383 1.00 51.42 H new ATOM 0 HD1 PHE A 108 4.586 -6.850 -2.650 1.00 32.51 H new ATOM 0 HD2 PHE A 108 3.655 -10.736 -4.023 1.00 14.11 H new ATOM 0 HE1 PHE A 108 4.648 -6.030 -5.011 1.00 73.31 H new ATOM 0 HE2 PHE A 108 3.717 -9.916 -6.385 1.00 54.21 H new ATOM 0 HZ PHE A 108 4.212 -7.574 -6.850 1.00 4.21 H new ATOM 1826 N LEU A 109 4.297 -6.475 0.095 1.00 21.41 N ATOM 1827 CA LEU A 109 3.561 -5.595 0.986 1.00 35.21 C ATOM 1828 C LEU A 109 2.122 -5.455 0.483 1.00 20.13 C ATOM 1829 O LEU A 109 1.892 -5.294 -0.715 1.00 53.12 O ATOM 1830 CB LEU A 109 4.289 -4.257 1.142 1.00 71.00 C ATOM 1831 CG LEU A 109 5.024 -4.046 2.467 1.00 51.53 C ATOM 1832 CD1 LEU A 109 5.502 -2.598 2.603 1.00 10.31 C ATOM 1833 CD2 LEU A 109 4.156 -4.476 3.651 1.00 53.35 C ATOM 0 H LEU A 109 4.888 -5.997 -0.585 1.00 21.41 H new ATOM 0 HA LEU A 109 3.511 -6.023 1.987 1.00 35.21 H new ATOM 0 HB2 LEU A 109 5.010 -4.161 0.330 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.562 -3.454 1.020 1.00 71.00 H new ATOM 0 HG LEU A 109 5.910 -4.681 2.471 1.00 51.53 H new ATOM 0 HD11 LEU A 109 6.021 -2.474 3.553 1.00 10.31 H new ATOM 0 HD12 LEU A 109 6.182 -2.361 1.784 1.00 10.31 H new ATOM 0 HD13 LEU A 109 4.644 -1.927 2.568 1.00 10.31 H new ATOM 0 HD21 LEU A 109 4.703 -4.315 4.580 1.00 53.35 H new ATOM 0 HD22 LEU A 109 3.239 -3.887 3.663 1.00 53.35 H new ATOM 0 HD23 LEU A 109 3.907 -5.533 3.555 1.00 53.35 H new ATOM 1845 N TYR A 110 1.191 -5.524 1.424 1.00 30.44 N ATOM 1846 CA TYR A 110 -0.219 -5.408 1.091 1.00 32.34 C ATOM 1847 C TYR A 110 -0.850 -4.202 1.791 1.00 41.52 C ATOM 1848 O TYR A 110 -1.068 -4.226 3.000 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.881 -6.686 1.607 1.00 11.21 C ATOM 1850 CG TYR A 110 -0.343 -7.968 0.968 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -0.825 -8.383 -0.257 1.00 65.35 C ATOM 1852 CD2 TYR A 110 0.625 -8.709 1.615 1.00 40.13 C ATOM 1853 CE1 TYR A 110 -0.319 -9.589 -0.859 1.00 23.30 C ATOM 1854 CE2 TYR A 110 1.131 -9.915 1.013 1.00 12.12 C ATOM 1855 CZ TYR A 110 0.634 -10.295 -0.194 1.00 64.21 C ATOM 1856 OH TYR A 110 1.113 -11.435 -0.763 1.00 75.44 O ATOM 0 H TYR A 110 1.385 -5.659 2.416 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.350 -5.274 0.017 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.742 -6.744 2.687 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.954 -6.625 1.427 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -1.582 -7.803 -0.764 1.00 65.35 H new ATOM 0 HD2 TYR A 110 1.003 -8.384 2.573 1.00 40.13 H new ATOM 0 HE1 TYR A 110 -0.688 -9.925 -1.817 1.00 23.30 H new ATOM 0 HE2 TYR A 110 1.888 -10.504 1.509 1.00 12.12 H new ATOM 0 HH TYR A 110 1.789 -11.834 -0.177 1.00 75.44 H new ATOM 1866 N MET A 111 -1.126 -3.177 0.999 1.00 11.54 N ATOM 1867 CA MET A 111 -1.727 -1.964 1.527 1.00 54.55 C ATOM 1868 C MET A 111 -3.126 -1.746 0.945 1.00 15.42 C ATOM 1869 O MET A 111 -3.392 -2.120 -0.196 1.00 64.01 O ATOM 1870 CB MET A 111 -0.841 -0.764 1.187 1.00 60.14 C ATOM 1871 CG MET A 111 0.589 -0.980 1.686 1.00 4.13 C ATOM 1872 SD MET A 111 1.612 0.411 1.231 1.00 11.21 S ATOM 1873 CE MET A 111 3.120 -0.441 0.801 1.00 41.54 C ATOM 0 H MET A 111 -0.945 -3.161 -0.005 1.00 11.54 H new ATOM 0 HA MET A 111 -1.815 -2.067 2.609 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.834 -0.607 0.108 1.00 60.14 H new ATOM 0 HB3 MET A 111 -1.255 0.138 1.638 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.590 -1.104 2.769 1.00 4.13 H new ATOM 0 HG3 MET A 111 0.997 -1.897 1.260 1.00 4.13 H new ATOM 0 HE1 MET A 111 3.888 -0.217 1.541 1.00 41.54 H new ATOM 0 HE2 MET A 111 2.938 -1.515 0.781 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.457 -0.111 -0.182 1.00 41.54 H new ATOM 1883 N VAL A 112 -3.982 -1.144 1.756 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.347 -0.873 1.336 1.00 51.41 C ATOM 1885 C VAL A 112 -5.630 0.624 1.476 1.00 34.21 C ATOM 1886 O VAL A 112 -5.644 1.156 2.585 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.322 -1.744 2.131 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.686 -1.062 2.260 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.459 -3.130 1.498 1.00 14.04 C ATOM 0 H VAL A 112 -3.758 -0.836 2.702 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.483 -1.133 0.286 1.00 51.41 H new ATOM 0 HB VAL A 112 -5.916 -1.873 3.134 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.360 -1.702 2.829 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.569 -0.109 2.775 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -8.102 -0.889 1.267 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -7.157 -3.729 2.082 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.832 -3.029 0.479 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.486 -3.620 1.482 1.00 14.04 H new ATOM 1899 N TYR A 113 -5.850 1.261 0.335 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.134 2.686 0.317 1.00 64.13 C ATOM 1901 C TYR A 113 -7.629 2.946 0.123 1.00 45.34 C ATOM 1902 O TYR A 113 -8.364 2.064 -0.318 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.371 3.252 -0.882 1.00 30.31 C ATOM 1904 CG TYR A 113 -6.057 3.009 -2.228 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.157 3.762 -2.587 1.00 33.02 C ATOM 1906 CD2 TYR A 113 -5.577 2.037 -3.082 1.00 73.00 C ATOM 1907 CE1 TYR A 113 -7.803 3.533 -3.854 1.00 63.43 C ATOM 1908 CE2 TYR A 113 -6.223 1.809 -4.349 1.00 24.44 C ATOM 1909 CZ TYR A 113 -7.304 2.568 -4.672 1.00 23.23 C ATOM 1910 OH TYR A 113 -7.914 2.353 -5.868 1.00 43.21 O ATOM 0 H TYR A 113 -5.837 0.817 -0.583 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.837 3.148 1.259 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.239 4.325 -0.742 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.375 2.809 -0.908 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.533 4.522 -1.918 1.00 33.02 H new ATOM 0 HD2 TYR A 113 -4.717 1.447 -2.800 1.00 73.00 H new ATOM 0 HE1 TYR A 113 -8.664 4.115 -4.148 1.00 63.43 H new ATOM 0 HE2 TYR A 113 -5.857 1.052 -5.027 1.00 24.44 H new ATOM 0 HH TYR A 113 -8.412 3.155 -6.130 1.00 43.21 H new ATOM 1920 N ALA A 114 -8.036 4.161 0.462 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.430 4.547 0.331 1.00 1.44 C ATOM 1922 C ALA A 114 -9.596 6.001 0.777 1.00 2.12 C ATOM 1923 O ALA A 114 -8.628 6.645 1.177 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.305 3.586 1.139 1.00 12.02 C ATOM 0 H ALA A 114 -7.424 4.891 0.827 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.750 4.482 -0.709 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.351 3.876 1.040 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.173 2.571 0.764 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -10.015 3.625 2.189 1.00 12.02 H new ATOM 1930 N SER A 115 -10.830 6.476 0.692 1.00 54.31 N ATOM 1931 CA SER A 115 -11.134 7.842 1.082 1.00 61.52 C ATOM 1932 C SER A 115 -11.435 7.904 2.581 1.00 53.55 C ATOM 1933 O SER A 115 -12.114 8.819 3.045 1.00 63.34 O ATOM 1934 CB SER A 115 -12.316 8.392 0.281 1.00 1.23 C ATOM 1935 OG SER A 115 -12.040 9.681 -0.260 1.00 60.44 O ATOM 0 H SER A 115 -11.631 5.939 0.359 1.00 54.31 H new ATOM 0 HA SER A 115 -10.263 8.461 0.867 1.00 61.52 H new ATOM 0 HB2 SER A 115 -12.557 7.703 -0.528 1.00 1.23 H new ATOM 0 HB3 SER A 115 -13.194 8.449 0.924 1.00 1.23 H new ATOM 0 HG SER A 115 -12.143 9.656 -1.234 1.00 60.44 H new ATOM 1941 N GLN A 116 -10.913 6.920 3.298 1.00 43.31 N ATOM 1942 CA GLN A 116 -11.116 6.850 4.734 1.00 53.23 C ATOM 1943 C GLN A 116 -9.917 6.180 5.409 1.00 50.42 C ATOM 1944 O GLN A 116 -9.444 5.140 4.952 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.415 6.114 5.070 1.00 2.11 C ATOM 1946 CG GLN A 116 -13.553 7.103 5.332 1.00 21.34 C ATOM 1947 CD GLN A 116 -14.916 6.432 5.144 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -15.306 6.057 4.050 1.00 62.34 O ATOM 1949 NE2 GLN A 116 -15.615 6.304 6.268 1.00 55.11 N ATOM 0 H GLN A 116 -10.349 6.164 2.910 1.00 43.31 H new ATOM 0 HA GLN A 116 -11.203 7.867 5.117 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -12.686 5.452 4.247 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -12.265 5.486 5.948 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -13.473 7.495 6.346 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -13.465 7.952 4.654 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -15.228 6.640 7.150 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -16.538 5.870 6.248 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.458 6.803 6.484 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.324 6.281 7.226 1.00 34.21 C ATOM 1960 C GLU A 117 -8.750 5.887 8.642 1.00 42.32 C ATOM 1961 O GLU A 117 -7.970 5.299 9.388 1.00 54.41 O ATOM 1962 CB GLU A 117 -7.178 7.293 7.259 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.330 7.121 8.522 1.00 44.23 C ATOM 1964 CD GLU A 117 -5.173 8.122 8.546 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -5.204 9.086 9.325 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -4.216 7.869 7.718 1.00 14.44 O ATOM 0 H GLU A 117 -9.852 7.666 6.859 1.00 13.30 H new ATOM 0 HA GLU A 117 -7.962 5.388 6.716 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.551 7.167 6.376 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.581 8.305 7.222 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -6.954 7.260 9.405 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -5.938 6.105 8.565 1.00 44.23 H new ATOM 1974 N THR A 118 -9.987 6.230 8.968 1.00 32.30 N ATOM 1975 CA THR A 118 -10.527 5.920 10.282 1.00 34.24 C ATOM 1976 C THR A 118 -11.901 5.260 10.152 1.00 33.31 C ATOM 1977 O THR A 118 -12.671 5.226 11.110 1.00 43.32 O ATOM 1978 CB THR A 118 -10.550 7.213 11.100 1.00 61.45 C ATOM 1979 OG1 THR A 118 -11.356 8.098 10.328 1.00 2.53 O ATOM 1980 CG2 THR A 118 -9.184 7.899 11.149 1.00 11.22 C ATOM 0 H THR A 118 -10.631 6.719 8.346 1.00 32.30 H new ATOM 0 HA THR A 118 -9.902 5.197 10.806 1.00 34.24 H new ATOM 0 HB THR A 118 -10.883 6.995 12.115 1.00 61.45 H new ATOM 0 HG1 THR A 118 -11.425 8.961 10.787 1.00 2.53 H new ATOM 0 HG21 THR A 118 -9.256 8.811 11.742 1.00 11.22 H new ATOM 0 HG22 THR A 118 -8.456 7.227 11.604 1.00 11.22 H new ATOM 0 HG23 THR A 118 -8.865 8.148 10.137 1.00 11.22 H new ATOM 1988 N PHE A 119 -12.165 4.749 8.958 1.00 75.13 N ATOM 1989 CA PHE A 119 -13.433 4.090 8.691 1.00 65.24 C ATOM 1990 C PHE A 119 -13.853 3.209 9.869 1.00 62.50 C ATOM 1991 O PHE A 119 -14.991 3.283 10.329 1.00 23.21 O ATOM 1992 CB PHE A 119 -13.227 3.208 7.458 1.00 51.32 C ATOM 1993 CG PHE A 119 -11.963 2.349 7.512 1.00 24.22 C ATOM 1994 CD1 PHE A 119 -10.778 2.852 7.070 1.00 71.14 C ATOM 1995 CD2 PHE A 119 -12.022 1.081 8.002 1.00 35.43 C ATOM 1996 CE1 PHE A 119 -9.605 2.053 7.120 1.00 72.22 C ATOM 1997 CE2 PHE A 119 -10.848 0.284 8.052 1.00 64.44 C ATOM 1998 CZ PHE A 119 -9.665 0.787 7.610 1.00 71.41 C ATOM 0 H PHE A 119 -11.523 4.778 8.166 1.00 75.13 H new ATOM 0 HA PHE A 119 -14.213 4.835 8.534 1.00 65.24 H new ATOM 0 HB2 PHE A 119 -14.093 2.556 7.342 1.00 51.32 H new ATOM 0 HB3 PHE A 119 -13.185 3.843 6.573 1.00 51.32 H new ATOM 0 HD1 PHE A 119 -10.730 3.858 6.681 1.00 71.14 H new ATOM 0 HD2 PHE A 119 -12.962 0.681 8.353 1.00 35.43 H new ATOM 0 HE1 PHE A 119 -8.665 2.452 6.768 1.00 72.22 H new ATOM 0 HE2 PHE A 119 -10.895 -0.722 8.441 1.00 64.44 H new ATOM 0 HZ PHE A 119 -8.772 0.180 7.648 1.00 71.41 H new ATOM 2008 N GLY A 120 -12.911 2.395 10.323 1.00 23.42 N ATOM 2009 CA GLY A 120 -13.169 1.501 11.439 1.00 75.54 C ATOM 2010 C GLY A 120 -14.056 2.175 12.489 1.00 62.20 C ATOM 2011 O GLY A 120 -15.207 1.783 12.677 1.00 22.03 O ATOM 0 H GLY A 120 -11.968 2.336 9.938 1.00 23.42 H new ATOM 0 HA2 GLY A 120 -13.653 0.593 11.078 1.00 75.54 H new ATOM 0 HA3 GLY A 120 -12.225 1.200 11.894 1.00 75.54 H new TER 2015 GLY A 120 ATOM 2016 N MET B 331 11.608 -18.509 -23.700 1.00 41.43 N ATOM 2017 CA MET B 331 11.334 -18.909 -22.330 1.00 14.21 C ATOM 2018 C MET B 331 11.529 -17.736 -21.367 1.00 62.23 C ATOM 2019 O MET B 331 12.469 -17.730 -20.572 1.00 54.13 O ATOM 2020 CB MET B 331 12.269 -20.054 -21.936 1.00 42.31 C ATOM 2021 CG MET B 331 11.776 -21.385 -22.508 1.00 43.21 C ATOM 2022 SD MET B 331 10.171 -21.782 -21.838 1.00 31.54 S ATOM 2023 CE MET B 331 9.515 -22.772 -23.170 1.00 4.21 C ATOM 0 HA MET B 331 10.297 -19.237 -22.268 1.00 14.21 H new ATOM 0 HB2 MET B 331 13.276 -19.848 -22.300 1.00 42.31 H new ATOM 0 HB3 MET B 331 12.330 -20.121 -20.850 1.00 42.31 H new ATOM 0 HG2 MET B 331 11.720 -21.324 -23.595 1.00 43.21 H new ATOM 0 HG3 MET B 331 12.485 -22.178 -22.269 1.00 43.21 H new ATOM 0 HE1 MET B 331 8.509 -23.105 -22.914 1.00 4.21 H new ATOM 0 HE2 MET B 331 9.479 -22.177 -24.082 1.00 4.21 H new ATOM 0 HE3 MET B 331 10.156 -23.640 -23.328 1.00 4.21 H new ATOM 2034 N SER B 332 10.627 -16.770 -21.469 1.00 34.14 N ATOM 2035 CA SER B 332 10.689 -15.595 -20.618 1.00 51.00 C ATOM 2036 C SER B 332 10.895 -16.015 -19.161 1.00 31.33 C ATOM 2037 O SER B 332 10.871 -17.203 -18.845 1.00 65.52 O ATOM 2038 CB SER B 332 9.421 -14.751 -20.752 1.00 43.13 C ATOM 2039 OG SER B 332 8.292 -15.383 -20.153 1.00 61.41 O ATOM 0 H SER B 332 9.849 -16.778 -22.129 1.00 34.14 H new ATOM 0 HA SER B 332 11.534 -14.985 -20.937 1.00 51.00 H new ATOM 0 HB2 SER B 332 9.582 -13.779 -20.286 1.00 43.13 H new ATOM 0 HB3 SER B 332 9.217 -14.569 -21.807 1.00 43.13 H new ATOM 0 HG SER B 332 7.503 -14.811 -20.258 1.00 61.41 H new ATOM 2045 N GLY B 333 11.093 -15.016 -18.313 1.00 3.32 N ATOM 2046 CA GLY B 333 11.303 -15.266 -16.898 1.00 43.01 C ATOM 2047 C GLY B 333 10.994 -14.019 -16.068 1.00 10.30 C ATOM 2048 O GLY B 333 11.857 -13.164 -15.881 1.00 23.54 O ATOM 0 H GLY B 333 11.112 -14.032 -18.580 1.00 3.32 H new ATOM 0 HA2 GLY B 333 10.668 -16.090 -16.573 1.00 43.01 H new ATOM 0 HA3 GLY B 333 12.335 -15.573 -16.729 1.00 43.01 H new ATOM 2052 N GLY B 334 9.758 -13.954 -15.593 1.00 31.32 N ATOM 2053 CA GLY B 334 9.325 -12.825 -14.788 1.00 53.43 C ATOM 2054 C GLY B 334 7.908 -12.391 -15.171 1.00 13.31 C ATOM 2055 O GLY B 334 7.471 -12.612 -16.299 1.00 50.55 O ATOM 0 H GLY B 334 9.044 -14.665 -15.750 1.00 31.32 H new ATOM 0 HA2 GLY B 334 9.354 -13.094 -13.732 1.00 53.43 H new ATOM 0 HA3 GLY B 334 10.014 -11.991 -14.924 1.00 53.43 H new ATOM 2059 N ASP B 335 7.231 -11.780 -14.209 1.00 5.13 N ATOM 2060 CA ASP B 335 5.872 -11.313 -14.432 1.00 5.01 C ATOM 2061 C ASP B 335 5.898 -10.125 -15.396 1.00 71.13 C ATOM 2062 O ASP B 335 5.427 -10.230 -16.527 1.00 10.34 O ATOM 2063 CB ASP B 335 5.230 -10.847 -13.124 1.00 53.42 C ATOM 2064 CG ASP B 335 4.597 -11.957 -12.282 1.00 1.34 C ATOM 2065 OD1 ASP B 335 5.190 -12.433 -11.304 1.00 41.32 O ATOM 2066 OD2 ASP B 335 3.428 -12.339 -12.675 1.00 4.34 O ATOM 0 H ASP B 335 7.597 -11.598 -13.275 1.00 5.13 H new ATOM 0 HA ASP B 335 5.293 -12.140 -14.844 1.00 5.01 H new ATOM 0 HB2 ASP B 335 5.988 -10.344 -12.524 1.00 53.42 H new ATOM 0 HB3 ASP B 335 4.465 -10.107 -13.356 1.00 53.42 H new ATOM 2072 N ASP B 336 6.452 -9.024 -14.913 1.00 54.12 N ATOM 2073 CA ASP B 336 6.544 -7.817 -15.717 1.00 73.32 C ATOM 2074 C ASP B 336 6.853 -6.625 -14.809 1.00 13.01 C ATOM 2075 O ASP B 336 6.003 -6.197 -14.030 1.00 45.13 O ATOM 2076 CB ASP B 336 5.225 -7.533 -16.438 1.00 42.24 C ATOM 2077 CG ASP B 336 5.304 -7.565 -17.966 1.00 61.12 C ATOM 2078 OD1 ASP B 336 5.016 -6.564 -18.641 1.00 34.03 O ATOM 2079 OD2 ASP B 336 5.683 -8.689 -18.470 1.00 11.32 O ATOM 0 H ASP B 336 6.842 -8.942 -13.974 1.00 54.12 H new ATOM 0 HA ASP B 336 7.334 -7.963 -16.454 1.00 73.32 H new ATOM 0 HB2 ASP B 336 4.485 -8.264 -16.112 1.00 42.24 H new ATOM 0 HB3 ASP B 336 4.863 -6.553 -16.128 1.00 42.24 H new ATOM 2085 N ASP B 337 8.073 -6.123 -14.938 1.00 34.41 N ATOM 2086 CA ASP B 337 8.503 -4.989 -14.138 1.00 41.12 C ATOM 2087 C ASP B 337 7.284 -4.146 -13.759 1.00 44.23 C ATOM 2088 O ASP B 337 6.613 -3.593 -14.629 1.00 22.34 O ATOM 2089 CB ASP B 337 9.470 -4.098 -14.922 1.00 74.41 C ATOM 2090 CG ASP B 337 9.057 -3.810 -16.366 1.00 74.24 C ATOM 2091 OD1 ASP B 337 7.871 -3.894 -16.720 1.00 11.21 O ATOM 2092 OD2 ASP B 337 10.023 -3.480 -17.154 1.00 24.22 O ATOM 0 H ASP B 337 8.776 -6.481 -15.584 1.00 34.41 H new ATOM 0 HA ASP B 337 9.005 -5.373 -13.250 1.00 41.12 H new ATOM 0 HB2 ASP B 337 9.576 -3.150 -14.394 1.00 74.41 H new ATOM 0 HB3 ASP B 337 10.452 -4.571 -14.928 1.00 74.41 H new ATOM 2098 N TRP B 338 7.037 -4.072 -12.460 1.00 31.21 N ATOM 2099 CA TRP B 338 5.910 -3.305 -11.955 1.00 33.50 C ATOM 2100 C TRP B 338 6.160 -1.831 -12.279 1.00 43.13 C ATOM 2101 O TRP B 338 6.888 -1.512 -13.218 1.00 24.04 O ATOM 2102 CB TRP B 338 5.699 -3.561 -10.462 1.00 13.13 C ATOM 2103 CG TRP B 338 6.058 -4.980 -10.016 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.228 -6.066 -10.782 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.285 -5.424 -8.662 1.00 60.44 C ATOM 2106 NE1 TRP B 338 6.547 -7.175 -10.023 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.583 -6.772 -8.693 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.241 -4.712 -7.451 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 6.860 -7.522 -7.544 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.521 -5.476 -6.312 1.00 42.51 C ATOM 2111 CH2 TRP B 338 6.821 -6.833 -6.326 1.00 22.23 C ATOM 0 H TRP B 338 7.597 -4.530 -11.741 1.00 31.21 H new ATOM 0 HA TRP B 338 4.983 -3.616 -12.438 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.299 -2.850 -9.894 1.00 13.13 H new ATOM 0 HB3 TRP B 338 4.655 -3.367 -10.215 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.128 -6.073 -11.857 1.00 63.32 H new ATOM 0 HE1 TRP B 338 6.724 -8.116 -10.374 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.009 -3.658 -7.403 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.091 -8.576 -7.594 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.503 -4.976 -5.355 1.00 42.51 H new ATOM 0 HH2 TRP B 338 7.023 -7.354 -5.402 1.00 22.23 H new ATOM 2122 N THR B 339 5.541 -0.971 -11.484 1.00 11.15 N ATOM 2123 CA THR B 339 5.686 0.463 -11.675 1.00 63.24 C ATOM 2124 C THR B 339 6.778 1.014 -10.757 1.00 75.25 C ATOM 2125 O THR B 339 7.008 0.486 -9.671 1.00 55.55 O ATOM 2126 CB THR B 339 4.319 1.111 -11.451 1.00 43.14 C ATOM 2127 OG1 THR B 339 4.445 2.402 -12.040 1.00 20.42 O ATOM 2128 CG2 THR B 339 4.044 1.402 -9.973 1.00 73.05 C ATOM 0 H THR B 339 4.938 -1.239 -10.706 1.00 11.15 H new ATOM 0 HA THR B 339 6.009 0.697 -12.689 1.00 63.24 H new ATOM 0 HB THR B 339 3.540 0.458 -11.844 1.00 43.14 H new ATOM 0 HG1 THR B 339 4.182 2.358 -12.983 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.061 1.862 -9.869 1.00 73.05 H new ATOM 0 HG22 THR B 339 4.070 0.470 -9.408 1.00 73.05 H new ATOM 0 HG23 THR B 339 4.805 2.082 -9.588 1.00 73.05 H new ATOM 2136 N HIS B 340 7.423 2.073 -11.227 1.00 23.10 N ATOM 2137 CA HIS B 340 8.486 2.703 -10.462 1.00 53.35 C ATOM 2138 C HIS B 340 7.937 3.930 -9.734 1.00 55.35 C ATOM 2139 O HIS B 340 7.427 4.854 -10.366 1.00 75.31 O ATOM 2140 CB HIS B 340 9.680 3.031 -11.360 1.00 52.13 C ATOM 2141 CG HIS B 340 9.341 3.110 -12.829 1.00 4.34 C ATOM 2142 ND1 HIS B 340 9.396 2.013 -13.672 1.00 2.03 N ATOM 2143 CD2 HIS B 340 8.940 4.165 -13.596 1.00 35.32 C ATOM 2144 CE1 HIS B 340 9.044 2.403 -14.888 1.00 52.42 C ATOM 2145 NE2 HIS B 340 8.763 3.737 -14.839 1.00 32.50 N ATOM 0 H HIS B 340 7.229 2.510 -12.128 1.00 23.10 H new ATOM 0 HA HIS B 340 8.854 2.010 -9.705 1.00 53.35 H new ATOM 0 HB2 HIS B 340 10.108 3.983 -11.045 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.449 2.272 -11.216 1.00 52.13 H new ATOM 0 HD2 HIS B 340 8.792 5.177 -13.250 1.00 35.32 H new ATOM 0 HE1 HIS B 340 8.989 1.775 -15.765 1.00 52.42 H new ATOM 0 HE2 HIS B 340 8.466 4.311 -15.628 1.00 32.50 H new ATOM 2153 N LEU B 341 8.058 3.901 -8.415 1.00 42.45 N ATOM 2154 CA LEU B 341 7.580 4.999 -7.595 1.00 42.21 C ATOM 2155 C LEU B 341 8.733 5.967 -7.321 1.00 60.12 C ATOM 2156 O LEU B 341 9.716 5.601 -6.679 1.00 1.40 O ATOM 2157 CB LEU B 341 6.908 4.468 -6.326 1.00 45.14 C ATOM 2158 CG LEU B 341 5.619 3.670 -6.532 1.00 73.23 C ATOM 2159 CD1 LEU B 341 4.646 3.891 -5.373 1.00 65.35 C ATOM 2160 CD2 LEU B 341 4.983 3.997 -7.885 1.00 55.44 C ATOM 0 H LEU B 341 8.481 3.133 -7.894 1.00 42.45 H new ATOM 0 HA LEU B 341 6.811 5.561 -8.124 1.00 42.21 H new ATOM 0 HB2 LEU B 341 7.622 3.836 -5.798 1.00 45.14 H new ATOM 0 HB3 LEU B 341 6.688 5.314 -5.674 1.00 45.14 H new ATOM 0 HG LEU B 341 5.871 2.610 -6.542 1.00 73.23 H new ATOM 0 HD11 LEU B 341 3.738 3.312 -5.545 1.00 65.35 H new ATOM 0 HD12 LEU B 341 5.111 3.569 -4.441 1.00 65.35 H new ATOM 0 HD13 LEU B 341 4.394 4.949 -5.306 1.00 65.35 H new ATOM 0 HD21 LEU B 341 4.068 3.417 -8.007 1.00 55.44 H new ATOM 0 HD22 LEU B 341 4.747 5.060 -7.929 1.00 55.44 H new ATOM 0 HD23 LEU B 341 5.680 3.747 -8.685 1.00 55.44 H new ATOM 2172 N SER B 342 8.574 7.183 -7.823 1.00 53.43 N ATOM 2173 CA SER B 342 9.592 8.205 -7.642 1.00 62.22 C ATOM 2174 C SER B 342 9.049 9.332 -6.759 1.00 15.10 C ATOM 2175 O SER B 342 7.996 9.899 -7.049 1.00 21.54 O ATOM 2176 CB SER B 342 10.059 8.763 -8.987 1.00 33.03 C ATOM 2177 OG SER B 342 9.908 7.814 -10.040 1.00 21.10 O ATOM 0 H SER B 342 7.757 7.484 -8.354 1.00 53.43 H new ATOM 0 HA SER B 342 10.452 7.748 -7.152 1.00 62.22 H new ATOM 0 HB2 SER B 342 9.489 9.662 -9.224 1.00 33.03 H new ATOM 0 HB3 SER B 342 11.105 9.059 -8.913 1.00 33.03 H new ATOM 0 HG SER B 342 10.100 8.245 -10.899 1.00 21.10 H new ATOM 2183 N SER B 343 9.792 9.622 -5.701 1.00 0.25 N ATOM 2184 CA SER B 343 9.398 10.670 -4.776 1.00 53.03 C ATOM 2185 C SER B 343 9.772 12.039 -5.346 1.00 5.52 C ATOM 2186 O SER B 343 9.492 13.069 -4.734 1.00 30.55 O ATOM 2187 CB SER B 343 10.051 10.469 -3.406 1.00 24.32 C ATOM 2188 OG SER B 343 11.412 10.064 -3.518 1.00 14.53 O ATOM 0 H SER B 343 10.664 9.149 -5.464 1.00 0.25 H new ATOM 0 HA SER B 343 8.317 10.622 -4.644 1.00 53.03 H new ATOM 0 HB2 SER B 343 9.995 11.397 -2.838 1.00 24.32 H new ATOM 0 HB3 SER B 343 9.494 9.718 -2.846 1.00 24.32 H new ATOM 0 HG SER B 343 11.960 10.581 -2.891 1.00 14.53 H new ATOM 2194 N LYS B 344 10.401 12.008 -6.512 1.00 41.31 N ATOM 2195 CA LYS B 344 10.816 13.234 -7.172 1.00 25.42 C ATOM 2196 C LYS B 344 9.708 13.698 -8.120 1.00 71.41 C ATOM 2197 O LYS B 344 9.558 14.894 -8.366 1.00 5.30 O ATOM 2198 CB LYS B 344 12.171 13.041 -7.857 1.00 31.02 C ATOM 2199 CG LYS B 344 12.236 11.689 -8.572 1.00 5.42 C ATOM 2200 CD LYS B 344 12.949 10.647 -7.707 1.00 64.43 C ATOM 2201 CE LYS B 344 14.434 10.980 -7.560 1.00 14.43 C ATOM 2202 NZ LYS B 344 15.224 10.307 -8.616 1.00 22.20 N ATOM 0 H LYS B 344 10.633 11.153 -7.017 1.00 41.31 H new ATOM 0 HA LYS B 344 10.964 14.029 -6.441 1.00 25.42 H new ATOM 0 HB2 LYS B 344 12.338 13.844 -8.575 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.969 13.104 -7.117 1.00 31.02 H new ATOM 0 HG2 LYS B 344 11.227 11.347 -8.803 1.00 5.42 H new ATOM 0 HG3 LYS B 344 12.760 11.800 -9.521 1.00 5.42 H new ATOM 0 HD2 LYS B 344 12.483 10.606 -6.723 1.00 64.43 H new ATOM 0 HD3 LYS B 344 12.837 9.659 -8.154 1.00 64.43 H new ATOM 0 HE2 LYS B 344 14.579 12.059 -7.621 1.00 14.43 H new ATOM 0 HE3 LYS B 344 14.787 10.666 -6.578 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 16.230 10.544 -8.501 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 15.100 9.277 -8.539 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 14.898 10.626 -9.550 1.00 22.20 H new ATOM 2215 N GLU B 345 8.961 12.728 -8.625 1.00 53.15 N ATOM 2216 CA GLU B 345 7.872 13.022 -9.541 1.00 4.44 C ATOM 2217 C GLU B 345 6.656 13.541 -8.770 1.00 23.22 C ATOM 2218 O GLU B 345 5.672 13.968 -9.372 1.00 21.12 O ATOM 2219 CB GLU B 345 7.509 11.793 -10.375 1.00 53.02 C ATOM 2220 CG GLU B 345 8.747 11.207 -11.057 1.00 14.22 C ATOM 2221 CD GLU B 345 8.516 9.747 -11.452 1.00 0.42 C ATOM 2222 OE1 GLU B 345 9.411 9.113 -12.030 1.00 61.52 O ATOM 2223 OE2 GLU B 345 7.358 9.273 -11.138 1.00 24.43 O ATOM 0 H GLU B 345 9.088 11.737 -8.417 1.00 53.15 H new ATOM 0 HA GLU B 345 8.202 13.801 -10.228 1.00 4.44 H new ATOM 0 HB2 GLU B 345 7.050 11.038 -9.736 1.00 53.02 H new ATOM 0 HB3 GLU B 345 6.770 12.066 -11.128 1.00 53.02 H new ATOM 0 HG2 GLU B 345 8.990 11.793 -11.943 1.00 14.22 H new ATOM 0 HG3 GLU B 345 9.603 11.275 -10.385 1.00 14.22 H new ATOM 2231 N VAL B 346 6.764 13.486 -7.451 1.00 4.42 N ATOM 2232 CA VAL B 346 5.686 13.944 -6.592 1.00 33.24 C ATOM 2233 C VAL B 346 5.720 15.471 -6.510 1.00 64.22 C ATOM 2234 O VAL B 346 6.613 16.108 -7.067 1.00 4.44 O ATOM 2235 CB VAL B 346 5.786 13.270 -5.221 1.00 73.12 C ATOM 2236 CG1 VAL B 346 5.896 11.750 -5.366 1.00 34.11 C ATOM 2237 CG2 VAL B 346 6.960 13.830 -4.418 1.00 13.23 C ATOM 0 H VAL B 346 7.582 13.131 -6.956 1.00 4.42 H new ATOM 0 HA VAL B 346 4.719 13.661 -7.009 1.00 33.24 H new ATOM 0 HB VAL B 346 4.871 13.490 -4.672 1.00 73.12 H new ATOM 0 HG11 VAL B 346 5.966 11.294 -4.378 1.00 34.11 H new ATOM 0 HG12 VAL B 346 5.014 11.369 -5.880 1.00 34.11 H new ATOM 0 HG13 VAL B 346 6.787 11.503 -5.943 1.00 34.11 H new ATOM 0 HG21 VAL B 346 7.008 13.334 -3.449 1.00 13.23 H new ATOM 0 HG22 VAL B 346 7.889 13.655 -4.961 1.00 13.23 H new ATOM 0 HG23 VAL B 346 6.822 14.901 -4.271 1.00 13.23 H new ATOM 2247 N ASP B 347 4.736 16.017 -5.809 1.00 64.45 N ATOM 2248 CA ASP B 347 4.642 17.457 -5.647 1.00 13.23 C ATOM 2249 C ASP B 347 5.305 17.862 -4.328 1.00 41.10 C ATOM 2250 O ASP B 347 4.797 17.549 -3.252 1.00 60.02 O ATOM 2251 CB ASP B 347 3.182 17.912 -5.601 1.00 11.14 C ATOM 2252 CG ASP B 347 2.973 19.426 -5.680 1.00 55.41 C ATOM 2253 OD1 ASP B 347 3.288 20.164 -4.735 1.00 44.22 O ATOM 2254 OD2 ASP B 347 2.456 19.849 -6.784 1.00 54.24 O ATOM 0 H ASP B 347 3.997 15.487 -5.347 1.00 64.45 H new ATOM 0 HA ASP B 347 5.139 17.925 -6.497 1.00 13.23 H new ATOM 0 HB2 ASP B 347 2.645 17.443 -6.425 1.00 11.14 H new ATOM 0 HB3 ASP B 347 2.732 17.546 -4.678 1.00 11.14 H new TER 2260 ASP B 347