USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 943 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 31 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-0.32) USER MOD Set 1.2: A 46 SER OG : rot 180:sc=-0.00552 USER MOD Set 2.1: A 8 SER OG : rot 124:sc= 0.0151 USER MOD Set 2.2: A 10 CYS SG : rot 118:sc= -0.447 USER MOD Set 2.3: A 106 THR OG1 : rot 160:sc= -0.358 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0779 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0362 USER MOD Single : A 9 LYS NZ :NH3+ -168:sc=-0.00147 (180deg=-0.0796) USER MOD Single : A 13 MET CE :methyl -111:sc= -1.7 (180deg=-8.44!) USER MOD Single : A 15 LYS NZ :NH3+ 153:sc= -0.126 (180deg=-0.739) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.4! K(o=-3.4!,f=-0.34) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= -0.0149 (180deg=-0.155) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.577 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 116:sc= 0.182 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -164:sc= 0.966 USER MOD Single : A 56 HIS : no HD1:sc= -0.0641 X(o=-0.064,f=0) USER MOD Single : A 59 THR OG1 : rot 172:sc= 1.02 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -9:sc= 1.29 USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= -3.04 (180deg=-3.1) USER MOD Single : A 75 THR OG1 : rot 84:sc= 0.782 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 150:sc= 0.635 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -104:sc= 0.0101 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.36) USER MOD Single : A 90 HIS : no HD1:sc= -0.808 K(o=-0.81,f=-1.4) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.2!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -168:sc= -0.0515 (180deg=-0.282) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 30:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 119 MET CE :methyl -164:sc= -4.08! (180deg=-5.13!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.57) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.410 -0.916 -1.915 1.00 74.13 N ATOM 2 CA GLY A 1 -6.106 -1.450 -3.229 1.00 34.14 C ATOM 3 C GLY A 1 -6.215 -2.962 -3.279 1.00 1.51 C ATOM 4 O GLY A 1 -6.473 -3.620 -2.272 1.00 72.31 O ATOM 0 H1 GLY A 1 -7.199 -0.242 -1.988 1.00 74.13 H new ATOM 0 H2 GLY A 1 -6.677 -1.693 -1.278 1.00 74.13 H new ATOM 0 H3 GLY A 1 -5.573 -0.429 -1.536 1.00 74.13 H new ATOM 0 HA2 GLY A 1 -6.787 -1.015 -3.961 1.00 34.14 H new ATOM 0 HA3 GLY A 1 -5.097 -1.152 -3.515 1.00 34.14 H new ATOM 8 N PRO A 2 -6.017 -3.532 -4.476 1.00 21.03 N ATOM 9 CA PRO A 2 -6.089 -4.982 -4.684 1.00 2.31 C ATOM 10 C PRO A 2 -4.927 -5.721 -4.029 1.00 61.30 C ATOM 11 O PRO A 2 -5.123 -6.719 -3.336 1.00 14.21 O ATOM 12 CB PRO A 2 -6.025 -5.126 -6.206 1.00 23.42 C ATOM 13 CG PRO A 2 -5.315 -3.903 -6.674 1.00 33.11 C ATOM 14 CD PRO A 2 -5.705 -2.808 -5.721 1.00 34.03 C ATOM 0 HA PRO A 2 -6.986 -5.413 -4.239 1.00 2.31 H new ATOM 0 HB2 PRO A 2 -5.489 -6.030 -6.496 1.00 23.42 H new ATOM 0 HB3 PRO A 2 -7.023 -5.194 -6.639 1.00 23.42 H new ATOM 0 HG2 PRO A 2 -4.236 -4.054 -6.674 1.00 33.11 H new ATOM 0 HG3 PRO A 2 -5.602 -3.652 -7.695 1.00 33.11 H new ATOM 0 HD2 PRO A 2 -4.895 -2.093 -5.578 1.00 34.03 H new ATOM 0 HD3 PRO A 2 -6.565 -2.246 -6.085 1.00 34.03 H new ATOM 22 N THR A 3 -3.715 -5.224 -4.254 1.00 23.42 N ATOM 23 CA THR A 3 -2.520 -5.837 -3.687 1.00 41.32 C ATOM 24 C THR A 3 -1.881 -4.931 -2.641 1.00 20.13 C ATOM 25 O THR A 3 -2.337 -3.812 -2.413 1.00 54.11 O ATOM 26 CB THR A 3 -1.480 -6.157 -4.778 1.00 33.42 C ATOM 27 OG1 THR A 3 -1.175 -4.974 -5.524 1.00 11.12 O ATOM 28 CG2 THR A 3 -1.996 -7.236 -5.718 1.00 11.31 C ATOM 0 H THR A 3 -3.535 -4.398 -4.825 1.00 23.42 H new ATOM 0 HA THR A 3 -2.836 -6.767 -3.214 1.00 41.32 H new ATOM 0 HB THR A 3 -0.576 -6.524 -4.292 1.00 33.42 H new ATOM 0 HG1 THR A 3 -0.512 -5.184 -6.214 1.00 11.12 H new ATOM 0 HG21 THR A 3 -1.245 -7.445 -6.480 1.00 11.31 H new ATOM 0 HG22 THR A 3 -2.201 -8.144 -5.152 1.00 11.31 H new ATOM 0 HG23 THR A 3 -2.913 -6.893 -6.197 1.00 11.31 H new ATOM 36 N GLY A 4 -0.819 -5.423 -2.008 1.00 1.33 N ATOM 37 CA GLY A 4 -0.134 -4.643 -0.994 1.00 1.34 C ATOM 38 C GLY A 4 1.350 -4.948 -0.932 1.00 45.41 C ATOM 39 O GLY A 4 2.051 -4.866 -1.941 1.00 60.11 O ATOM 0 H GLY A 4 -0.422 -6.347 -2.180 1.00 1.33 H new ATOM 0 HA2 GLY A 4 -0.275 -3.582 -1.199 1.00 1.34 H new ATOM 0 HA3 GLY A 4 -0.584 -4.842 -0.021 1.00 1.34 H new ATOM 43 N THR A 5 1.831 -5.301 0.256 1.00 12.54 N ATOM 44 CA THR A 5 3.241 -5.616 0.446 1.00 74.23 C ATOM 45 C THR A 5 3.495 -6.174 1.842 1.00 64.14 C ATOM 46 O THR A 5 2.789 -5.842 2.792 1.00 14.45 O ATOM 47 CB THR A 5 4.128 -4.376 0.232 1.00 71.41 C ATOM 48 OG1 THR A 5 5.463 -4.646 0.671 1.00 32.23 O ATOM 49 CG2 THR A 5 3.574 -3.177 0.987 1.00 53.45 C ATOM 0 H THR A 5 1.264 -5.376 1.101 1.00 12.54 H new ATOM 0 HA THR A 5 3.500 -6.370 -0.297 1.00 74.23 H new ATOM 0 HB THR A 5 4.136 -4.143 -0.833 1.00 71.41 H new ATOM 0 HG1 THR A 5 6.021 -3.853 0.530 1.00 32.23 H new ATOM 0 HG21 THR A 5 4.218 -2.313 0.821 1.00 53.45 H new ATOM 0 HG22 THR A 5 2.569 -2.955 0.629 1.00 53.45 H new ATOM 0 HG23 THR A 5 3.538 -3.403 2.053 1.00 53.45 H new ATOM 57 N GLY A 6 4.512 -7.025 1.958 1.00 24.13 N ATOM 58 CA GLY A 6 4.842 -7.614 3.242 1.00 71.40 C ATOM 59 C GLY A 6 6.172 -7.125 3.780 1.00 43.52 C ATOM 60 O GLY A 6 7.020 -6.653 3.022 1.00 52.21 O ATOM 0 H GLY A 6 5.112 -7.316 1.186 1.00 24.13 H new ATOM 0 HA2 GLY A 6 4.055 -7.379 3.959 1.00 71.40 H new ATOM 0 HA3 GLY A 6 4.870 -8.699 3.144 1.00 71.40 H new ATOM 64 N GLU A 7 6.354 -7.234 5.093 1.00 62.41 N ATOM 65 CA GLU A 7 7.590 -6.795 5.730 1.00 61.05 C ATOM 66 C GLU A 7 8.346 -7.980 6.323 1.00 62.33 C ATOM 67 O GLU A 7 7.863 -9.112 6.302 1.00 20.21 O ATOM 68 CB GLU A 7 7.288 -5.770 6.826 1.00 41.31 C ATOM 69 CG GLU A 7 6.681 -6.379 8.078 1.00 34.13 C ATOM 70 CD GLU A 7 6.409 -5.346 9.156 1.00 31.31 C ATOM 71 OE1 GLU A 7 7.384 -4.826 9.738 1.00 35.02 O1- ATOM 72 OE2 GLU A 7 5.223 -5.059 9.417 1.00 50.32 O ATOM 0 H GLU A 7 5.662 -7.622 5.735 1.00 62.41 H new ATOM 0 HA GLU A 7 8.216 -6.330 4.969 1.00 61.05 H new ATOM 0 HB2 GLU A 7 8.210 -5.254 7.093 1.00 41.31 H new ATOM 0 HB3 GLU A 7 6.605 -5.018 6.430 1.00 41.31 H new ATOM 0 HG2 GLU A 7 5.749 -6.882 7.818 1.00 34.13 H new ATOM 0 HG3 GLU A 7 7.355 -7.140 8.471 1.00 34.13 H new ATOM 79 N SER A 8 9.537 -7.712 6.849 1.00 11.13 N ATOM 80 CA SER A 8 10.364 -8.755 7.443 1.00 73.41 C ATOM 81 C SER A 8 11.508 -8.150 8.249 1.00 2.22 C ATOM 82 O SER A 8 11.732 -6.939 8.220 1.00 44.50 O ATOM 83 CB SER A 8 10.922 -9.674 6.354 1.00 62.10 C ATOM 84 OG SER A 8 12.187 -9.221 5.903 1.00 14.33 O ATOM 0 H SER A 8 9.951 -6.780 6.876 1.00 11.13 H new ATOM 0 HA SER A 8 9.738 -9.340 8.117 1.00 73.41 H new ATOM 0 HB2 SER A 8 11.013 -10.689 6.741 1.00 62.10 H new ATOM 0 HB3 SER A 8 10.226 -9.714 5.516 1.00 62.10 H new ATOM 0 HG SER A 8 12.846 -9.940 6.000 1.00 14.33 H new ATOM 90 N LYS A 9 12.232 -9.000 8.969 1.00 44.32 N ATOM 91 CA LYS A 9 13.355 -8.551 9.783 1.00 23.33 C ATOM 92 C LYS A 9 14.683 -8.964 9.154 1.00 33.34 C ATOM 93 O LYS A 9 15.621 -8.170 9.084 1.00 14.24 O ATOM 94 CB LYS A 9 13.249 -9.127 11.197 1.00 44.14 C ATOM 95 CG LYS A 9 11.955 -8.765 11.905 1.00 44.04 C ATOM 96 CD LYS A 9 11.534 -9.846 12.887 1.00 2.52 C ATOM 97 CE LYS A 9 10.826 -10.994 12.183 1.00 53.35 C ATOM 98 NZ LYS A 9 9.444 -10.624 11.773 1.00 32.34 N1+ ATOM 0 H LYS A 9 12.061 -10.005 9.005 1.00 44.32 H new ATOM 0 HA LYS A 9 13.320 -7.463 9.836 1.00 23.33 H new ATOM 0 HB2 LYS A 9 13.334 -10.212 11.146 1.00 44.14 H new ATOM 0 HB3 LYS A 9 14.091 -8.769 11.790 1.00 44.14 H new ATOM 0 HG2 LYS A 9 12.081 -7.821 12.434 1.00 44.04 H new ATOM 0 HG3 LYS A 9 11.166 -8.615 11.168 1.00 44.04 H new ATOM 0 HD2 LYS A 9 12.412 -10.225 13.411 1.00 2.52 H new ATOM 0 HD3 LYS A 9 10.873 -9.417 13.641 1.00 2.52 H new ATOM 0 HE2 LYS A 9 11.399 -11.290 11.304 1.00 53.35 H new ATOM 0 HE3 LYS A 9 10.789 -11.859 12.845 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 8.927 -11.479 11.485 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 8.953 -10.176 12.573 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 9.485 -9.959 10.975 1.00 32.34 H new ATOM 112 N CYS A 10 14.753 -10.209 8.697 1.00 72.52 N ATOM 113 CA CYS A 10 15.966 -10.727 8.073 1.00 50.34 C ATOM 114 C CYS A 10 16.450 -9.794 6.968 1.00 44.02 C ATOM 115 O CYS A 10 15.680 -9.026 6.390 1.00 44.02 O ATOM 116 CB CYS A 10 15.716 -12.125 7.504 1.00 33.40 C ATOM 117 SG CYS A 10 14.233 -12.248 6.475 1.00 22.45 S ATOM 0 H CYS A 10 13.985 -10.878 8.747 1.00 72.52 H new ATOM 0 HA CYS A 10 16.740 -10.788 8.838 1.00 50.34 H new ATOM 0 HB2 CYS A 10 16.581 -12.425 6.913 1.00 33.40 H new ATOM 0 HB3 CYS A 10 15.632 -12.832 8.329 1.00 33.40 H new ATOM 0 HG CYS A 10 14.571 -12.577 5.264 1.00 22.45 H new ATOM 123 N PRO A 11 17.755 -9.858 6.667 1.00 41.21 N ATOM 124 CA PRO A 11 18.371 -9.025 5.631 1.00 32.44 C ATOM 125 C PRO A 11 17.928 -9.424 4.227 1.00 33.11 C ATOM 126 O PRO A 11 17.916 -8.601 3.310 1.00 40.40 O ATOM 127 CB PRO A 11 19.869 -9.283 5.811 1.00 52.53 C ATOM 128 CG PRO A 11 19.948 -10.630 6.443 1.00 50.33 C ATOM 129 CD PRO A 11 18.731 -10.750 7.316 1.00 12.12 C ATOM 0 HA PRO A 11 18.090 -7.977 5.732 1.00 32.44 H new ATOM 0 HB2 PRO A 11 20.392 -9.263 4.855 1.00 52.53 H new ATOM 0 HB3 PRO A 11 20.329 -8.522 6.442 1.00 52.53 H new ATOM 0 HG2 PRO A 11 19.965 -11.415 5.687 1.00 50.33 H new ATOM 0 HG3 PRO A 11 20.861 -10.733 7.030 1.00 50.33 H new ATOM 0 HD2 PRO A 11 18.369 -11.777 7.361 1.00 12.12 H new ATOM 0 HD3 PRO A 11 18.939 -10.440 8.340 1.00 12.12 H new ATOM 137 N LEU A 12 17.564 -10.691 4.064 1.00 24.44 N ATOM 138 CA LEU A 12 17.119 -11.200 2.772 1.00 13.33 C ATOM 139 C LEU A 12 15.932 -12.144 2.937 1.00 62.23 C ATOM 140 O LEU A 12 16.049 -13.202 3.552 1.00 61.54 O ATOM 141 CB LEU A 12 18.266 -11.924 2.064 1.00 1.41 C ATOM 142 CG LEU A 12 18.142 -12.054 0.546 1.00 23.13 C ATOM 143 CD1 LEU A 12 18.647 -10.794 -0.141 1.00 43.24 C ATOM 144 CD2 LEU A 12 18.902 -13.276 0.051 1.00 3.34 C ATOM 0 H LEU A 12 17.568 -11.385 4.811 1.00 24.44 H new ATOM 0 HA LEU A 12 16.803 -10.352 2.165 1.00 13.33 H new ATOM 0 HB2 LEU A 12 19.194 -11.399 2.289 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.355 -12.924 2.488 1.00 1.41 H new ATOM 0 HG LEU A 12 17.089 -12.181 0.296 1.00 23.13 H new ATOM 0 HD11 LEU A 12 18.551 -10.905 -1.221 1.00 43.24 H new ATOM 0 HD12 LEU A 12 18.058 -9.938 0.190 1.00 43.24 H new ATOM 0 HD13 LEU A 12 19.694 -10.635 0.116 1.00 43.24 H new ATOM 0 HD21 LEU A 12 18.802 -13.352 -1.032 1.00 3.34 H new ATOM 0 HD22 LEU A 12 19.956 -13.180 0.313 1.00 3.34 H new ATOM 0 HD23 LEU A 12 18.493 -14.172 0.517 1.00 3.34 H new ATOM 156 N MET A 13 14.790 -11.753 2.381 1.00 42.14 N ATOM 157 CA MET A 13 13.582 -12.565 2.464 1.00 33.41 C ATOM 158 C MET A 13 13.025 -12.855 1.074 1.00 40.04 C ATOM 159 O MET A 13 12.717 -11.937 0.314 1.00 53.03 O ATOM 160 CB MET A 13 12.524 -11.859 3.314 1.00 72.22 C ATOM 161 CG MET A 13 11.696 -12.809 4.166 1.00 31.44 C ATOM 162 SD MET A 13 10.641 -13.888 3.179 1.00 1.33 S ATOM 163 CE MET A 13 9.111 -12.958 3.180 1.00 15.23 C ATOM 0 H MET A 13 14.676 -10.879 1.868 1.00 42.14 H new ATOM 0 HA MET A 13 13.843 -13.512 2.936 1.00 33.41 H new ATOM 0 HB2 MET A 13 13.016 -11.135 3.964 1.00 72.22 H new ATOM 0 HB3 MET A 13 11.858 -11.298 2.658 1.00 72.22 H new ATOM 0 HG2 MET A 13 12.363 -13.418 4.776 1.00 31.44 H new ATOM 0 HG3 MET A 13 11.077 -12.230 4.851 1.00 31.44 H new ATOM 0 HE1 MET A 13 8.364 -13.487 3.771 1.00 15.23 H new ATOM 0 HE2 MET A 13 9.284 -11.973 3.612 1.00 15.23 H new ATOM 0 HE3 MET A 13 8.752 -12.847 2.157 1.00 15.23 H new ATOM 173 N VAL A 14 12.898 -14.138 0.747 1.00 0.34 N ATOM 174 CA VAL A 14 12.377 -14.547 -0.552 1.00 54.11 C ATOM 175 C VAL A 14 10.985 -15.155 -0.418 1.00 75.31 C ATOM 176 O VAL A 14 10.817 -16.232 0.155 1.00 44.51 O ATOM 177 CB VAL A 14 13.308 -15.569 -1.232 1.00 71.42 C ATOM 178 CG1 VAL A 14 12.811 -15.893 -2.633 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.735 -15.045 -1.272 1.00 54.20 C ATOM 0 H VAL A 14 13.149 -14.911 1.364 1.00 0.34 H new ATOM 0 HA VAL A 14 12.321 -13.650 -1.169 1.00 54.11 H new ATOM 0 HB VAL A 14 13.299 -16.489 -0.647 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.481 -16.616 -3.098 1.00 65.25 H new ATOM 0 HG12 VAL A 14 11.807 -16.313 -2.575 1.00 65.25 H new ATOM 0 HG13 VAL A 14 12.789 -14.982 -3.231 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.379 -15.780 -1.756 1.00 54.20 H new ATOM 0 HG22 VAL A 14 14.764 -14.111 -1.834 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.086 -14.868 -0.255 1.00 54.20 H new ATOM 189 N LYS A 15 9.988 -14.457 -0.952 1.00 45.14 N ATOM 190 CA LYS A 15 8.609 -14.927 -0.896 1.00 34.42 C ATOM 191 C LYS A 15 8.210 -15.603 -2.204 1.00 3.44 C ATOM 192 O LYS A 15 8.190 -14.971 -3.260 1.00 33.44 O ATOM 193 CB LYS A 15 7.662 -13.761 -0.603 1.00 23.14 C ATOM 194 CG LYS A 15 6.290 -14.197 -0.119 1.00 20.51 C ATOM 195 CD LYS A 15 6.228 -14.259 1.398 1.00 21.44 C ATOM 196 CE LYS A 15 5.858 -12.911 1.997 1.00 61.00 C ATOM 197 NZ LYS A 15 4.495 -12.476 1.585 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.110 -13.563 -1.429 1.00 45.14 H new ATOM 0 HA LYS A 15 8.534 -15.659 -0.092 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.115 -13.116 0.150 1.00 23.14 H new ATOM 0 HB3 LYS A 15 7.546 -13.163 -1.507 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.535 -13.502 -0.487 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.051 -15.176 -0.534 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.496 -15.007 1.703 1.00 21.44 H new ATOM 0 HD3 LYS A 15 7.193 -14.580 1.790 1.00 21.44 H new ATOM 0 HE2 LYS A 15 5.907 -12.971 3.084 1.00 61.00 H new ATOM 0 HE3 LYS A 15 6.587 -12.163 1.686 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.097 -11.848 2.312 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 4.552 -11.966 0.680 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 3.883 -13.310 1.475 1.00 31.20 H new ATOM 211 N VAL A 16 7.891 -16.891 -2.126 1.00 43.13 N ATOM 212 CA VAL A 16 7.490 -17.652 -3.304 1.00 14.13 C ATOM 213 C VAL A 16 5.978 -17.836 -3.351 1.00 22.53 C ATOM 214 O VAL A 16 5.421 -18.673 -2.640 1.00 43.30 O ATOM 215 CB VAL A 16 8.166 -19.036 -3.334 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.733 -19.814 -4.567 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.680 -18.891 -3.290 1.00 0.34 C ATOM 0 H VAL A 16 7.902 -17.429 -1.260 1.00 43.13 H new ATOM 0 HA VAL A 16 7.810 -17.080 -4.175 1.00 14.13 H new ATOM 0 HB VAL A 16 7.852 -19.594 -2.452 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.220 -20.789 -4.572 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.651 -19.949 -4.551 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.016 -19.262 -5.463 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.141 -19.879 -3.312 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.016 -18.315 -4.152 1.00 0.34 H new ATOM 0 HG23 VAL A 16 9.970 -18.376 -2.374 1.00 0.34 H new ATOM 227 N LEU A 17 5.317 -17.047 -4.192 1.00 52.23 N ATOM 228 CA LEU A 17 3.868 -17.123 -4.333 1.00 52.32 C ATOM 229 C LEU A 17 3.481 -17.647 -5.713 1.00 63.31 C ATOM 230 O LEU A 17 4.259 -17.555 -6.662 1.00 71.44 O ATOM 231 CB LEU A 17 3.241 -15.747 -4.103 1.00 44.04 C ATOM 232 CG LEU A 17 2.468 -15.572 -2.795 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.289 -14.779 -1.791 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.133 -14.888 -3.052 1.00 53.44 C ATOM 0 H LEU A 17 5.762 -16.348 -4.786 1.00 52.23 H new ATOM 0 HA LEU A 17 3.491 -17.818 -3.583 1.00 52.32 H new ATOM 0 HB2 LEU A 17 4.033 -14.999 -4.137 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.566 -15.534 -4.932 1.00 44.04 H new ATOM 0 HG LEU A 17 2.274 -16.559 -2.376 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.722 -14.665 -0.867 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.219 -15.308 -1.583 1.00 1.50 H new ATOM 0 HD13 LEU A 17 3.515 -13.795 -2.202 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.597 -14.772 -2.110 1.00 53.44 H new ATOM 0 HD22 LEU A 17 1.306 -13.907 -3.495 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.539 -15.495 -3.735 1.00 53.44 H new ATOM 246 N ASP A 18 2.274 -18.193 -5.815 1.00 52.03 N ATOM 247 CA ASP A 18 1.783 -18.728 -7.080 1.00 1.53 C ATOM 248 C ASP A 18 0.859 -17.729 -7.769 1.00 31.30 C ATOM 249 O ASP A 18 -0.063 -17.195 -7.155 1.00 2.31 O ATOM 250 CB ASP A 18 1.046 -20.048 -6.848 1.00 21.40 C ATOM 251 CG ASP A 18 1.024 -20.924 -8.084 1.00 31.11 C ATOM 252 OD1 ASP A 18 1.094 -20.374 -9.202 1.00 53.44 O ATOM 253 OD2 ASP A 18 0.938 -22.161 -7.934 1.00 31.41 O1- ATOM 0 H ASP A 18 1.618 -18.277 -5.038 1.00 52.03 H new ATOM 0 HA ASP A 18 2.641 -18.909 -7.728 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.524 -20.589 -6.031 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.023 -19.839 -6.536 1.00 21.40 H new ATOM 258 N ALA A 19 1.114 -17.482 -9.051 1.00 54.11 N ATOM 259 CA ALA A 19 0.304 -16.549 -9.824 1.00 4.04 C ATOM 260 C ALA A 19 -0.948 -17.228 -10.368 1.00 72.45 C ATOM 261 O ALA A 19 -1.927 -16.565 -10.711 1.00 54.10 O ATOM 262 CB ALA A 19 1.124 -15.958 -10.962 1.00 64.31 C ATOM 0 H ALA A 19 1.875 -17.915 -9.575 1.00 54.11 H new ATOM 0 HA ALA A 19 -0.012 -15.744 -9.161 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.508 -15.263 -11.532 1.00 64.31 H new ATOM 0 HB2 ALA A 19 1.985 -15.429 -10.553 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.468 -16.759 -11.617 1.00 64.31 H new ATOM 268 N VAL A 20 -0.910 -18.554 -10.444 1.00 1.32 N ATOM 269 CA VAL A 20 -2.042 -19.324 -10.947 1.00 4.11 C ATOM 270 C VAL A 20 -3.027 -19.647 -9.828 1.00 34.21 C ATOM 271 O VAL A 20 -4.240 -19.650 -10.037 1.00 24.34 O ATOM 272 CB VAL A 20 -1.581 -20.637 -11.605 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.778 -21.495 -11.983 1.00 42.40 C ATOM 274 CG2 VAL A 20 -0.716 -20.348 -12.823 1.00 1.33 C ATOM 0 H VAL A 20 -0.108 -19.118 -10.164 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.537 -18.706 -11.696 1.00 4.11 H new ATOM 0 HB VAL A 20 -0.980 -21.192 -10.884 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.432 -22.419 -12.447 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.353 -21.732 -11.088 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.409 -20.950 -12.686 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.399 -21.288 -13.275 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.290 -19.771 -13.548 1.00 1.33 H new ATOM 0 HG23 VAL A 20 0.162 -19.778 -12.519 1.00 1.33 H new ATOM 284 N ARG A 21 -2.496 -19.919 -8.641 1.00 70.43 N ATOM 285 CA ARG A 21 -3.327 -20.244 -7.488 1.00 40.24 C ATOM 286 C ARG A 21 -3.549 -19.014 -6.613 1.00 25.13 C ATOM 287 O ARG A 21 -4.532 -18.931 -5.879 1.00 25.45 O ATOM 288 CB ARG A 21 -2.681 -21.359 -6.664 1.00 54.04 C ATOM 289 CG ARG A 21 -2.122 -22.494 -7.508 1.00 23.13 C ATOM 290 CD ARG A 21 -1.540 -23.599 -6.641 1.00 70.24 C ATOM 291 NE ARG A 21 -2.579 -24.379 -5.975 1.00 32.25 N ATOM 292 CZ ARG A 21 -2.367 -25.105 -4.883 1.00 13.33 C ATOM 293 NH1 ARG A 21 -1.161 -25.149 -4.335 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -3.365 -25.788 -4.335 1.00 42.11 N ATOM 0 H ARG A 21 -1.494 -19.921 -8.452 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.294 -20.587 -7.855 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.877 -20.935 -6.062 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.420 -21.762 -5.971 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.911 -22.903 -8.139 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.350 -22.108 -8.174 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.930 -24.260 -7.257 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.879 -23.162 -5.892 1.00 70.24 H new ATOM 0 HE ARG A 21 -3.519 -24.366 -6.370 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -0.392 -24.624 -4.752 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -1.002 -25.708 -3.496 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -4.295 -25.755 -4.753 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -3.202 -26.345 -3.496 1.00 42.11 H new ATOM 308 N GLY A 22 -2.625 -18.061 -6.695 1.00 14.01 N ATOM 309 CA GLY A 22 -2.738 -16.849 -5.905 1.00 71.33 C ATOM 310 C GLY A 22 -2.411 -17.077 -4.442 1.00 55.30 C ATOM 311 O GLY A 22 -2.828 -16.308 -3.578 1.00 35.44 O ATOM 0 H GLY A 22 -1.801 -18.107 -7.294 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -2.067 -16.091 -6.310 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.751 -16.456 -5.991 1.00 71.33 H new ATOM 315 N SER A 23 -1.662 -18.140 -4.164 1.00 52.31 N ATOM 316 CA SER A 23 -1.284 -18.471 -2.795 1.00 31.20 C ATOM 317 C SER A 23 0.190 -18.857 -2.718 1.00 73.43 C ATOM 318 O SER A 23 0.821 -19.205 -3.716 1.00 43.22 O ATOM 319 CB SER A 23 -2.150 -19.617 -2.268 1.00 51.44 C ATOM 320 OG SER A 23 -3.316 -19.123 -1.631 1.00 24.23 O ATOM 0 H SER A 23 -1.305 -18.786 -4.868 1.00 52.31 H new ATOM 0 HA SER A 23 -1.444 -17.588 -2.176 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.432 -20.273 -3.092 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.574 -20.218 -1.564 1.00 51.44 H new ATOM 0 HG SER A 23 -3.854 -19.874 -1.304 1.00 24.23 H new ATOM 326 N PRO A 24 0.755 -18.792 -1.502 1.00 13.40 N ATOM 327 CA PRO A 24 2.161 -19.131 -1.263 1.00 34.35 C ATOM 328 C PRO A 24 2.433 -20.622 -1.418 1.00 53.53 C ATOM 329 O PRO A 24 1.655 -21.456 -0.954 1.00 40.42 O ATOM 330 CB PRO A 24 2.389 -18.693 0.186 1.00 12.41 C ATOM 331 CG PRO A 24 1.040 -18.748 0.816 1.00 62.31 C ATOM 332 CD PRO A 24 0.062 -18.385 -0.267 1.00 53.31 C ATOM 0 HA PRO A 24 2.825 -18.646 -1.979 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.090 -19.355 0.694 1.00 12.41 H new ATOM 0 HB3 PRO A 24 2.808 -17.688 0.234 1.00 12.41 H new ATOM 0 HG2 PRO A 24 0.834 -19.743 1.210 1.00 62.31 H new ATOM 0 HG3 PRO A 24 0.971 -18.053 1.653 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.885 -18.910 -0.146 1.00 53.31 H new ATOM 0 HD3 PRO A 24 -0.163 -17.318 -0.265 1.00 53.31 H new ATOM 340 N ALA A 25 3.541 -20.953 -2.073 1.00 24.51 N ATOM 341 CA ALA A 25 3.916 -22.345 -2.286 1.00 10.44 C ATOM 342 C ALA A 25 4.612 -22.921 -1.058 1.00 33.45 C ATOM 343 O ALA A 25 5.303 -22.205 -0.333 1.00 43.13 O ATOM 344 CB ALA A 25 4.812 -22.469 -3.510 1.00 61.41 C ATOM 0 H ALA A 25 4.195 -20.275 -2.465 1.00 24.51 H new ATOM 0 HA ALA A 25 3.005 -22.918 -2.456 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.084 -23.514 -3.657 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.280 -22.106 -4.389 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.715 -21.876 -3.362 1.00 61.41 H new ATOM 350 N ILE A 26 4.425 -24.217 -0.831 1.00 22.35 N ATOM 351 CA ILE A 26 5.037 -24.887 0.310 1.00 34.21 C ATOM 352 C ILE A 26 6.157 -25.820 -0.136 1.00 14.43 C ATOM 353 O ILE A 26 6.064 -26.463 -1.181 1.00 25.11 O ATOM 354 CB ILE A 26 3.998 -25.696 1.110 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.041 -24.754 1.844 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.694 -26.625 2.093 1.00 54.14 C ATOM 357 CD1 ILE A 26 1.997 -25.475 2.668 1.00 11.52 C ATOM 0 H ILE A 26 3.855 -24.823 -1.421 1.00 22.35 H new ATOM 0 HA ILE A 26 5.451 -24.107 0.950 1.00 34.21 H new ATOM 0 HB ILE A 26 3.418 -26.303 0.415 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.618 -24.099 2.496 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.540 -24.117 1.115 1.00 3.20 H new ATOM 0 HG21 ILE A 26 3.947 -27.190 2.651 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.338 -27.315 1.548 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.296 -26.037 2.786 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.354 -24.745 3.160 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.395 -26.109 2.018 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.489 -26.091 3.421 1.00 11.52 H new ATOM 369 N ASN A 27 7.215 -25.891 0.664 1.00 12.42 N ATOM 370 CA ASN A 27 8.354 -26.747 0.353 1.00 73.32 C ATOM 371 C ASN A 27 8.969 -26.367 -0.990 1.00 13.34 C ATOM 372 O ASN A 27 9.193 -27.222 -1.848 1.00 65.22 O ATOM 373 CB ASN A 27 7.924 -28.216 0.332 1.00 73.52 C ATOM 374 CG ASN A 27 7.798 -28.800 1.726 1.00 73.20 C ATOM 375 OD1 ASN A 27 8.111 -29.970 1.950 1.00 43.32 O ATOM 376 ND2 ASN A 27 7.339 -27.987 2.669 1.00 31.42 N ATOM 0 H ASN A 27 7.308 -25.366 1.533 1.00 12.42 H new ATOM 0 HA ASN A 27 9.105 -26.606 1.130 1.00 73.32 H new ATOM 0 HB2 ASN A 27 6.968 -28.305 -0.184 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.649 -28.796 -0.238 1.00 73.52 H new ATOM 0 HD21 ASN A 27 7.233 -28.324 3.626 1.00 31.42 H new ATOM 0 HD22 ASN A 27 7.092 -27.025 2.437 1.00 31.42 H new ATOM 383 N VAL A 28 9.239 -25.078 -1.168 1.00 10.34 N ATOM 384 CA VAL A 28 9.830 -24.583 -2.406 1.00 3.15 C ATOM 385 C VAL A 28 11.352 -24.564 -2.320 1.00 50.12 C ATOM 386 O VAL A 28 11.940 -23.638 -1.763 1.00 52.30 O ATOM 387 CB VAL A 28 9.328 -23.165 -2.741 1.00 72.20 C ATOM 388 CG1 VAL A 28 10.008 -22.641 -3.996 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.814 -23.161 -2.901 1.00 33.20 C ATOM 0 H VAL A 28 9.058 -24.357 -0.470 1.00 10.34 H new ATOM 0 HA VAL A 28 9.522 -25.266 -3.198 1.00 3.15 H new ATOM 0 HB VAL A 28 9.585 -22.502 -1.915 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.641 -21.639 -4.217 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.086 -22.606 -3.838 1.00 40.10 H new ATOM 0 HG13 VAL A 28 9.785 -23.302 -4.834 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.476 -22.152 -3.137 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.532 -23.837 -3.708 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.349 -23.491 -1.972 1.00 33.20 H new ATOM 399 N ALA A 29 11.982 -25.594 -2.875 1.00 21.11 N ATOM 400 CA ALA A 29 13.437 -25.694 -2.863 1.00 13.43 C ATOM 401 C ALA A 29 14.078 -24.442 -3.452 1.00 73.30 C ATOM 402 O ALA A 29 14.008 -24.205 -4.658 1.00 24.22 O ATOM 403 CB ALA A 29 13.887 -26.930 -3.629 1.00 1.22 C ATOM 0 H ALA A 29 11.509 -26.370 -3.338 1.00 21.11 H new ATOM 0 HA ALA A 29 13.762 -25.784 -1.826 1.00 13.43 H new ATOM 0 HB1 ALA A 29 14.975 -26.992 -3.612 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.465 -27.820 -3.163 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.543 -26.863 -4.661 1.00 1.22 H new ATOM 409 N VAL A 30 14.704 -23.643 -2.593 1.00 52.51 N ATOM 410 CA VAL A 30 15.358 -22.416 -3.028 1.00 62.05 C ATOM 411 C VAL A 30 16.842 -22.429 -2.675 1.00 64.44 C ATOM 412 O VAL A 30 17.235 -22.927 -1.619 1.00 3.33 O ATOM 413 CB VAL A 30 14.703 -21.175 -2.393 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.332 -19.901 -2.937 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.201 -21.184 -2.637 1.00 50.55 C ATOM 0 H VAL A 30 14.771 -23.824 -1.592 1.00 52.51 H new ATOM 0 HA VAL A 30 15.245 -22.364 -4.111 1.00 62.05 H new ATOM 0 HB VAL A 30 14.875 -21.205 -1.317 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.856 -19.035 -2.477 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.397 -19.894 -2.707 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.194 -19.859 -4.017 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.753 -20.301 -2.182 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.007 -21.178 -3.710 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.766 -22.080 -2.195 1.00 50.55 H new ATOM 425 N HIS A 31 17.661 -21.878 -3.565 1.00 4.33 N ATOM 426 CA HIS A 31 19.102 -21.825 -3.347 1.00 20.44 C ATOM 427 C HIS A 31 19.643 -20.427 -3.627 1.00 70.41 C ATOM 428 O HIS A 31 19.114 -19.703 -4.470 1.00 62.13 O ATOM 429 CB HIS A 31 19.811 -22.847 -4.237 1.00 42.03 C ATOM 430 CG HIS A 31 19.089 -24.155 -4.340 1.00 51.24 C ATOM 431 ND1 HIS A 31 18.889 -24.812 -5.535 1.00 72.51 N ATOM 432 CD2 HIS A 31 18.520 -24.930 -3.387 1.00 21.01 C ATOM 433 CE1 HIS A 31 18.225 -25.933 -5.314 1.00 63.14 C ATOM 434 NE2 HIS A 31 17.990 -26.028 -4.017 1.00 23.04 N ATOM 0 H HIS A 31 17.352 -21.462 -4.443 1.00 4.33 H new ATOM 0 HA HIS A 31 19.296 -22.067 -2.302 1.00 20.44 H new ATOM 0 HB2 HIS A 31 19.929 -22.427 -5.236 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.813 -23.024 -3.846 1.00 42.03 H new ATOM 0 HD2 HIS A 31 18.489 -24.723 -2.328 1.00 21.01 H new ATOM 0 HE1 HIS A 31 17.926 -26.649 -6.065 1.00 63.14 H new ATOM 0 HE2 HIS A 31 17.495 -26.793 -3.559 1.00 23.04 H new ATOM 442 N VAL A 32 20.701 -20.052 -2.915 1.00 33.14 N ATOM 443 CA VAL A 32 21.314 -18.741 -3.086 1.00 13.25 C ATOM 444 C VAL A 32 22.825 -18.857 -3.250 1.00 62.02 C ATOM 445 O VAL A 32 23.511 -19.418 -2.396 1.00 63.22 O ATOM 446 CB VAL A 32 21.008 -17.817 -1.893 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.406 -16.384 -2.211 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.536 -17.900 -1.519 1.00 30.45 C ATOM 0 H VAL A 32 21.152 -20.639 -2.213 1.00 33.14 H new ATOM 0 HA VAL A 32 20.885 -18.308 -3.990 1.00 13.25 H new ATOM 0 HB VAL A 32 21.596 -18.150 -1.038 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.182 -15.746 -1.356 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.474 -16.342 -2.425 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.848 -16.036 -3.080 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.338 -17.241 -0.674 1.00 30.45 H new ATOM 0 HG22 VAL A 32 18.927 -17.594 -2.369 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.287 -18.925 -1.245 1.00 30.45 H new ATOM 458 N PHE A 33 23.339 -18.325 -4.355 1.00 14.51 N ATOM 459 CA PHE A 33 24.769 -18.369 -4.632 1.00 10.33 C ATOM 460 C PHE A 33 25.343 -16.960 -4.760 1.00 51.44 C ATOM 461 O PHE A 33 24.604 -15.994 -4.953 1.00 61.13 O ATOM 462 CB PHE A 33 25.037 -19.160 -5.913 1.00 54.22 C ATOM 463 CG PHE A 33 24.623 -20.602 -5.826 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.284 -20.953 -5.864 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.572 -21.603 -5.704 1.00 63.43 C ATOM 466 CE1 PHE A 33 22.898 -22.278 -5.785 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.193 -22.930 -5.625 1.00 51.24 C ATOM 468 CZ PHE A 33 23.854 -23.268 -5.664 1.00 15.51 C ATOM 0 H PHE A 33 22.785 -17.858 -5.073 1.00 14.51 H new ATOM 0 HA PHE A 33 25.260 -18.867 -3.796 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.507 -18.687 -6.740 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.101 -19.109 -6.146 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.533 -20.183 -5.956 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.620 -21.344 -5.670 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.851 -22.539 -5.818 1.00 31.23 H new ATOM 0 HE2 PHE A 33 25.943 -23.702 -5.533 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.555 -24.304 -5.600 1.00 15.51 H new ATOM 478 N ARG A 34 26.662 -16.854 -4.653 1.00 32.15 N ATOM 479 CA ARG A 34 27.336 -15.564 -4.756 1.00 13.44 C ATOM 480 C ARG A 34 28.371 -15.579 -5.876 1.00 21.02 C ATOM 481 O ARG A 34 29.016 -16.598 -6.127 1.00 3.34 O ATOM 482 CB ARG A 34 28.009 -15.209 -3.428 1.00 72.25 C ATOM 483 CG ARG A 34 28.905 -13.984 -3.509 1.00 3.34 C ATOM 484 CD ARG A 34 29.368 -13.541 -2.130 1.00 53.42 C ATOM 485 NE ARG A 34 30.261 -12.388 -2.196 1.00 31.04 N ATOM 486 CZ ARG A 34 31.554 -12.474 -2.490 1.00 34.30 C ATOM 487 NH1 ARG A 34 32.101 -13.655 -2.744 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 32.301 -11.379 -2.532 1.00 2.43 N ATOM 0 H ARG A 34 27.286 -17.645 -4.495 1.00 32.15 H new ATOM 0 HA ARG A 34 26.586 -14.808 -4.989 1.00 13.44 H new ATOM 0 HB2 ARG A 34 27.240 -15.037 -2.675 1.00 72.25 H new ATOM 0 HB3 ARG A 34 28.601 -16.060 -3.091 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.772 -14.206 -4.131 1.00 3.34 H new ATOM 0 HG3 ARG A 34 28.366 -13.169 -3.992 1.00 3.34 H new ATOM 0 HD2 ARG A 34 28.500 -13.293 -1.519 1.00 53.42 H new ATOM 0 HD3 ARG A 34 29.879 -14.368 -1.637 1.00 53.42 H new ATOM 0 HE ARG A 34 29.871 -11.465 -2.006 1.00 31.04 H new ATOM 0 HH11 ARG A 34 31.529 -14.499 -2.714 1.00 44.53 H new ATOM 0 HH12 ARG A 34 33.094 -13.719 -2.970 1.00 44.53 H new ATOM 0 HH21 ARG A 34 31.883 -10.469 -2.338 1.00 2.43 H new ATOM 0 HH22 ARG A 34 33.293 -11.447 -2.758 1.00 2.43 H new ATOM 502 N LYS A 35 28.526 -14.442 -6.547 1.00 54.20 N ATOM 503 CA LYS A 35 29.483 -14.323 -7.640 1.00 73.31 C ATOM 504 C LYS A 35 30.915 -14.431 -7.124 1.00 71.34 C ATOM 505 O LYS A 35 31.361 -13.608 -6.327 1.00 63.22 O ATOM 506 CB LYS A 35 29.292 -12.991 -8.369 1.00 24.12 C ATOM 507 CG LYS A 35 30.437 -12.640 -9.304 1.00 14.42 C ATOM 508 CD LYS A 35 30.608 -13.685 -10.393 1.00 34.13 C ATOM 509 CE LYS A 35 29.463 -13.643 -11.392 1.00 42.22 C ATOM 510 NZ LYS A 35 29.495 -12.407 -12.222 1.00 53.31 N1+ ATOM 0 H LYS A 35 28.001 -13.590 -6.352 1.00 54.20 H new ATOM 0 HA LYS A 35 29.304 -15.141 -8.337 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.365 -13.029 -8.941 1.00 24.12 H new ATOM 0 HB3 LYS A 35 29.179 -12.196 -7.632 1.00 24.12 H new ATOM 0 HG2 LYS A 35 30.252 -11.667 -9.758 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.361 -12.554 -8.733 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.552 -13.519 -10.913 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.662 -14.676 -9.942 1.00 34.13 H new ATOM 0 HE2 LYS A 35 29.515 -14.517 -12.041 1.00 42.22 H new ATOM 0 HE3 LYS A 35 28.514 -13.698 -10.859 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.858 -12.519 -13.036 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 29.186 -11.596 -11.649 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.464 -12.242 -12.561 1.00 53.31 H new ATOM 524 N ALA A 36 31.628 -15.454 -7.585 1.00 33.44 N ATOM 525 CA ALA A 36 33.011 -15.667 -7.173 1.00 70.02 C ATOM 526 C ALA A 36 33.968 -14.818 -8.002 1.00 20.11 C ATOM 527 O ALA A 36 33.542 -14.032 -8.848 1.00 35.22 O ATOM 528 CB ALA A 36 33.373 -17.140 -7.288 1.00 3.22 C ATOM 0 H ALA A 36 31.272 -16.147 -8.243 1.00 33.44 H new ATOM 0 HA ALA A 36 33.106 -15.360 -6.131 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.408 -17.286 -6.978 1.00 3.22 H new ATOM 0 HB2 ALA A 36 32.716 -17.727 -6.647 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.255 -17.464 -8.322 1.00 3.22 H new ATOM 534 N ALA A 37 35.264 -14.981 -7.752 1.00 24.23 N ATOM 535 CA ALA A 37 36.281 -14.231 -8.477 1.00 41.33 C ATOM 536 C ALA A 37 36.563 -14.859 -9.837 1.00 62.24 C ATOM 537 O ALA A 37 37.269 -14.281 -10.664 1.00 15.13 O ATOM 538 CB ALA A 37 37.560 -14.148 -7.656 1.00 20.34 C ATOM 0 H ALA A 37 35.633 -15.626 -7.053 1.00 24.23 H new ATOM 0 HA ALA A 37 35.903 -13.223 -8.644 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.312 -13.585 -8.209 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.354 -13.646 -6.711 1.00 20.34 H new ATOM 0 HB3 ALA A 37 37.932 -15.154 -7.459 1.00 20.34 H new ATOM 544 N ASP A 38 36.007 -16.044 -10.063 1.00 62.14 N ATOM 545 CA ASP A 38 36.197 -16.750 -11.324 1.00 4.12 C ATOM 546 C ASP A 38 34.949 -16.656 -12.194 1.00 0.42 C ATOM 547 O ASP A 38 34.677 -17.540 -13.007 1.00 23.13 O ATOM 548 CB ASP A 38 36.542 -18.217 -11.064 1.00 0.10 C ATOM 549 CG ASP A 38 37.433 -18.804 -12.143 1.00 65.21 C ATOM 550 OD1 ASP A 38 38.447 -18.162 -12.487 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 37.113 -19.902 -12.644 1.00 5.41 O ATOM 0 H ASP A 38 35.421 -16.536 -9.389 1.00 62.14 H new ATOM 0 HA ASP A 38 37.024 -16.278 -11.855 1.00 4.12 H new ATOM 0 HB2 ASP A 38 37.040 -18.304 -10.099 1.00 0.10 H new ATOM 0 HB3 ASP A 38 35.622 -18.798 -11.001 1.00 0.10 H new ATOM 556 N ASP A 39 34.192 -15.578 -12.019 1.00 22.23 N ATOM 557 CA ASP A 39 32.972 -15.367 -12.788 1.00 13.11 C ATOM 558 C ASP A 39 31.999 -16.526 -12.594 1.00 31.25 C ATOM 559 O ASP A 39 31.159 -16.798 -13.453 1.00 44.13 O ATOM 560 CB ASP A 39 33.300 -15.204 -14.273 1.00 2.13 C ATOM 561 CG ASP A 39 34.038 -13.912 -14.565 1.00 55.52 C ATOM 562 OD1 ASP A 39 35.253 -13.847 -14.285 1.00 22.43 O ATOM 563 OD2 ASP A 39 33.399 -12.965 -15.071 1.00 75.13 O1- ATOM 0 H ASP A 39 34.402 -14.837 -11.351 1.00 22.23 H new ATOM 0 HA ASP A 39 32.499 -14.454 -12.426 1.00 13.11 H new ATOM 0 HB2 ASP A 39 33.906 -16.048 -14.603 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.376 -15.230 -14.851 1.00 2.13 H new ATOM 568 N THR A 40 32.119 -17.209 -11.459 1.00 30.11 N ATOM 569 CA THR A 40 31.253 -18.340 -11.153 1.00 25.33 C ATOM 570 C THR A 40 30.308 -18.014 -10.003 1.00 51.15 C ATOM 571 O THR A 40 30.277 -16.884 -9.515 1.00 63.30 O ATOM 572 CB THR A 40 32.074 -19.593 -10.790 1.00 62.55 C ATOM 573 OG1 THR A 40 32.845 -19.347 -9.609 1.00 73.04 O ATOM 574 CG2 THR A 40 32.998 -19.986 -11.932 1.00 33.22 C ATOM 0 H THR A 40 32.808 -16.998 -10.737 1.00 30.11 H new ATOM 0 HA THR A 40 30.670 -18.544 -12.051 1.00 25.33 H new ATOM 0 HB THR A 40 31.381 -20.414 -10.607 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.363 -20.148 -9.384 1.00 73.04 H new ATOM 0 HG21 THR A 40 33.566 -20.873 -11.651 1.00 33.22 H new ATOM 0 HG22 THR A 40 32.406 -20.201 -12.822 1.00 33.22 H new ATOM 0 HG23 THR A 40 33.685 -19.166 -12.143 1.00 33.22 H new ATOM 582 N TRP A 41 29.540 -19.009 -9.575 1.00 51.02 N ATOM 583 CA TRP A 41 28.594 -18.827 -8.480 1.00 63.44 C ATOM 584 C TRP A 41 28.848 -19.837 -7.366 1.00 42.43 C ATOM 585 O TRP A 41 28.676 -21.040 -7.558 1.00 72.23 O ATOM 586 CB TRP A 41 27.158 -18.964 -8.991 1.00 61.33 C ATOM 587 CG TRP A 41 26.806 -17.960 -10.047 1.00 74.13 C ATOM 588 CD1 TRP A 41 26.694 -18.188 -11.389 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.523 -16.571 -9.849 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.358 -17.024 -12.038 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.246 -16.018 -11.115 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.473 -15.740 -8.726 1.00 51.42 C ATOM 593 CZ2 TRP A 41 25.926 -14.673 -11.286 1.00 72.03 C ATOM 594 CZ3 TRP A 41 26.156 -14.406 -8.898 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.885 -13.883 -10.169 1.00 4.00 C ATOM 0 H TRP A 41 29.554 -19.950 -9.969 1.00 51.02 H new ATOM 0 HA TRP A 41 28.735 -17.825 -8.075 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.017 -19.968 -9.392 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.470 -18.856 -8.153 1.00 61.33 H new ATOM 0 HD1 TRP A 41 26.847 -19.143 -11.870 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.215 -16.925 -13.043 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.678 -16.134 -7.741 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.718 -14.268 -12.265 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 26.116 -13.755 -8.037 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.639 -12.836 -10.269 1.00 4.00 H new ATOM 606 N GLU A 42 29.258 -19.340 -6.204 1.00 14.31 N ATOM 607 CA GLU A 42 29.536 -20.201 -5.061 1.00 22.31 C ATOM 608 C GLU A 42 28.307 -20.331 -4.165 1.00 30.22 C ATOM 609 O GLU A 42 27.412 -19.485 -4.170 1.00 23.11 O ATOM 610 CB GLU A 42 30.713 -19.650 -4.253 1.00 42.11 C ATOM 611 CG GLU A 42 32.070 -20.095 -4.774 1.00 72.32 C ATOM 612 CD GLU A 42 33.125 -20.143 -3.686 1.00 0.20 C ATOM 613 OE1 GLU A 42 33.154 -21.139 -2.933 1.00 22.45 O ATOM 614 OE2 GLU A 42 33.921 -19.186 -3.588 1.00 22.10 O1- ATOM 0 H GLU A 42 29.405 -18.346 -6.029 1.00 14.31 H new ATOM 0 HA GLU A 42 29.795 -21.190 -5.439 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.670 -18.561 -4.260 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.610 -19.966 -3.215 1.00 42.11 H new ATOM 0 HG2 GLU A 42 31.975 -21.082 -5.227 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.395 -19.413 -5.560 1.00 72.32 H new ATOM 621 N PRO A 43 28.260 -21.416 -3.378 1.00 55.32 N ATOM 622 CA PRO A 43 27.147 -21.683 -2.462 1.00 0.45 C ATOM 623 C PRO A 43 27.116 -20.709 -1.290 1.00 61.23 C ATOM 624 O PRO A 43 28.069 -20.622 -0.516 1.00 55.41 O ATOM 625 CB PRO A 43 27.426 -23.105 -1.970 1.00 61.34 C ATOM 626 CG PRO A 43 28.899 -23.274 -2.116 1.00 40.42 C ATOM 627 CD PRO A 43 29.292 -22.465 -3.320 1.00 75.22 C ATOM 0 HA PRO A 43 26.179 -21.570 -2.951 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.114 -23.234 -0.934 1.00 61.34 H new ATOM 0 HB3 PRO A 43 26.882 -23.842 -2.561 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.422 -22.926 -1.225 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.160 -24.324 -2.249 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.290 -22.041 -3.211 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.300 -23.071 -4.226 1.00 75.22 H new ATOM 635 N PHE A 44 26.013 -19.979 -1.162 1.00 1.12 N ATOM 636 CA PHE A 44 25.857 -19.011 -0.083 1.00 62.35 C ATOM 637 C PHE A 44 24.852 -19.507 0.952 1.00 72.22 C ATOM 638 O PHE A 44 25.150 -19.568 2.145 1.00 41.04 O ATOM 639 CB PHE A 44 25.406 -17.660 -0.641 1.00 22.21 C ATOM 640 CG PHE A 44 25.330 -16.577 0.397 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.481 -16.093 0.998 1.00 54.50 C ATOM 642 CD2 PHE A 44 24.108 -16.043 0.771 1.00 44.44 C ATOM 643 CE1 PHE A 44 26.413 -15.097 1.954 1.00 13.33 C ATOM 644 CE2 PHE A 44 24.034 -15.047 1.726 1.00 23.30 C ATOM 645 CZ PHE A 44 25.188 -14.573 2.317 1.00 2.44 C ATOM 0 H PHE A 44 25.214 -20.040 -1.793 1.00 1.12 H new ATOM 0 HA PHE A 44 26.824 -18.890 0.404 1.00 62.35 H new ATOM 0 HB2 PHE A 44 26.096 -17.352 -1.426 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.427 -17.776 -1.105 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.442 -16.498 0.716 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.202 -16.409 0.311 1.00 44.44 H new ATOM 0 HE1 PHE A 44 27.317 -14.729 2.417 1.00 13.33 H new ATOM 0 HE2 PHE A 44 23.075 -14.640 2.010 1.00 23.30 H new ATOM 0 HZ PHE A 44 25.133 -13.793 3.062 1.00 2.44 H new ATOM 655 N ALA A 45 23.657 -19.860 0.486 1.00 74.54 N ATOM 656 CA ALA A 45 22.608 -20.353 1.370 1.00 71.13 C ATOM 657 C ALA A 45 21.565 -21.148 0.592 1.00 63.11 C ATOM 658 O ALA A 45 21.631 -21.247 -0.633 1.00 0.42 O ATOM 659 CB ALA A 45 21.951 -19.194 2.105 1.00 14.12 C ATOM 0 H ALA A 45 23.392 -19.813 -0.498 1.00 74.54 H new ATOM 0 HA ALA A 45 23.065 -21.020 2.101 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.169 -19.576 2.762 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.699 -18.669 2.699 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.513 -18.506 1.382 1.00 14.12 H new ATOM 665 N SER A 46 20.603 -21.715 1.313 1.00 60.52 N ATOM 666 CA SER A 46 19.548 -22.507 0.691 1.00 52.32 C ATOM 667 C SER A 46 18.468 -22.867 1.707 1.00 40.50 C ATOM 668 O SER A 46 18.732 -22.957 2.905 1.00 65.02 O ATOM 669 CB SER A 46 20.131 -23.781 0.077 1.00 70.12 C ATOM 670 OG SER A 46 19.193 -24.841 0.114 1.00 13.53 O ATOM 0 H SER A 46 20.532 -21.641 2.328 1.00 60.52 H new ATOM 0 HA SER A 46 19.095 -21.907 -0.098 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.427 -23.589 -0.954 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.032 -24.070 0.618 1.00 70.12 H new ATOM 0 HG SER A 46 19.590 -25.643 -0.286 1.00 13.53 H new ATOM 676 N GLY A 47 17.249 -23.072 1.217 1.00 11.14 N ATOM 677 CA GLY A 47 16.146 -23.420 2.095 1.00 1.53 C ATOM 678 C GLY A 47 14.835 -23.568 1.349 1.00 63.12 C ATOM 679 O GLY A 47 14.768 -23.329 0.143 1.00 62.23 O ATOM 0 H GLY A 47 17.005 -23.003 0.229 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.375 -24.354 2.609 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.040 -22.652 2.861 1.00 1.53 H new ATOM 683 N LYS A 48 13.789 -23.966 2.066 1.00 51.41 N ATOM 684 CA LYS A 48 12.473 -24.147 1.465 1.00 3.33 C ATOM 685 C LYS A 48 11.453 -23.207 2.096 1.00 14.54 C ATOM 686 O LYS A 48 11.653 -22.712 3.206 1.00 53.10 O ATOM 687 CB LYS A 48 12.013 -25.598 1.623 1.00 54.50 C ATOM 688 CG LYS A 48 12.881 -26.597 0.877 1.00 35.21 C ATOM 689 CD LYS A 48 12.458 -28.028 1.166 1.00 13.00 C ATOM 690 CE LYS A 48 13.448 -29.028 0.588 1.00 55.05 C ATOM 691 NZ LYS A 48 13.066 -30.432 0.907 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.828 -24.169 3.065 1.00 51.41 H new ATOM 0 HA LYS A 48 12.550 -23.910 0.404 1.00 3.33 H new ATOM 0 HB2 LYS A 48 12.007 -25.855 2.682 1.00 54.50 H new ATOM 0 HB3 LYS A 48 10.986 -25.685 1.268 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.817 -26.407 -0.194 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.924 -26.460 1.164 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.378 -28.175 2.243 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.469 -28.208 0.745 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.502 -28.903 -0.493 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.443 -28.824 0.982 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.765 -31.084 0.496 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 13.039 -30.559 1.939 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.127 -30.635 0.509 1.00 60.34 H new ATOM 705 N THR A 49 10.357 -22.964 1.384 1.00 35.43 N ATOM 706 CA THR A 49 9.304 -22.084 1.875 1.00 51.31 C ATOM 707 C THR A 49 8.265 -22.862 2.674 1.00 3.20 C ATOM 708 O THR A 49 8.274 -24.092 2.690 1.00 55.41 O ATOM 709 CB THR A 49 8.602 -21.348 0.719 1.00 40.10 C ATOM 710 OG1 THR A 49 7.925 -22.290 -0.121 1.00 34.44 O ATOM 711 CG2 THR A 49 9.605 -20.555 -0.106 1.00 72.54 C ATOM 0 H THR A 49 10.175 -23.365 0.464 1.00 35.43 H new ATOM 0 HA THR A 49 9.782 -21.351 2.524 1.00 51.31 H new ATOM 0 HB THR A 49 7.877 -20.655 1.145 1.00 40.10 H new ATOM 0 HG1 THR A 49 6.960 -22.124 -0.087 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.086 -20.044 -0.917 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.099 -19.820 0.530 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.350 -21.233 -0.523 1.00 72.54 H new ATOM 719 N SER A 50 7.369 -22.136 3.335 1.00 13.14 N ATOM 720 CA SER A 50 6.324 -22.760 4.138 1.00 23.01 C ATOM 721 C SER A 50 4.940 -22.324 3.663 1.00 61.40 C ATOM 722 O SER A 50 4.797 -21.748 2.585 1.00 4.13 O ATOM 723 CB SER A 50 6.503 -22.400 5.615 1.00 14.25 C ATOM 724 OG SER A 50 7.863 -22.506 6.003 1.00 22.21 O ATOM 0 H SER A 50 7.346 -21.116 3.330 1.00 13.14 H new ATOM 0 HA SER A 50 6.407 -23.840 4.021 1.00 23.01 H new ATOM 0 HB2 SER A 50 6.149 -21.384 5.791 1.00 14.25 H new ATOM 0 HB3 SER A 50 5.893 -23.061 6.231 1.00 14.25 H new ATOM 0 HG SER A 50 7.952 -22.270 6.950 1.00 22.21 H new ATOM 730 N GLU A 51 3.927 -22.604 4.476 1.00 40.23 N ATOM 731 CA GLU A 51 2.556 -22.243 4.137 1.00 60.32 C ATOM 732 C GLU A 51 2.428 -20.737 3.920 1.00 42.55 C ATOM 733 O GLU A 51 1.476 -20.269 3.295 1.00 73.13 O ATOM 734 CB GLU A 51 1.598 -22.692 5.243 1.00 71.34 C ATOM 735 CG GLU A 51 2.092 -22.372 6.644 1.00 5.20 C ATOM 736 CD GLU A 51 1.040 -21.681 7.489 1.00 50.43 C ATOM 737 OE1 GLU A 51 0.303 -20.832 6.944 1.00 51.42 O1- ATOM 738 OE2 GLU A 51 0.954 -21.989 8.697 1.00 12.23 O ATOM 0 H GLU A 51 4.030 -23.079 5.373 1.00 40.23 H new ATOM 0 HA GLU A 51 2.293 -22.751 3.209 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.630 -22.214 5.090 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.439 -23.767 5.160 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.400 -23.294 7.136 1.00 5.20 H new ATOM 0 HG3 GLU A 51 2.975 -21.736 6.578 1.00 5.20 H new ATOM 745 N SER A 52 3.391 -19.986 4.442 1.00 0.31 N ATOM 746 CA SER A 52 3.385 -18.534 4.310 1.00 24.21 C ATOM 747 C SER A 52 4.146 -18.098 3.062 1.00 24.50 C ATOM 748 O SER A 52 4.007 -16.967 2.599 1.00 12.24 O ATOM 749 CB SER A 52 4.003 -17.885 5.549 1.00 63.01 C ATOM 750 OG SER A 52 4.198 -16.495 5.354 1.00 15.33 O ATOM 0 H SER A 52 4.186 -20.359 4.961 1.00 0.31 H new ATOM 0 HA SER A 52 2.349 -18.208 4.216 1.00 24.21 H new ATOM 0 HB2 SER A 52 3.354 -18.047 6.410 1.00 63.01 H new ATOM 0 HB3 SER A 52 4.957 -18.361 5.775 1.00 63.01 H new ATOM 0 HG SER A 52 4.814 -16.153 6.034 1.00 15.33 H new ATOM 756 N GLY A 53 4.952 -19.007 2.520 1.00 45.14 N ATOM 757 CA GLY A 53 5.724 -18.700 1.331 1.00 60.22 C ATOM 758 C GLY A 53 6.986 -17.921 1.643 1.00 74.10 C ATOM 759 O GLY A 53 7.768 -17.608 0.746 1.00 12.51 O ATOM 0 H GLY A 53 5.083 -19.951 2.884 1.00 45.14 H new ATOM 0 HA2 GLY A 53 5.990 -19.628 0.825 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.108 -18.125 0.640 1.00 60.22 H new ATOM 763 N GLU A 54 7.184 -17.605 2.919 1.00 43.33 N ATOM 764 CA GLU A 54 8.360 -16.855 3.347 1.00 51.21 C ATOM 765 C GLU A 54 9.494 -17.798 3.737 1.00 32.34 C ATOM 766 O GLU A 54 9.270 -18.828 4.376 1.00 45.34 O ATOM 767 CB GLU A 54 8.009 -15.945 4.526 1.00 52.21 C ATOM 768 CG GLU A 54 7.506 -16.696 5.747 1.00 3.13 C ATOM 769 CD GLU A 54 7.148 -15.770 6.894 1.00 12.04 C ATOM 770 OE1 GLU A 54 6.109 -15.084 6.799 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 7.906 -15.733 7.885 1.00 3.21 O ATOM 0 H GLU A 54 6.546 -17.856 3.674 1.00 43.33 H new ATOM 0 HA GLU A 54 8.694 -16.241 2.510 1.00 51.21 H new ATOM 0 HB2 GLU A 54 8.891 -15.367 4.803 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.248 -15.232 4.209 1.00 52.21 H new ATOM 0 HG2 GLU A 54 6.630 -17.284 5.472 1.00 3.13 H new ATOM 0 HG3 GLU A 54 8.271 -17.399 6.077 1.00 3.13 H new ATOM 778 N LEU A 55 10.712 -17.440 3.350 1.00 2.41 N ATOM 779 CA LEU A 55 11.884 -18.253 3.658 1.00 22.44 C ATOM 780 C LEU A 55 13.005 -17.396 4.238 1.00 75.42 C ATOM 781 O LEU A 55 13.667 -16.649 3.516 1.00 42.00 O ATOM 782 CB LEU A 55 12.375 -18.973 2.401 1.00 1.43 C ATOM 783 CG LEU A 55 13.750 -19.635 2.501 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.807 -20.570 3.698 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.074 -20.386 1.218 1.00 12.22 C ATOM 0 H LEU A 55 10.915 -16.591 2.822 1.00 2.41 H new ATOM 0 HA LEU A 55 11.595 -18.994 4.404 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.644 -19.737 2.135 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.398 -18.255 1.581 1.00 1.43 H new ATOM 0 HG LEU A 55 14.499 -18.855 2.641 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.793 -21.032 3.752 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.620 -20.004 4.611 1.00 65.40 H new ATOM 0 HD13 LEU A 55 13.049 -21.346 3.590 1.00 65.40 H new ATOM 0 HD21 LEU A 55 15.056 -20.851 1.307 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.322 -21.156 1.047 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.077 -19.690 0.380 1.00 12.22 H new ATOM 797 N HIS A 56 13.215 -17.510 5.546 1.00 62.22 N ATOM 798 CA HIS A 56 14.257 -16.747 6.222 1.00 52.21 C ATOM 799 C HIS A 56 15.218 -17.675 6.959 1.00 65.14 C ATOM 800 O HIS A 56 14.992 -18.882 7.040 1.00 61.43 O ATOM 801 CB HIS A 56 13.637 -15.753 7.203 1.00 44.24 C ATOM 802 CG HIS A 56 12.548 -16.344 8.046 1.00 31.34 C ATOM 803 ND1 HIS A 56 12.749 -16.782 9.338 1.00 24.42 N ATOM 804 CD2 HIS A 56 11.241 -16.565 7.775 1.00 65.14 C ATOM 805 CE1 HIS A 56 11.613 -17.249 9.825 1.00 13.10 C ATOM 806 NE2 HIS A 56 10.682 -17.129 8.895 1.00 75.35 N ATOM 0 H HIS A 56 12.677 -18.123 6.158 1.00 62.22 H new ATOM 0 HA HIS A 56 14.818 -16.197 5.466 1.00 52.21 H new ATOM 0 HB2 HIS A 56 14.419 -15.363 7.855 1.00 44.24 H new ATOM 0 HB3 HIS A 56 13.235 -14.907 6.645 1.00 44.24 H new ATOM 0 HD2 HIS A 56 10.732 -16.340 6.850 1.00 65.14 H new ATOM 0 HE1 HIS A 56 11.470 -17.659 10.814 1.00 13.10 H new ATOM 0 HE2 HIS A 56 9.706 -17.410 8.993 1.00 75.35 H new ATOM 814 N GLY A 57 16.293 -17.104 7.495 1.00 54.50 N ATOM 815 CA GLY A 57 17.271 -17.895 8.217 1.00 51.11 C ATOM 816 C GLY A 57 18.332 -18.479 7.305 1.00 44.14 C ATOM 817 O GLY A 57 19.046 -19.408 7.685 1.00 3.50 O ATOM 0 H GLY A 57 16.503 -16.107 7.442 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.749 -17.273 8.974 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.763 -18.704 8.743 1.00 51.11 H new ATOM 821 N LEU A 58 18.436 -17.935 6.098 1.00 1.11 N ATOM 822 CA LEU A 58 19.417 -18.407 5.127 1.00 53.45 C ATOM 823 C LEU A 58 20.837 -18.106 5.597 1.00 62.15 C ATOM 824 O LEU A 58 21.658 -19.011 5.749 1.00 35.35 O ATOM 825 CB LEU A 58 19.169 -17.759 3.765 1.00 64.24 C ATOM 826 CG LEU A 58 18.128 -18.439 2.876 1.00 4.24 C ATOM 827 CD1 LEU A 58 17.942 -17.664 1.581 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.534 -19.877 2.585 1.00 62.04 C ATOM 0 H LEU A 58 17.853 -17.166 5.768 1.00 1.11 H new ATOM 0 HA LEU A 58 19.307 -19.487 5.033 1.00 53.45 H new ATOM 0 HB2 LEU A 58 18.859 -16.727 3.928 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.114 -17.727 3.223 1.00 64.24 H new ATOM 0 HG LEU A 58 17.177 -18.450 3.408 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.197 -18.164 0.962 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.606 -16.652 1.808 1.00 55.53 H new ATOM 0 HD13 LEU A 58 18.890 -17.620 1.044 1.00 55.53 H new ATOM 0 HD21 LEU A 58 17.782 -20.346 1.951 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.497 -19.887 2.074 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.615 -20.429 3.521 1.00 62.04 H new ATOM 840 N THR A 59 21.119 -16.828 5.827 1.00 11.10 N ATOM 841 CA THR A 59 22.438 -16.406 6.281 1.00 32.02 C ATOM 842 C THR A 59 22.334 -15.294 7.319 1.00 65.34 C ATOM 843 O THR A 59 21.236 -14.882 7.695 1.00 12.31 O ATOM 844 CB THR A 59 23.307 -15.916 5.106 1.00 50.44 C ATOM 845 OG1 THR A 59 22.537 -15.065 4.251 1.00 55.13 O ATOM 846 CG2 THR A 59 23.847 -17.092 4.306 1.00 44.44 C ATOM 0 H THR A 59 20.451 -16.067 5.706 1.00 11.10 H new ATOM 0 HA THR A 59 22.909 -17.278 6.734 1.00 32.02 H new ATOM 0 HB THR A 59 24.149 -15.356 5.513 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.123 -14.660 3.578 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.457 -16.722 3.482 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.456 -17.724 4.953 1.00 44.44 H new ATOM 0 HG23 THR A 59 23.016 -17.674 3.909 1.00 44.44 H new ATOM 854 N THR A 60 23.485 -14.811 7.779 1.00 54.44 N ATOM 855 CA THR A 60 23.523 -13.746 8.773 1.00 13.13 C ATOM 856 C THR A 60 24.093 -12.462 8.183 1.00 21.15 C ATOM 857 O THR A 60 24.620 -12.460 7.071 1.00 14.52 O ATOM 858 CB THR A 60 24.363 -14.152 9.998 1.00 25.41 C ATOM 859 OG1 THR A 60 25.660 -14.590 9.580 1.00 64.13 O ATOM 860 CG2 THR A 60 23.677 -15.261 10.782 1.00 52.01 C ATOM 0 H THR A 60 24.402 -15.141 7.479 1.00 54.44 H new ATOM 0 HA THR A 60 22.494 -13.571 9.088 1.00 13.13 H new ATOM 0 HB THR A 60 24.465 -13.281 10.645 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.188 -14.845 10.365 1.00 64.13 H new ATOM 0 HG21 THR A 60 24.289 -15.531 11.642 1.00 52.01 H new ATOM 0 HG22 THR A 60 22.702 -14.915 11.125 1.00 52.01 H new ATOM 0 HG23 THR A 60 23.548 -16.133 10.141 1.00 52.01 H new ATOM 868 N GLU A 61 23.985 -11.371 8.935 1.00 22.20 N ATOM 869 CA GLU A 61 24.492 -10.080 8.485 1.00 34.44 C ATOM 870 C GLU A 61 26.017 -10.051 8.520 1.00 75.15 C ATOM 871 O GLU A 61 26.653 -9.346 7.739 1.00 20.20 O ATOM 872 CB GLU A 61 23.929 -8.955 9.354 1.00 63.34 C ATOM 873 CG GLU A 61 23.916 -7.601 8.665 1.00 15.31 C ATOM 874 CD GLU A 61 23.766 -6.450 9.642 1.00 74.31 C ATOM 875 OE1 GLU A 61 24.197 -6.600 10.804 1.00 53.10 O1- ATOM 876 OE2 GLU A 61 23.219 -5.401 9.244 1.00 31.33 O ATOM 0 H GLU A 61 23.551 -11.356 9.858 1.00 22.20 H new ATOM 0 HA GLU A 61 24.167 -9.931 7.455 1.00 34.44 H new ATOM 0 HB2 GLU A 61 22.912 -9.211 9.651 1.00 63.34 H new ATOM 0 HB3 GLU A 61 24.520 -8.883 10.267 1.00 63.34 H new ATOM 0 HG2 GLU A 61 24.840 -7.476 8.101 1.00 15.31 H new ATOM 0 HG3 GLU A 61 23.097 -7.571 7.946 1.00 15.31 H new ATOM 883 N GLU A 62 26.597 -10.824 9.434 1.00 42.53 N ATOM 884 CA GLU A 62 28.047 -10.885 9.573 1.00 43.33 C ATOM 885 C GLU A 62 28.666 -11.714 8.451 1.00 65.32 C ATOM 886 O GLU A 62 29.820 -11.510 8.080 1.00 62.24 O ATOM 887 CB GLU A 62 28.426 -11.480 10.931 1.00 54.13 C ATOM 888 CG GLU A 62 27.622 -10.914 12.089 1.00 32.32 C ATOM 889 CD GLU A 62 28.500 -10.424 13.225 1.00 63.21 C ATOM 890 OE1 GLU A 62 28.908 -11.256 14.061 1.00 22.34 O1- ATOM 891 OE2 GLU A 62 28.778 -9.207 13.277 1.00 12.42 O ATOM 0 H GLU A 62 26.085 -11.416 10.088 1.00 42.53 H new ATOM 0 HA GLU A 62 28.437 -9.869 9.508 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.286 -12.560 10.897 1.00 54.13 H new ATOM 0 HB3 GLU A 62 29.486 -11.301 11.114 1.00 54.13 H new ATOM 0 HG2 GLU A 62 27.006 -10.090 11.730 1.00 32.32 H new ATOM 0 HG3 GLU A 62 26.943 -11.680 12.464 1.00 32.32 H new ATOM 898 N GLU A 63 27.888 -12.652 7.918 1.00 72.05 N ATOM 899 CA GLU A 63 28.360 -13.513 6.840 1.00 4.24 C ATOM 900 C GLU A 63 28.028 -12.912 5.477 1.00 63.22 C ATOM 901 O GLU A 63 28.747 -13.123 4.500 1.00 24.32 O ATOM 902 CB GLU A 63 27.739 -14.906 6.961 1.00 2.20 C ATOM 903 CG GLU A 63 28.027 -15.806 5.770 1.00 63.03 C ATOM 904 CD GLU A 63 29.509 -16.056 5.573 1.00 12.25 C ATOM 905 OE1 GLU A 63 30.181 -16.441 6.554 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 29.998 -15.869 4.440 1.00 13.21 O ATOM 0 H GLU A 63 26.929 -12.834 8.215 1.00 72.05 H new ATOM 0 HA GLU A 63 29.443 -13.597 6.925 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.113 -15.384 7.866 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.660 -14.805 7.077 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.517 -16.759 5.908 1.00 63.03 H new ATOM 0 HG3 GLU A 63 27.616 -15.352 4.868 1.00 63.03 H new ATOM 913 N PHE A 64 26.932 -12.162 5.421 1.00 65.55 N ATOM 914 CA PHE A 64 26.502 -11.531 4.178 1.00 2.44 C ATOM 915 C PHE A 64 27.502 -10.468 3.732 1.00 64.41 C ATOM 916 O PHE A 64 27.700 -9.461 4.412 1.00 23.03 O ATOM 917 CB PHE A 64 25.118 -10.902 4.354 1.00 11.52 C ATOM 918 CG PHE A 64 24.397 -10.669 3.056 1.00 62.32 C ATOM 919 CD1 PHE A 64 24.683 -9.560 2.278 1.00 2.21 C ATOM 920 CD2 PHE A 64 23.431 -11.561 2.616 1.00 23.14 C ATOM 921 CE1 PHE A 64 24.021 -9.344 1.084 1.00 22.10 C ATOM 922 CE2 PHE A 64 22.766 -11.349 1.423 1.00 23.23 C ATOM 923 CZ PHE A 64 23.061 -10.240 0.656 1.00 20.10 C ATOM 0 H PHE A 64 26.326 -11.976 6.220 1.00 65.55 H new ATOM 0 HA PHE A 64 26.450 -12.301 3.408 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.511 -11.549 4.987 1.00 11.52 H new ATOM 0 HB3 PHE A 64 25.223 -9.952 4.878 1.00 11.52 H new ATOM 0 HD1 PHE A 64 25.432 -8.855 2.608 1.00 2.21 H new ATOM 0 HD2 PHE A 64 23.196 -12.431 3.212 1.00 23.14 H new ATOM 0 HE1 PHE A 64 24.254 -8.475 0.486 1.00 22.10 H new ATOM 0 HE2 PHE A 64 22.016 -12.051 1.091 1.00 23.23 H new ATOM 0 HZ PHE A 64 22.542 -10.073 -0.277 1.00 20.10 H new ATOM 933 N VAL A 65 28.132 -10.702 2.585 1.00 21.05 N ATOM 934 CA VAL A 65 29.112 -9.766 2.047 1.00 15.40 C ATOM 935 C VAL A 65 28.562 -9.033 0.830 1.00 44.42 C ATOM 936 O VAL A 65 27.441 -9.292 0.391 1.00 15.41 O ATOM 937 CB VAL A 65 30.417 -10.484 1.654 1.00 4.22 C ATOM 938 CG1 VAL A 65 31.202 -10.885 2.893 1.00 44.35 C ATOM 939 CG2 VAL A 65 30.116 -11.698 0.787 1.00 3.14 C ATOM 0 H VAL A 65 27.981 -11.531 2.011 1.00 21.05 H new ATOM 0 HA VAL A 65 29.326 -9.044 2.835 1.00 15.40 H new ATOM 0 HB VAL A 65 31.030 -9.794 1.074 1.00 4.22 H new ATOM 0 HG11 VAL A 65 32.120 -11.391 2.594 1.00 44.35 H new ATOM 0 HG12 VAL A 65 31.450 -9.995 3.471 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.600 -11.558 3.504 1.00 44.35 H new ATOM 0 HG21 VAL A 65 31.049 -12.194 0.518 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.483 -12.392 1.340 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.601 -11.379 -0.119 1.00 3.14 H new ATOM 949 N GLU A 66 29.357 -8.116 0.288 1.00 71.12 N ATOM 950 CA GLU A 66 28.948 -7.345 -0.881 1.00 72.12 C ATOM 951 C GLU A 66 29.249 -8.106 -2.168 1.00 23.14 C ATOM 952 O GLU A 66 30.016 -9.068 -2.169 1.00 1.30 O ATOM 953 CB GLU A 66 29.658 -5.990 -0.899 1.00 3.54 C ATOM 954 CG GLU A 66 31.173 -6.095 -0.828 1.00 73.15 C ATOM 955 CD GLU A 66 31.858 -4.750 -0.965 1.00 11.41 C ATOM 956 OE1 GLU A 66 31.150 -3.743 -1.175 1.00 4.44 O1- ATOM 957 OE2 GLU A 66 33.101 -4.704 -0.863 1.00 63.51 O ATOM 0 H GLU A 66 30.287 -7.889 0.639 1.00 71.12 H new ATOM 0 HA GLU A 66 27.872 -7.183 -0.819 1.00 72.12 H new ATOM 0 HB2 GLU A 66 29.381 -5.457 -1.808 1.00 3.54 H new ATOM 0 HB3 GLU A 66 29.304 -5.393 -0.059 1.00 3.54 H new ATOM 0 HG2 GLU A 66 31.458 -6.549 0.121 1.00 73.15 H new ATOM 0 HG3 GLU A 66 31.525 -6.760 -1.617 1.00 73.15 H new ATOM 964 N GLY A 67 28.636 -7.669 -3.264 1.00 24.52 N ATOM 965 CA GLY A 67 28.850 -8.321 -4.543 1.00 43.11 C ATOM 966 C GLY A 67 27.551 -8.742 -5.203 1.00 53.01 C ATOM 967 O GLY A 67 26.473 -8.300 -4.805 1.00 30.33 O ATOM 0 H GLY A 67 27.995 -6.876 -3.289 1.00 24.52 H new ATOM 0 HA2 GLY A 67 29.389 -7.645 -5.207 1.00 43.11 H new ATOM 0 HA3 GLY A 67 29.482 -9.197 -4.400 1.00 43.11 H new ATOM 971 N ILE A 68 27.654 -9.598 -6.214 1.00 63.14 N ATOM 972 CA ILE A 68 26.479 -10.078 -6.931 1.00 74.20 C ATOM 973 C ILE A 68 26.028 -11.435 -6.399 1.00 31.45 C ATOM 974 O ILE A 68 26.844 -12.243 -5.958 1.00 12.54 O ATOM 975 CB ILE A 68 26.750 -10.196 -8.442 1.00 73.34 C ATOM 976 CG1 ILE A 68 27.414 -8.920 -8.965 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.455 -10.471 -9.192 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.920 -9.019 -9.060 1.00 72.12 C ATOM 0 H ILE A 68 28.539 -9.973 -6.555 1.00 63.14 H new ATOM 0 HA ILE A 68 25.689 -9.345 -6.769 1.00 74.20 H new ATOM 0 HB ILE A 68 27.429 -11.032 -8.610 1.00 73.34 H new ATOM 0 HG12 ILE A 68 27.010 -8.687 -9.950 1.00 50.12 H new ATOM 0 HG13 ILE A 68 27.153 -8.089 -8.309 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.663 -10.552 -10.259 1.00 20.00 H new ATOM 0 HG22 ILE A 68 25.019 -11.404 -8.835 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.754 -9.654 -9.020 1.00 20.00 H new ATOM 0 HD11 ILE A 68 29.323 -8.079 -9.438 1.00 72.12 H new ATOM 0 HD12 ILE A 68 29.334 -9.221 -8.072 1.00 72.12 H new ATOM 0 HD13 ILE A 68 29.189 -9.828 -9.739 1.00 72.12 H new ATOM 990 N TYR A 69 24.722 -11.677 -6.446 1.00 70.53 N ATOM 991 CA TYR A 69 24.161 -12.936 -5.970 1.00 5.55 C ATOM 992 C TYR A 69 23.278 -13.577 -7.036 1.00 31.10 C ATOM 993 O TYR A 69 22.890 -12.931 -8.009 1.00 43.33 O ATOM 994 CB TYR A 69 23.352 -12.706 -4.692 1.00 75.15 C ATOM 995 CG TYR A 69 24.208 -12.454 -3.470 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.628 -11.171 -3.144 1.00 43.05 C ATOM 997 CD2 TYR A 69 24.595 -13.501 -2.643 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.410 -10.937 -2.030 1.00 42.14 C ATOM 999 CE2 TYR A 69 25.376 -13.276 -1.526 1.00 72.34 C ATOM 1000 CZ TYR A 69 25.781 -11.994 -1.223 1.00 12.51 C ATOM 1001 OH TYR A 69 26.560 -11.765 -0.112 1.00 52.05 O ATOM 0 H TYR A 69 24.033 -11.018 -6.809 1.00 70.53 H new ATOM 0 HA TYR A 69 24.987 -13.614 -5.753 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.687 -11.855 -4.841 1.00 75.15 H new ATOM 0 HB3 TYR A 69 22.721 -13.576 -4.510 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.338 -10.342 -3.773 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.280 -14.507 -2.877 1.00 31.25 H new ATOM 0 HE1 TYR A 69 25.729 -9.933 -1.792 1.00 42.14 H new ATOM 0 HE2 TYR A 69 25.668 -14.101 -0.893 1.00 72.34 H new ATOM 0 HH TYR A 69 26.878 -10.838 -0.121 1.00 52.05 H new ATOM 1011 N LYS A 70 22.964 -14.854 -6.843 1.00 53.33 N ATOM 1012 CA LYS A 70 22.125 -15.585 -7.785 1.00 53.10 C ATOM 1013 C LYS A 70 21.246 -16.599 -7.059 1.00 14.23 C ATOM 1014 O LYS A 70 21.745 -17.547 -6.453 1.00 71.33 O ATOM 1015 CB LYS A 70 22.992 -16.299 -8.825 1.00 4.23 C ATOM 1016 CG LYS A 70 22.229 -16.721 -10.068 1.00 73.02 C ATOM 1017 CD LYS A 70 22.592 -18.133 -10.493 1.00 24.44 C ATOM 1018 CE LYS A 70 22.126 -19.160 -9.471 1.00 24.25 C ATOM 1019 NZ LYS A 70 20.666 -19.052 -9.202 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.278 -15.404 -6.043 1.00 53.33 H new ATOM 0 HA LYS A 70 21.479 -14.866 -8.290 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.810 -15.640 -9.117 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.441 -17.181 -8.368 1.00 4.23 H new ATOM 0 HG2 LYS A 70 21.158 -16.662 -9.876 1.00 73.02 H new ATOM 0 HG3 LYS A 70 22.445 -16.028 -10.881 1.00 73.02 H new ATOM 0 HD2 LYS A 70 22.140 -18.350 -11.461 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.672 -18.209 -10.621 1.00 24.44 H new ATOM 0 HE2 LYS A 70 22.355 -20.162 -9.833 1.00 24.25 H new ATOM 0 HE3 LYS A 70 22.678 -19.023 -8.541 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 20.398 -19.734 -8.464 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 20.443 -18.088 -8.881 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 20.136 -19.258 -10.073 1.00 5.14 H new ATOM 1033 N VAL A 71 19.934 -16.392 -7.122 1.00 73.11 N ATOM 1034 CA VAL A 71 18.987 -17.288 -6.472 1.00 34.45 C ATOM 1035 C VAL A 71 18.370 -18.258 -7.476 1.00 63.22 C ATOM 1036 O VAL A 71 18.095 -17.892 -8.617 1.00 63.42 O ATOM 1037 CB VAL A 71 17.859 -16.504 -5.775 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.834 -17.457 -5.181 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.432 -15.588 -4.703 1.00 13.51 C ATOM 0 H VAL A 71 19.504 -15.611 -7.617 1.00 73.11 H new ATOM 0 HA VAL A 71 19.546 -17.849 -5.723 1.00 34.45 H new ATOM 0 HB VAL A 71 17.356 -15.886 -6.519 1.00 32.41 H new ATOM 0 HG11 VAL A 71 16.045 -16.885 -4.693 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.402 -18.067 -5.974 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.319 -18.103 -4.449 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.622 -15.041 -4.220 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.961 -16.184 -3.959 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.124 -14.881 -5.160 1.00 13.51 H new ATOM 1049 N GLU A 72 18.158 -19.496 -7.039 1.00 52.24 N ATOM 1050 CA GLU A 72 17.575 -20.518 -7.901 1.00 34.02 C ATOM 1051 C GLU A 72 16.356 -21.156 -7.239 1.00 45.41 C ATOM 1052 O GLU A 72 16.470 -21.797 -6.194 1.00 32.53 O ATOM 1053 CB GLU A 72 18.612 -21.593 -8.228 1.00 24.24 C ATOM 1054 CG GLU A 72 19.016 -21.623 -9.692 1.00 50.22 C ATOM 1055 CD GLU A 72 18.301 -22.709 -10.473 1.00 65.25 C ATOM 1056 OE1 GLU A 72 17.092 -22.910 -10.238 1.00 13.41 O ATOM 1057 OE2 GLU A 72 18.953 -23.356 -11.320 1.00 24.10 O1- ATOM 0 H GLU A 72 18.381 -19.815 -6.096 1.00 52.24 H new ATOM 0 HA GLU A 72 17.256 -20.038 -8.826 1.00 34.02 H new ATOM 0 HB2 GLU A 72 19.500 -21.427 -7.618 1.00 24.24 H new ATOM 0 HB3 GLU A 72 18.212 -22.568 -7.950 1.00 24.24 H new ATOM 0 HG2 GLU A 72 18.802 -20.655 -10.144 1.00 50.22 H new ATOM 0 HG3 GLU A 72 20.093 -21.777 -9.765 1.00 50.22 H new ATOM 1064 N ILE A 73 15.193 -20.974 -7.855 1.00 61.12 N ATOM 1065 CA ILE A 73 13.955 -21.532 -7.327 1.00 75.21 C ATOM 1066 C ILE A 73 13.516 -22.753 -8.127 1.00 61.50 C ATOM 1067 O ILE A 73 13.317 -22.675 -9.340 1.00 61.15 O ATOM 1068 CB ILE A 73 12.819 -20.490 -7.336 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.301 -19.174 -6.725 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.609 -21.020 -6.582 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.239 -18.096 -6.697 1.00 64.32 C ATOM 0 H ILE A 73 15.082 -20.445 -8.720 1.00 61.12 H new ATOM 0 HA ILE A 73 14.157 -21.829 -6.298 1.00 75.21 H new ATOM 0 HB ILE A 73 12.525 -20.302 -8.369 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.646 -19.360 -5.708 1.00 2.24 H new ATOM 0 HG13 ILE A 73 14.159 -18.813 -7.291 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.815 -20.273 -6.597 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.256 -21.935 -7.058 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.888 -21.232 -5.550 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.651 -17.191 -6.251 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.911 -17.882 -7.714 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.389 -18.438 -6.106 1.00 64.32 H new ATOM 1083 N ASP A 74 13.364 -23.880 -7.441 1.00 20.43 N ATOM 1084 CA ASP A 74 12.947 -25.119 -8.088 1.00 51.21 C ATOM 1085 C ASP A 74 11.434 -25.294 -7.999 1.00 25.22 C ATOM 1086 O ASP A 74 10.930 -26.008 -7.131 1.00 75.54 O ATOM 1087 CB ASP A 74 13.650 -26.316 -7.448 1.00 1.22 C ATOM 1088 CG ASP A 74 15.033 -26.551 -8.023 1.00 72.00 C ATOM 1089 OD1 ASP A 74 15.648 -25.577 -8.506 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 15.501 -27.708 -7.989 1.00 5.22 O ATOM 0 H ASP A 74 13.523 -23.962 -6.437 1.00 20.43 H new ATOM 0 HA ASP A 74 13.228 -25.064 -9.140 1.00 51.21 H new ATOM 0 HB2 ASP A 74 13.729 -26.155 -6.373 1.00 1.22 H new ATOM 0 HB3 ASP A 74 13.043 -27.210 -7.592 1.00 1.22 H new ATOM 1095 N THR A 75 10.712 -24.637 -8.903 1.00 25.23 N ATOM 1096 CA THR A 75 9.257 -24.718 -8.924 1.00 73.01 C ATOM 1097 C THR A 75 8.790 -26.077 -9.438 1.00 65.31 C ATOM 1098 O THR A 75 7.696 -26.534 -9.106 1.00 53.44 O ATOM 1099 CB THR A 75 8.646 -23.612 -9.806 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.819 -23.937 -11.189 1.00 31.11 O ATOM 1101 CG2 THR A 75 9.292 -22.268 -9.510 1.00 30.20 C ATOM 0 H THR A 75 11.112 -24.043 -9.630 1.00 25.23 H new ATOM 0 HA THR A 75 8.917 -24.584 -7.897 1.00 73.01 H new ATOM 0 HB THR A 75 7.582 -23.543 -9.581 1.00 32.14 H new ATOM 0 HG1 THR A 75 8.098 -24.534 -11.477 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.845 -21.502 -10.144 1.00 30.20 H new ATOM 0 HG22 THR A 75 9.133 -22.011 -8.463 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.362 -22.326 -9.711 1.00 30.20 H new ATOM 1109 N LYS A 76 9.627 -26.717 -10.248 1.00 33.31 N ATOM 1110 CA LYS A 76 9.301 -28.024 -10.805 1.00 53.53 C ATOM 1111 C LYS A 76 8.809 -28.973 -9.717 1.00 52.22 C ATOM 1112 O LYS A 76 7.974 -29.842 -9.968 1.00 33.40 O ATOM 1113 CB LYS A 76 10.524 -28.623 -11.503 1.00 42.11 C ATOM 1114 CG LYS A 76 11.706 -28.843 -10.576 1.00 35.11 C ATOM 1115 CD LYS A 76 11.704 -30.245 -9.991 1.00 64.45 C ATOM 1116 CE LYS A 76 12.558 -31.195 -10.818 1.00 4.34 C ATOM 1117 NZ LYS A 76 12.354 -32.614 -10.417 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.536 -26.352 -10.533 1.00 33.31 H new ATOM 0 HA LYS A 76 8.502 -27.891 -11.534 1.00 53.53 H new ATOM 0 HB2 LYS A 76 10.244 -29.575 -11.954 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.828 -27.963 -12.315 1.00 42.11 H new ATOM 0 HG2 LYS A 76 12.634 -28.678 -11.123 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.677 -28.111 -9.769 1.00 35.11 H new ATOM 0 HD2 LYS A 76 12.079 -30.214 -8.968 1.00 64.45 H new ATOM 0 HD3 LYS A 76 10.681 -30.620 -9.945 1.00 64.45 H new ATOM 0 HE2 LYS A 76 12.314 -31.077 -11.874 1.00 4.34 H new ATOM 0 HE3 LYS A 76 13.610 -30.932 -10.702 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 12.953 -33.230 -11.003 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 12.611 -32.732 -9.416 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 11.356 -32.873 -10.551 1.00 11.00 H new ATOM 1131 N SER A 77 9.330 -28.800 -8.507 1.00 50.35 N ATOM 1132 CA SER A 77 8.945 -29.641 -7.380 1.00 24.21 C ATOM 1133 C SER A 77 7.560 -29.262 -6.866 1.00 74.33 C ATOM 1134 O SER A 77 6.673 -30.108 -6.755 1.00 24.13 O ATOM 1135 CB SER A 77 9.972 -29.521 -6.251 1.00 2.11 C ATOM 1136 OG SER A 77 10.494 -30.791 -5.900 1.00 64.04 O ATOM 0 H SER A 77 10.021 -28.084 -8.282 1.00 50.35 H new ATOM 0 HA SER A 77 8.914 -30.675 -7.725 1.00 24.21 H new ATOM 0 HB2 SER A 77 10.784 -28.864 -6.562 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.507 -29.062 -5.379 1.00 2.11 H new ATOM 0 HG SER A 77 11.149 -30.687 -5.178 1.00 64.04 H new ATOM 1142 N TYR A 78 7.383 -27.983 -6.553 1.00 62.35 N ATOM 1143 CA TYR A 78 6.107 -27.489 -6.048 1.00 72.42 C ATOM 1144 C TYR A 78 4.976 -27.804 -7.023 1.00 51.41 C ATOM 1145 O TYR A 78 3.818 -27.934 -6.627 1.00 23.54 O ATOM 1146 CB TYR A 78 6.180 -25.982 -5.804 1.00 12.14 C ATOM 1147 CG TYR A 78 4.839 -25.351 -5.503 1.00 1.42 C ATOM 1148 CD1 TYR A 78 4.109 -25.725 -4.382 1.00 30.23 C ATOM 1149 CD2 TYR A 78 4.303 -24.380 -6.340 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.883 -25.152 -4.105 1.00 24.52 C ATOM 1151 CE2 TYR A 78 3.079 -23.800 -6.069 1.00 34.34 C ATOM 1152 CZ TYR A 78 2.372 -24.190 -4.950 1.00 21.50 C ATOM 1153 OH TYR A 78 1.153 -23.616 -4.676 1.00 72.23 O ATOM 0 H TYR A 78 8.107 -27.270 -6.640 1.00 62.35 H new ATOM 0 HA TYR A 78 5.899 -27.993 -5.104 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.857 -25.790 -4.972 1.00 12.14 H new ATOM 0 HB3 TYR A 78 6.609 -25.501 -6.683 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.507 -26.476 -3.716 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.853 -24.073 -7.218 1.00 70.41 H new ATOM 0 HE1 TYR A 78 2.327 -25.456 -3.230 1.00 24.52 H new ATOM 0 HE2 TYR A 78 2.678 -23.045 -6.729 1.00 34.34 H new ATOM 0 HH TYR A 78 1.139 -22.698 -5.020 1.00 72.23 H new ATOM 1163 N TRP A 79 5.322 -27.924 -8.300 1.00 73.24 N ATOM 1164 CA TRP A 79 4.338 -28.224 -9.333 1.00 62.55 C ATOM 1165 C TRP A 79 3.946 -29.698 -9.301 1.00 11.32 C ATOM 1166 O TRP A 79 2.872 -30.075 -9.771 1.00 34.45 O ATOM 1167 CB TRP A 79 4.889 -27.860 -10.713 1.00 35.20 C ATOM 1168 CG TRP A 79 5.028 -26.383 -10.926 1.00 34.11 C ATOM 1169 CD1 TRP A 79 6.137 -25.720 -11.368 1.00 52.43 C ATOM 1170 CD2 TRP A 79 4.025 -25.387 -10.704 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.883 -24.372 -11.435 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.594 -24.141 -11.033 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.700 -25.426 -10.261 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.884 -22.948 -10.932 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 1.996 -24.240 -10.161 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.588 -23.015 -10.496 1.00 2.41 C ATOM 0 H TRP A 79 6.276 -27.818 -8.644 1.00 73.24 H new ATOM 0 HA TRP A 79 3.448 -27.626 -9.136 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.863 -28.332 -10.844 1.00 35.20 H new ATOM 0 HB3 TRP A 79 4.231 -28.270 -11.479 1.00 35.20 H new ATOM 0 HD1 TRP A 79 7.076 -26.187 -11.627 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.547 -23.658 -11.736 1.00 13.12 H new ATOM 0 HE3 TRP A 79 2.234 -26.365 -10.002 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.339 -22.003 -11.189 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 0.972 -24.258 -9.819 1.00 34.34 H new ATOM 0 HH2 TRP A 79 2.011 -22.106 -10.409 1.00 2.41 H new ATOM 1187 N LYS A 80 4.823 -30.526 -8.745 1.00 14.35 N ATOM 1188 CA LYS A 80 4.569 -31.959 -8.649 1.00 74.13 C ATOM 1189 C LYS A 80 3.619 -32.268 -7.496 1.00 72.35 C ATOM 1190 O LYS A 80 2.991 -33.325 -7.464 1.00 42.42 O ATOM 1191 CB LYS A 80 5.883 -32.720 -8.460 1.00 2.35 C ATOM 1192 CG LYS A 80 6.248 -32.948 -7.005 1.00 11.13 C ATOM 1193 CD LYS A 80 5.736 -34.289 -6.504 1.00 4.54 C ATOM 1194 CE LYS A 80 6.840 -35.335 -6.483 1.00 14.23 C ATOM 1195 NZ LYS A 80 7.689 -35.220 -5.265 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.717 -30.229 -8.353 1.00 14.35 H new ATOM 0 HA LYS A 80 4.100 -32.282 -9.579 1.00 74.13 H new ATOM 0 HB2 LYS A 80 5.811 -33.684 -8.963 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.687 -32.167 -8.945 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.331 -32.905 -6.890 1.00 11.13 H new ATOM 0 HG3 LYS A 80 5.831 -32.147 -6.395 1.00 11.13 H new ATOM 0 HD2 LYS A 80 5.326 -34.171 -5.501 1.00 4.54 H new ATOM 0 HD3 LYS A 80 4.922 -34.631 -7.143 1.00 4.54 H new ATOM 0 HE2 LYS A 80 6.398 -36.331 -6.525 1.00 14.23 H new ATOM 0 HE3 LYS A 80 7.462 -35.225 -7.371 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 8.430 -35.950 -5.288 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 8.131 -34.279 -5.238 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 7.100 -35.351 -4.418 1.00 15.12 H new ATOM 1209 N ALA A 81 3.520 -31.337 -6.553 1.00 25.24 N ATOM 1210 CA ALA A 81 2.645 -31.509 -5.399 1.00 60.14 C ATOM 1211 C ALA A 81 1.184 -31.601 -5.828 1.00 25.04 C ATOM 1212 O ALA A 81 0.403 -32.357 -5.248 1.00 75.40 O ATOM 1213 CB ALA A 81 2.837 -30.365 -4.416 1.00 62.23 C ATOM 0 H ALA A 81 4.034 -30.456 -6.565 1.00 25.24 H new ATOM 0 HA ALA A 81 2.912 -32.444 -4.907 1.00 60.14 H new ATOM 0 HB1 ALA A 81 2.178 -30.507 -3.560 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.873 -30.346 -4.077 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.598 -29.421 -4.905 1.00 62.23 H new ATOM 1219 N LEU A 82 0.821 -30.830 -6.847 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.547 -30.823 -7.353 1.00 42.14 C ATOM 1221 C LEU A 82 -0.627 -31.509 -8.713 1.00 63.11 C ATOM 1222 O LEU A 82 -1.688 -31.978 -9.122 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.066 -29.388 -7.460 1.00 1.31 C ATOM 1224 CG LEU A 82 -0.006 -28.288 -7.431 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.851 -28.339 -8.688 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.659 -26.921 -7.284 1.00 52.23 C ATOM 0 H LEU A 82 1.455 -30.201 -7.339 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.171 -31.376 -6.651 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.632 -29.296 -8.387 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -1.765 -29.213 -6.642 1.00 1.31 H new ATOM 0 HG LEU A 82 0.639 -28.455 -6.569 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.600 -27.548 -8.650 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.348 -29.307 -8.751 1.00 30.23 H new ATOM 0 HD13 LEU A 82 0.219 -28.198 -9.565 1.00 30.23 H new ATOM 0 HD21 LEU A 82 0.111 -26.150 -7.265 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.328 -26.745 -8.126 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.228 -26.888 -6.355 1.00 52.23 H new ATOM 1238 N GLY A 83 0.505 -31.563 -9.410 1.00 74.15 N ATOM 1239 CA GLY A 83 0.541 -32.194 -10.716 1.00 24.44 C ATOM 1240 C GLY A 83 0.315 -31.207 -11.844 1.00 53.33 C ATOM 1241 O GLY A 83 -0.482 -31.460 -12.749 1.00 44.53 O ATOM 0 H GLY A 83 1.396 -31.181 -9.093 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.505 -32.683 -10.853 1.00 24.44 H new ATOM 0 HA3 GLY A 83 -0.220 -32.973 -10.761 1.00 24.44 H new ATOM 1245 N ILE A 84 1.013 -30.078 -11.789 1.00 11.52 N ATOM 1246 CA ILE A 84 0.884 -29.049 -12.814 1.00 73.53 C ATOM 1247 C ILE A 84 1.854 -29.295 -13.964 1.00 73.31 C ATOM 1248 O ILE A 84 2.996 -29.701 -13.751 1.00 12.13 O ATOM 1249 CB ILE A 84 1.135 -27.644 -12.236 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.195 -26.942 -11.950 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.980 -26.820 -13.195 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.164 -27.784 -11.152 1.00 31.45 C ATOM 0 H ILE A 84 1.674 -29.852 -11.046 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.139 -29.101 -13.187 1.00 73.53 H new ATOM 0 HB ILE A 84 1.680 -27.745 -11.298 1.00 20.52 H new ATOM 0 HG12 ILE A 84 0.001 -26.017 -11.408 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -0.661 -26.665 -12.896 1.00 42.11 H new ATOM 0 HG21 ILE A 84 2.149 -25.830 -12.772 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.938 -27.315 -13.353 1.00 54.52 H new ATOM 0 HG23 ILE A 84 1.460 -26.724 -14.148 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.084 -27.223 -10.987 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.390 -28.698 -11.702 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -0.718 -28.040 -10.191 1.00 31.45 H new ATOM 1264 N SER A 85 1.393 -29.042 -15.185 1.00 52.21 N ATOM 1265 CA SER A 85 2.219 -29.238 -16.370 1.00 24.12 C ATOM 1266 C SER A 85 3.546 -28.496 -16.236 1.00 3.33 C ATOM 1267 O SER A 85 3.605 -27.267 -16.275 1.00 53.24 O ATOM 1268 CB SER A 85 1.478 -28.756 -17.620 1.00 54.52 C ATOM 1269 OG SER A 85 2.091 -29.250 -18.798 1.00 23.32 O ATOM 0 H SER A 85 0.452 -28.701 -15.379 1.00 52.21 H new ATOM 0 HA SER A 85 2.425 -30.304 -16.466 1.00 24.12 H new ATOM 0 HB2 SER A 85 0.440 -29.086 -17.581 1.00 54.52 H new ATOM 0 HB3 SER A 85 1.466 -27.666 -17.642 1.00 54.52 H new ATOM 0 HG SER A 85 2.607 -28.533 -19.224 1.00 23.32 H new ATOM 1275 N PRO A 86 4.635 -29.260 -16.073 1.00 42.12 N ATOM 1276 CA PRO A 86 5.982 -28.699 -15.929 1.00 71.24 C ATOM 1277 C PRO A 86 6.491 -28.076 -17.225 1.00 40.35 C ATOM 1278 O PRO A 86 7.009 -28.772 -18.096 1.00 12.43 O ATOM 1279 CB PRO A 86 6.834 -29.912 -15.548 1.00 45.12 C ATOM 1280 CG PRO A 86 6.097 -31.081 -16.105 1.00 24.31 C ATOM 1281 CD PRO A 86 4.638 -30.732 -16.017 1.00 65.12 C ATOM 0 HA PRO A 86 6.012 -27.894 -15.195 1.00 71.24 H new ATOM 0 HB2 PRO A 86 7.837 -29.839 -15.968 1.00 45.12 H new ATOM 0 HB3 PRO A 86 6.947 -29.993 -14.467 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.391 -31.272 -17.137 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.316 -31.986 -15.539 1.00 24.31 H new ATOM 0 HD2 PRO A 86 4.071 -31.167 -16.840 1.00 65.12 H new ATOM 0 HD3 PRO A 86 4.192 -31.100 -15.093 1.00 65.12 H new ATOM 1289 N MET A 87 6.341 -26.761 -17.343 1.00 43.33 N ATOM 1290 CA MET A 87 6.789 -26.045 -18.532 1.00 1.42 C ATOM 1291 C MET A 87 8.213 -25.530 -18.352 1.00 55.04 C ATOM 1292 O MET A 87 9.072 -25.738 -19.211 1.00 10.13 O ATOM 1293 CB MET A 87 5.847 -24.879 -18.835 1.00 20.04 C ATOM 1294 CG MET A 87 4.379 -25.275 -18.867 1.00 72.24 C ATOM 1295 SD MET A 87 3.987 -26.381 -20.236 1.00 22.31 S ATOM 1296 CE MET A 87 2.403 -25.726 -20.756 1.00 35.42 C ATOM 0 H MET A 87 5.913 -26.170 -16.630 1.00 43.33 H new ATOM 0 HA MET A 87 6.777 -26.740 -19.371 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.989 -24.103 -18.083 1.00 20.04 H new ATOM 0 HB3 MET A 87 6.118 -24.444 -19.797 1.00 20.04 H new ATOM 0 HG2 MET A 87 4.117 -25.760 -17.927 1.00 72.24 H new ATOM 0 HG3 MET A 87 3.766 -24.377 -18.944 1.00 72.24 H new ATOM 0 HE1 MET A 87 2.028 -26.307 -21.599 1.00 35.42 H new ATOM 0 HE2 MET A 87 1.695 -25.787 -19.930 1.00 35.42 H new ATOM 0 HE3 MET A 87 2.521 -24.685 -21.057 1.00 35.42 H new ATOM 1306 N HIS A 88 8.458 -24.856 -17.233 1.00 0.52 N ATOM 1307 CA HIS A 88 9.780 -24.312 -16.941 1.00 51.21 C ATOM 1308 C HIS A 88 10.480 -25.134 -15.863 1.00 23.12 C ATOM 1309 O HIS A 88 9.866 -25.526 -14.873 1.00 50.35 O ATOM 1310 CB HIS A 88 9.667 -22.855 -16.495 1.00 24.12 C ATOM 1311 CG HIS A 88 10.877 -22.033 -16.817 1.00 62.11 C ATOM 1312 ND1 HIS A 88 11.542 -22.114 -18.022 1.00 74.54 N ATOM 1313 CD2 HIS A 88 11.541 -21.110 -16.084 1.00 20.22 C ATOM 1314 CE1 HIS A 88 12.564 -21.278 -18.016 1.00 21.10 C ATOM 1315 NE2 HIS A 88 12.585 -20.655 -16.851 1.00 3.14 N ATOM 0 H HIS A 88 7.759 -24.673 -16.513 1.00 0.52 H new ATOM 0 HA HIS A 88 10.375 -24.360 -17.853 1.00 51.21 H new ATOM 0 HB2 HIS A 88 8.795 -22.405 -16.970 1.00 24.12 H new ATOM 0 HB3 HIS A 88 9.494 -22.826 -15.419 1.00 24.12 H new ATOM 0 HD2 HIS A 88 11.296 -20.790 -15.082 1.00 20.22 H new ATOM 0 HE1 HIS A 88 13.263 -21.129 -18.825 1.00 21.10 H new ATOM 0 HE2 HIS A 88 13.266 -19.951 -16.568 1.00 3.14 H new ATOM 1323 N GLU A 89 11.769 -25.390 -16.066 1.00 53.32 N ATOM 1324 CA GLU A 89 12.551 -26.166 -15.111 1.00 13.34 C ATOM 1325 C GLU A 89 12.630 -25.453 -13.764 1.00 2.34 C ATOM 1326 O GLU A 89 12.088 -25.927 -12.765 1.00 33.31 O ATOM 1327 CB GLU A 89 13.961 -26.413 -15.653 1.00 13.54 C ATOM 1328 CG GLU A 89 14.647 -27.622 -15.039 1.00 22.51 C ATOM 1329 CD GLU A 89 15.956 -27.960 -15.726 1.00 44.10 C ATOM 1330 OE1 GLU A 89 16.164 -27.500 -16.868 1.00 63.34 O ATOM 1331 OE2 GLU A 89 16.772 -28.686 -15.119 1.00 31.10 O1- ATOM 0 H GLU A 89 12.293 -25.072 -16.882 1.00 53.32 H new ATOM 0 HA GLU A 89 12.052 -27.124 -14.966 1.00 13.34 H new ATOM 0 HB2 GLU A 89 13.907 -26.546 -16.733 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.571 -25.528 -15.471 1.00 13.54 H new ATOM 0 HG2 GLU A 89 14.834 -27.431 -13.982 1.00 22.51 H new ATOM 0 HG3 GLU A 89 13.979 -28.482 -15.095 1.00 22.51 H new ATOM 1338 N HIS A 90 13.309 -24.311 -13.745 1.00 12.33 N ATOM 1339 CA HIS A 90 13.460 -23.530 -12.521 1.00 64.04 C ATOM 1340 C HIS A 90 13.621 -22.047 -12.839 1.00 64.34 C ATOM 1341 O HIS A 90 13.858 -21.671 -13.987 1.00 61.10 O ATOM 1342 CB HIS A 90 14.663 -24.027 -11.721 1.00 14.33 C ATOM 1343 CG HIS A 90 15.896 -24.217 -12.549 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.631 -25.384 -12.548 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.523 -23.381 -13.409 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.656 -25.257 -13.370 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.614 -24.051 -13.907 1.00 64.31 N ATOM 0 H HIS A 90 13.764 -23.905 -14.563 1.00 12.33 H new ATOM 0 HA HIS A 90 12.558 -23.658 -11.923 1.00 64.04 H new ATOM 0 HB2 HIS A 90 14.877 -23.316 -10.923 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.406 -24.973 -11.244 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.222 -22.374 -13.658 1.00 24.13 H new ATOM 0 HE1 HIS A 90 18.403 -26.011 -13.570 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.282 -23.678 -14.581 1.00 64.31 H new ATOM 1355 N ALA A 91 13.489 -21.210 -11.816 1.00 30.43 N ATOM 1356 CA ALA A 91 13.622 -19.768 -11.986 1.00 4.31 C ATOM 1357 C ALA A 91 14.906 -19.256 -11.343 1.00 13.54 C ATOM 1358 O ALA A 91 15.104 -19.393 -10.137 1.00 55.12 O ATOM 1359 CB ALA A 91 12.414 -19.055 -11.398 1.00 53.12 C ATOM 0 H ALA A 91 13.290 -21.505 -10.860 1.00 30.43 H new ATOM 0 HA ALA A 91 13.672 -19.555 -13.054 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.526 -17.979 -11.532 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.510 -19.392 -11.906 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.339 -19.283 -10.335 1.00 53.12 H new ATOM 1365 N GLU A 92 15.776 -18.665 -12.158 1.00 71.53 N ATOM 1366 CA GLU A 92 17.041 -18.134 -11.666 1.00 22.11 C ATOM 1367 C GLU A 92 17.088 -16.616 -11.816 1.00 21.04 C ATOM 1368 O GLU A 92 16.773 -16.075 -12.876 1.00 35.42 O ATOM 1369 CB GLU A 92 18.212 -18.768 -12.419 1.00 20.12 C ATOM 1370 CG GLU A 92 18.076 -20.270 -12.603 1.00 3.34 C ATOM 1371 CD GLU A 92 19.415 -20.963 -12.765 1.00 5.13 C ATOM 1372 OE1 GLU A 92 20.408 -20.475 -12.184 1.00 51.43 O ATOM 1373 OE2 GLU A 92 19.471 -21.990 -13.472 1.00 1.44 O1- ATOM 0 H GLU A 92 15.627 -18.543 -13.160 1.00 71.53 H new ATOM 0 HA GLU A 92 17.123 -18.380 -10.607 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.301 -18.297 -13.398 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.136 -18.559 -11.880 1.00 20.12 H new ATOM 0 HG2 GLU A 92 17.555 -20.692 -11.743 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.459 -20.470 -13.479 1.00 3.34 H new ATOM 1380 N VAL A 93 17.484 -15.933 -10.747 1.00 13.33 N ATOM 1381 CA VAL A 93 17.575 -14.478 -10.758 1.00 70.50 C ATOM 1382 C VAL A 93 18.897 -14.004 -10.166 1.00 3.53 C ATOM 1383 O VAL A 93 19.401 -14.581 -9.202 1.00 12.13 O ATOM 1384 CB VAL A 93 16.414 -13.838 -9.972 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.490 -12.321 -10.048 1.00 23.41 C ATOM 1386 CG2 VAL A 93 15.076 -14.339 -10.495 1.00 45.53 C ATOM 0 H VAL A 93 17.747 -16.365 -9.861 1.00 13.33 H new ATOM 0 HA VAL A 93 17.516 -14.165 -11.800 1.00 70.50 H new ATOM 0 HB VAL A 93 16.502 -14.131 -8.926 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.662 -11.887 -9.487 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.434 -11.982 -9.622 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.428 -12.005 -11.089 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.268 -13.877 -9.928 1.00 45.53 H new ATOM 0 HG22 VAL A 93 14.976 -14.078 -11.549 1.00 45.53 H new ATOM 0 HG23 VAL A 93 15.024 -15.422 -10.383 1.00 45.53 H new ATOM 1396 N VAL A 94 19.455 -12.948 -10.749 1.00 2.22 N ATOM 1397 CA VAL A 94 20.720 -12.395 -10.279 1.00 2.02 C ATOM 1398 C VAL A 94 20.518 -11.020 -9.650 1.00 12.31 C ATOM 1399 O VAL A 94 19.884 -10.143 -10.237 1.00 50.11 O ATOM 1400 CB VAL A 94 21.742 -12.277 -11.424 1.00 14.01 C ATOM 1401 CG1 VAL A 94 23.039 -11.659 -10.923 1.00 20.21 C ATOM 1402 CG2 VAL A 94 21.998 -13.639 -12.051 1.00 30.43 C ATOM 0 H VAL A 94 19.051 -12.458 -11.547 1.00 2.22 H new ATOM 0 HA VAL A 94 21.106 -13.083 -9.527 1.00 2.02 H new ATOM 0 HB VAL A 94 21.328 -11.621 -12.190 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.748 -11.584 -11.747 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.838 -10.664 -10.525 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.461 -12.285 -10.137 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.723 -13.537 -12.859 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.390 -14.320 -11.295 1.00 30.43 H new ATOM 0 HG23 VAL A 94 21.065 -14.038 -12.449 1.00 30.43 H new ATOM 1412 N PHE A 95 21.062 -10.839 -8.451 1.00 1.21 N ATOM 1413 CA PHE A 95 20.941 -9.571 -7.740 1.00 71.43 C ATOM 1414 C PHE A 95 22.315 -8.969 -7.465 1.00 71.25 C ATOM 1415 O PHE A 95 23.075 -9.476 -6.638 1.00 40.21 O ATOM 1416 CB PHE A 95 20.186 -9.769 -6.425 1.00 71.11 C ATOM 1417 CG PHE A 95 18.882 -10.498 -6.586 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.849 -11.881 -6.649 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.688 -9.798 -6.675 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.651 -12.555 -6.797 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.488 -10.467 -6.823 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.469 -11.846 -6.884 1.00 23.11 C ATOM 0 H PHE A 95 21.591 -11.554 -7.951 1.00 1.21 H new ATOM 0 HA PHE A 95 20.381 -8.881 -8.371 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.819 -10.322 -5.732 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.995 -8.795 -5.975 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.771 -12.440 -6.582 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.696 -8.719 -6.628 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.639 -13.634 -6.844 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.565 -9.911 -6.891 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.531 -12.369 -7.000 1.00 23.11 H new ATOM 1432 N THR A 96 22.631 -7.884 -8.165 1.00 53.44 N ATOM 1433 CA THR A 96 23.914 -7.213 -7.998 1.00 53.12 C ATOM 1434 C THR A 96 23.864 -6.208 -6.854 1.00 30.54 C ATOM 1435 O THR A 96 23.020 -5.312 -6.837 1.00 64.13 O ATOM 1436 CB THR A 96 24.339 -6.486 -9.288 1.00 32.55 C ATOM 1437 OG1 THR A 96 24.431 -7.418 -10.369 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.678 -5.788 -9.099 1.00 22.52 C ATOM 0 H THR A 96 22.015 -7.451 -8.853 1.00 53.44 H new ATOM 0 HA THR A 96 24.647 -7.985 -7.767 1.00 53.12 H new ATOM 0 HB THR A 96 23.584 -5.735 -9.520 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.700 -6.947 -11.185 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.958 -5.282 -10.023 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.597 -5.057 -8.295 1.00 22.52 H new ATOM 0 HG23 THR A 96 26.440 -6.525 -8.844 1.00 22.52 H new ATOM 1446 N ALA A 97 24.774 -6.361 -5.897 1.00 62.01 N ATOM 1447 CA ALA A 97 24.835 -5.465 -4.750 1.00 43.35 C ATOM 1448 C ALA A 97 26.176 -4.742 -4.688 1.00 12.42 C ATOM 1449 O ALA A 97 27.203 -5.283 -5.097 1.00 52.21 O ATOM 1450 CB ALA A 97 24.591 -6.237 -3.462 1.00 10.43 C ATOM 0 H ALA A 97 25.479 -7.098 -5.894 1.00 62.01 H new ATOM 0 HA ALA A 97 24.052 -4.715 -4.866 1.00 43.35 H new ATOM 0 HB1 ALA A 97 24.640 -5.554 -2.614 1.00 10.43 H new ATOM 0 HB2 ALA A 97 23.606 -6.702 -3.498 1.00 10.43 H new ATOM 0 HB3 ALA A 97 25.353 -7.009 -3.351 1.00 10.43 H new ATOM 1456 N ASN A 98 26.161 -3.516 -4.175 1.00 22.42 N ATOM 1457 CA ASN A 98 27.376 -2.719 -4.061 1.00 70.24 C ATOM 1458 C ASN A 98 27.846 -2.645 -2.612 1.00 0.21 C ATOM 1459 O ASN A 98 29.039 -2.514 -2.341 1.00 44.32 O ATOM 1460 CB ASN A 98 27.138 -1.308 -4.604 1.00 53.32 C ATOM 1461 CG ASN A 98 27.331 -1.226 -6.106 1.00 65.42 C ATOM 1462 OD1 ASN A 98 27.837 -2.159 -6.730 1.00 61.01 O ATOM 1463 ND2 ASN A 98 26.927 -0.106 -6.694 1.00 50.32 N ATOM 0 H ASN A 98 25.320 -3.053 -3.831 1.00 22.42 H new ATOM 0 HA ASN A 98 28.154 -3.203 -4.652 1.00 70.24 H new ATOM 0 HB2 ASN A 98 26.126 -0.991 -4.353 1.00 53.32 H new ATOM 0 HB3 ASN A 98 27.820 -0.613 -4.114 1.00 53.32 H new ATOM 0 HD21 ASN A 98 27.031 0.007 -7.702 1.00 50.32 H new ATOM 0 HD22 ASN A 98 26.513 0.642 -6.137 1.00 50.32 H new ATOM 1470 N ASP A 99 26.898 -2.733 -1.684 1.00 15.12 N ATOM 1471 CA ASP A 99 27.214 -2.678 -0.261 1.00 4.24 C ATOM 1472 C ASP A 99 26.305 -3.611 0.533 1.00 73.21 C ATOM 1473 O ASP A 99 25.503 -4.349 -0.040 1.00 53.11 O ATOM 1474 CB ASP A 99 27.077 -1.246 0.259 1.00 62.12 C ATOM 1475 CG ASP A 99 25.675 -0.697 0.080 1.00 13.14 C ATOM 1476 OD1 ASP A 99 25.355 -0.238 -1.036 1.00 52.50 O1- ATOM 1477 OD2 ASP A 99 24.898 -0.728 1.057 1.00 55.13 O ATOM 0 H ASP A 99 25.905 -2.843 -1.892 1.00 15.12 H new ATOM 0 HA ASP A 99 28.245 -3.006 -0.129 1.00 4.24 H new ATOM 0 HB2 ASP A 99 27.342 -1.219 1.316 1.00 62.12 H new ATOM 0 HB3 ASP A 99 27.785 -0.603 -0.264 1.00 62.12 H new ATOM 1482 N SER A 100 26.436 -3.571 1.855 1.00 64.11 N ATOM 1483 CA SER A 100 25.630 -4.417 2.728 1.00 51.44 C ATOM 1484 C SER A 100 24.144 -4.120 2.550 1.00 2.13 C ATOM 1485 O SER A 100 23.415 -4.896 1.934 1.00 24.13 O ATOM 1486 CB SER A 100 26.031 -4.207 4.189 1.00 72.33 C ATOM 1487 OG SER A 100 25.181 -4.930 5.061 1.00 61.25 O ATOM 0 H SER A 100 27.092 -2.963 2.345 1.00 64.11 H new ATOM 0 HA SER A 100 25.811 -5.456 2.454 1.00 51.44 H new ATOM 0 HB2 SER A 100 27.063 -4.526 4.335 1.00 72.33 H new ATOM 0 HB3 SER A 100 25.988 -3.145 4.432 1.00 72.33 H new ATOM 0 HG SER A 100 25.460 -4.780 5.988 1.00 61.25 H new ATOM 1493 N GLY A 101 23.703 -2.990 3.095 1.00 42.21 N ATOM 1494 CA GLY A 101 22.306 -2.611 2.987 1.00 53.22 C ATOM 1495 C GLY A 101 21.541 -2.839 4.274 1.00 10.13 C ATOM 1496 O GLY A 101 22.008 -3.521 5.187 1.00 41.01 O ATOM 0 H GLY A 101 24.288 -2.331 3.609 1.00 42.21 H new ATOM 0 HA2 GLY A 101 22.239 -1.559 2.710 1.00 53.22 H new ATOM 0 HA3 GLY A 101 21.839 -3.182 2.185 1.00 53.22 H new ATOM 1500 N PRO A 102 20.334 -2.259 4.361 1.00 72.31 N ATOM 1501 CA PRO A 102 19.477 -2.388 5.544 1.00 62.41 C ATOM 1502 C PRO A 102 18.920 -3.798 5.705 1.00 55.41 C ATOM 1503 O PRO A 102 19.277 -4.707 4.955 1.00 30.03 O ATOM 1504 CB PRO A 102 18.346 -1.393 5.273 1.00 3.05 C ATOM 1505 CG PRO A 102 18.297 -1.272 3.789 1.00 21.03 C ATOM 1506 CD PRO A 102 19.713 -1.433 3.313 1.00 22.35 C ATOM 0 HA PRO A 102 20.023 -2.192 6.467 1.00 62.41 H new ATOM 0 HB2 PRO A 102 17.398 -1.753 5.673 1.00 3.05 H new ATOM 0 HB3 PRO A 102 18.545 -0.430 5.743 1.00 3.05 H new ATOM 0 HG2 PRO A 102 17.651 -2.036 3.356 1.00 21.03 H new ATOM 0 HG3 PRO A 102 17.892 -0.305 3.490 1.00 21.03 H new ATOM 0 HD2 PRO A 102 19.756 -1.920 2.339 1.00 22.35 H new ATOM 0 HD3 PRO A 102 20.214 -0.471 3.210 1.00 22.35 H new ATOM 1514 N ARG A 103 18.042 -3.974 6.686 1.00 52.42 N ATOM 1515 CA ARG A 103 17.435 -5.274 6.946 1.00 64.24 C ATOM 1516 C ARG A 103 15.916 -5.158 7.031 1.00 1.20 C ATOM 1517 O ARG A 103 15.275 -5.835 7.835 1.00 43.01 O ATOM 1518 CB ARG A 103 17.985 -5.868 8.243 1.00 21.14 C ATOM 1519 CG ARG A 103 18.187 -4.842 9.346 1.00 71.15 C ATOM 1520 CD ARG A 103 16.864 -4.246 9.801 1.00 40.02 C ATOM 1521 NE ARG A 103 16.968 -3.623 11.118 1.00 23.44 N ATOM 1522 CZ ARG A 103 17.095 -4.310 12.248 1.00 72.30 C ATOM 1523 NH1 ARG A 103 17.133 -5.635 12.221 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 17.183 -3.671 13.407 1.00 23.55 N ATOM 0 H ARG A 103 17.734 -3.232 7.315 1.00 52.42 H new ATOM 0 HA ARG A 103 17.686 -5.936 6.117 1.00 64.24 H new ATOM 0 HB2 ARG A 103 17.302 -6.640 8.597 1.00 21.14 H new ATOM 0 HB3 ARG A 103 18.937 -6.356 8.034 1.00 21.14 H new ATOM 0 HG2 ARG A 103 18.687 -5.311 10.194 1.00 71.15 H new ATOM 0 HG3 ARG A 103 18.842 -4.047 8.990 1.00 71.15 H new ATOM 0 HD2 ARG A 103 16.532 -3.504 9.075 1.00 40.02 H new ATOM 0 HD3 ARG A 103 16.105 -5.028 9.829 1.00 40.02 H new ATOM 0 HE ARG A 103 16.942 -2.605 11.173 1.00 23.44 H new ATOM 0 HH11 ARG A 103 17.065 -6.129 11.331 1.00 12.31 H new ATOM 0 HH12 ARG A 103 17.231 -6.160 13.090 1.00 12.31 H new ATOM 0 HH21 ARG A 103 17.153 -2.652 13.431 1.00 23.55 H new ATOM 0 HH22 ARG A 103 17.280 -4.199 14.274 1.00 23.55 H new ATOM 1538 N ARG A 104 15.345 -4.296 6.195 1.00 42.23 N ATOM 1539 CA ARG A 104 13.902 -4.089 6.178 1.00 3.34 C ATOM 1540 C ARG A 104 13.366 -4.124 4.750 1.00 11.24 C ATOM 1541 O ARG A 104 12.732 -3.174 4.291 1.00 3.33 O ATOM 1542 CB ARG A 104 13.549 -2.754 6.835 1.00 1.21 C ATOM 1543 CG ARG A 104 12.148 -2.718 7.425 1.00 52.32 C ATOM 1544 CD ARG A 104 11.924 -1.461 8.251 1.00 23.35 C ATOM 1545 NE ARG A 104 10.520 -1.061 8.270 1.00 23.43 N ATOM 1546 CZ ARG A 104 10.059 -0.026 8.964 1.00 61.22 C ATOM 1547 NH1 ARG A 104 10.888 0.709 9.692 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 8.768 0.275 8.930 1.00 61.40 N ATOM 0 H ARG A 104 15.860 -3.730 5.521 1.00 42.23 H new ATOM 0 HA ARG A 104 13.437 -4.897 6.743 1.00 3.34 H new ATOM 0 HB2 ARG A 104 14.272 -2.544 7.623 1.00 1.21 H new ATOM 0 HB3 ARG A 104 13.644 -1.958 6.096 1.00 1.21 H new ATOM 0 HG2 ARG A 104 11.412 -2.763 6.622 1.00 52.32 H new ATOM 0 HG3 ARG A 104 11.992 -3.598 8.049 1.00 52.32 H new ATOM 0 HD2 ARG A 104 12.266 -1.632 9.272 1.00 23.35 H new ATOM 0 HD3 ARG A 104 12.527 -0.649 7.845 1.00 23.35 H new ATOM 0 HE ARG A 104 9.856 -1.606 7.720 1.00 23.43 H new ATOM 0 HH11 ARG A 104 11.882 0.480 9.720 1.00 21.23 H new ATOM 0 HH12 ARG A 104 10.532 1.503 10.224 1.00 21.23 H new ATOM 0 HH21 ARG A 104 8.128 -0.288 8.371 1.00 61.40 H new ATOM 0 HH22 ARG A 104 8.415 1.070 9.463 1.00 61.40 H new ATOM 1562 N TYR A 105 13.624 -5.225 4.054 1.00 64.52 N ATOM 1563 CA TYR A 105 13.170 -5.383 2.676 1.00 43.23 C ATOM 1564 C TYR A 105 12.808 -6.835 2.385 1.00 12.34 C ATOM 1565 O TYR A 105 13.454 -7.761 2.879 1.00 73.32 O ATOM 1566 CB TYR A 105 14.252 -4.910 1.703 1.00 4.01 C ATOM 1567 CG TYR A 105 14.327 -3.406 1.566 1.00 12.10 C ATOM 1568 CD1 TYR A 105 13.225 -2.671 1.146 1.00 71.31 C ATOM 1569 CD2 TYR A 105 15.501 -2.720 1.854 1.00 32.04 C ATOM 1570 CE1 TYR A 105 13.290 -1.297 1.019 1.00 24.24 C ATOM 1571 CE2 TYR A 105 15.574 -1.347 1.731 1.00 72.42 C ATOM 1572 CZ TYR A 105 14.466 -0.640 1.312 1.00 22.41 C ATOM 1573 OH TYR A 105 14.536 0.729 1.187 1.00 41.31 O ATOM 0 H TYR A 105 14.145 -6.022 4.420 1.00 64.52 H new ATOM 0 HA TYR A 105 12.278 -4.772 2.542 1.00 43.23 H new ATOM 0 HB2 TYR A 105 15.219 -5.285 2.038 1.00 4.01 H new ATOM 0 HB3 TYR A 105 14.063 -5.347 0.722 1.00 4.01 H new ATOM 0 HD1 TYR A 105 12.302 -3.183 0.915 1.00 71.31 H new ATOM 0 HD2 TYR A 105 16.371 -3.271 2.180 1.00 32.04 H new ATOM 0 HE1 TYR A 105 12.424 -0.740 0.692 1.00 24.24 H new ATOM 0 HE2 TYR A 105 16.493 -0.829 1.961 1.00 72.42 H new ATOM 0 HH TYR A 105 15.434 1.034 1.433 1.00 41.31 H new ATOM 1583 N THR A 106 11.770 -7.030 1.578 1.00 61.33 N ATOM 1584 CA THR A 106 11.319 -8.369 1.220 1.00 12.11 C ATOM 1585 C THR A 106 11.093 -8.489 -0.283 1.00 32.31 C ATOM 1586 O THR A 106 10.573 -7.570 -0.917 1.00 11.53 O ATOM 1587 CB THR A 106 10.017 -8.738 1.956 1.00 42.34 C ATOM 1588 OG1 THR A 106 10.231 -8.711 3.371 1.00 34.34 O ATOM 1589 CG2 THR A 106 9.534 -10.118 1.537 1.00 20.22 C ATOM 0 H THR A 106 11.225 -6.276 1.159 1.00 61.33 H new ATOM 0 HA THR A 106 12.106 -9.060 1.522 1.00 12.11 H new ATOM 0 HB THR A 106 9.254 -8.006 1.691 1.00 42.34 H new ATOM 0 HG1 THR A 106 9.370 -8.626 3.831 1.00 34.34 H new ATOM 0 HG21 THR A 106 8.613 -10.358 2.069 1.00 20.22 H new ATOM 0 HG22 THR A 106 9.346 -10.127 0.463 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.296 -10.859 1.778 1.00 20.22 H new ATOM 1597 N ILE A 107 11.485 -9.627 -0.846 1.00 71.42 N ATOM 1598 CA ILE A 107 11.322 -9.866 -2.275 1.00 74.04 C ATOM 1599 C ILE A 107 10.060 -10.674 -2.556 1.00 33.14 C ATOM 1600 O ILE A 107 9.860 -11.749 -1.990 1.00 43.14 O ATOM 1601 CB ILE A 107 12.536 -10.610 -2.863 1.00 63.22 C ATOM 1602 CG1 ILE A 107 13.820 -9.817 -2.608 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.341 -10.848 -4.352 1.00 32.41 C ATOM 1604 CD1 ILE A 107 13.797 -8.425 -3.200 1.00 2.32 C ATOM 0 H ILE A 107 11.917 -10.397 -0.335 1.00 71.42 H new ATOM 0 HA ILE A 107 11.239 -8.889 -2.751 1.00 74.04 H new ATOM 0 HB ILE A 107 12.625 -11.578 -2.369 1.00 63.22 H new ATOM 0 HG12 ILE A 107 13.985 -9.743 -1.533 1.00 62.44 H new ATOM 0 HG13 ILE A 107 14.665 -10.366 -3.023 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.207 -11.375 -4.753 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.446 -11.449 -4.510 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.230 -9.891 -4.862 1.00 32.41 H new ATOM 0 HD11 ILE A 107 14.738 -7.921 -2.981 1.00 2.32 H new ATOM 0 HD12 ILE A 107 13.664 -8.491 -4.280 1.00 2.32 H new ATOM 0 HD13 ILE A 107 12.973 -7.859 -2.766 1.00 2.32 H new ATOM 1616 N ALA A 108 9.212 -10.151 -3.435 1.00 44.40 N ATOM 1617 CA ALA A 108 7.970 -10.825 -3.794 1.00 61.41 C ATOM 1618 C ALA A 108 8.043 -11.391 -5.209 1.00 62.14 C ATOM 1619 O ALA A 108 8.144 -10.645 -6.182 1.00 70.45 O ATOM 1620 CB ALA A 108 6.794 -9.869 -3.666 1.00 74.04 C ATOM 0 H ALA A 108 9.362 -9.262 -3.912 1.00 44.40 H new ATOM 0 HA ALA A 108 7.824 -11.656 -3.104 1.00 61.41 H new ATOM 0 HB1 ALA A 108 5.874 -10.386 -3.937 1.00 74.04 H new ATOM 0 HB2 ALA A 108 6.722 -9.516 -2.637 1.00 74.04 H new ATOM 0 HB3 ALA A 108 6.942 -9.019 -4.332 1.00 74.04 H new ATOM 1626 N ALA A 109 7.992 -12.715 -5.315 1.00 63.14 N ATOM 1627 CA ALA A 109 8.052 -13.381 -6.609 1.00 74.21 C ATOM 1628 C ALA A 109 6.812 -14.239 -6.843 1.00 35.54 C ATOM 1629 O ALA A 109 6.296 -14.863 -5.916 1.00 62.10 O ATOM 1630 CB ALA A 109 9.310 -14.230 -6.710 1.00 25.13 C ATOM 0 H ALA A 109 7.909 -13.347 -4.519 1.00 63.14 H new ATOM 0 HA ALA A 109 8.083 -12.614 -7.383 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.340 -14.721 -7.683 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.188 -13.594 -6.597 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.304 -14.984 -5.923 1.00 25.13 H new ATOM 1636 N MET A 110 6.341 -14.264 -8.085 1.00 70.32 N ATOM 1637 CA MET A 110 5.163 -15.046 -8.438 1.00 45.12 C ATOM 1638 C MET A 110 5.519 -16.150 -9.429 1.00 15.33 C ATOM 1639 O MET A 110 6.402 -15.980 -10.272 1.00 41.41 O ATOM 1640 CB MET A 110 4.083 -14.140 -9.034 1.00 74.03 C ATOM 1641 CG MET A 110 3.262 -13.404 -7.988 1.00 13.10 C ATOM 1642 SD MET A 110 1.541 -13.190 -8.479 1.00 31.04 S ATOM 1643 CE MET A 110 0.698 -13.979 -7.108 1.00 0.14 C ATOM 0 H MET A 110 6.757 -13.752 -8.863 1.00 70.32 H new ATOM 0 HA MET A 110 4.779 -15.508 -7.528 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.555 -13.411 -9.693 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.415 -14.742 -9.651 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.302 -13.954 -7.048 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.707 -12.426 -7.804 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.353 -14.120 -7.360 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.156 -14.948 -6.908 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.778 -13.350 -6.221 1.00 0.14 H new ATOM 1653 N LEU A 111 4.831 -17.280 -9.321 1.00 31.10 N ATOM 1654 CA LEU A 111 5.076 -18.413 -10.209 1.00 3.04 C ATOM 1655 C LEU A 111 3.946 -18.566 -11.222 1.00 63.32 C ATOM 1656 O LEU A 111 2.780 -18.698 -10.850 1.00 10.01 O ATOM 1657 CB LEU A 111 5.224 -19.700 -9.394 1.00 34.42 C ATOM 1658 CG LEU A 111 6.656 -20.132 -9.078 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.483 -18.943 -8.615 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.662 -21.230 -8.024 1.00 11.55 C ATOM 0 H LEU A 111 4.099 -17.438 -8.628 1.00 31.10 H new ATOM 0 HA LEU A 111 6.002 -18.225 -10.752 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.687 -19.575 -8.454 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.733 -20.508 -9.936 1.00 34.42 H new ATOM 0 HG LEU A 111 7.104 -20.528 -9.989 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.499 -19.270 -8.395 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.507 -18.188 -9.401 1.00 40.44 H new ATOM 0 HD13 LEU A 111 7.036 -18.517 -7.717 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.690 -21.525 -7.812 1.00 11.55 H new ATOM 0 HD22 LEU A 111 6.195 -20.861 -7.111 1.00 11.55 H new ATOM 0 HD23 LEU A 111 6.106 -22.092 -8.393 1.00 11.55 H new ATOM 1672 N SER A 112 4.300 -18.549 -12.502 1.00 73.51 N ATOM 1673 CA SER A 112 3.316 -18.685 -13.570 1.00 51.32 C ATOM 1674 C SER A 112 3.956 -19.265 -14.828 1.00 24.21 C ATOM 1675 O SER A 112 4.523 -18.548 -15.653 1.00 14.52 O ATOM 1676 CB SER A 112 2.684 -17.328 -13.884 1.00 2.41 C ATOM 1677 OG SER A 112 1.353 -17.480 -14.346 1.00 5.42 O ATOM 0 H SER A 112 5.261 -18.442 -12.826 1.00 73.51 H new ATOM 0 HA SER A 112 2.539 -19.370 -13.231 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.693 -16.704 -12.991 1.00 2.41 H new ATOM 0 HB3 SER A 112 3.278 -16.813 -14.639 1.00 2.41 H new ATOM 0 HG SER A 112 0.971 -16.598 -14.538 1.00 5.42 H new ATOM 1683 N PRO A 113 3.863 -20.594 -14.979 1.00 54.43 N ATOM 1684 CA PRO A 113 4.425 -21.301 -16.134 1.00 23.13 C ATOM 1685 C PRO A 113 3.666 -21.002 -17.422 1.00 42.52 C ATOM 1686 O PRO A 113 4.232 -21.054 -18.514 1.00 32.13 O ATOM 1687 CB PRO A 113 4.276 -22.776 -15.754 1.00 11.42 C ATOM 1688 CG PRO A 113 3.138 -22.806 -14.794 1.00 14.31 C ATOM 1689 CD PRO A 113 3.201 -21.510 -14.035 1.00 11.21 C ATOM 0 HA PRO A 113 5.453 -21.001 -16.335 1.00 23.13 H new ATOM 0 HB2 PRO A 113 4.072 -23.392 -16.630 1.00 11.42 H new ATOM 0 HB3 PRO A 113 5.188 -23.162 -15.299 1.00 11.42 H new ATOM 0 HG2 PRO A 113 2.188 -22.905 -15.319 1.00 14.31 H new ATOM 0 HG3 PRO A 113 3.220 -23.658 -14.119 1.00 14.31 H new ATOM 0 HD2 PRO A 113 2.207 -21.156 -13.761 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.768 -21.613 -13.110 1.00 11.21 H new ATOM 1697 N TYR A 114 2.382 -20.688 -17.287 1.00 23.21 N ATOM 1698 CA TYR A 114 1.545 -20.384 -18.442 1.00 4.41 C ATOM 1699 C TYR A 114 1.779 -18.956 -18.923 1.00 5.12 C ATOM 1700 O TYR A 114 2.313 -18.735 -20.010 1.00 62.34 O ATOM 1701 CB TYR A 114 0.069 -20.581 -18.094 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.207 -21.850 -17.319 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.456 -23.049 -17.976 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -0.217 -21.851 -15.930 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -0.709 -24.209 -17.272 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -0.468 -23.007 -15.217 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.713 -24.184 -15.893 1.00 23.21 C ATOM 1708 OH TYR A 114 -0.963 -25.340 -15.188 1.00 44.10 O ATOM 0 H TYR A 114 1.899 -20.637 -16.390 1.00 23.21 H new ATOM 0 HA TYR A 114 1.817 -21.068 -19.246 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -0.275 -19.727 -17.511 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -0.514 -20.594 -19.015 1.00 10.22 H new ATOM 0 HD1 TYR A 114 -0.451 -23.074 -19.056 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -0.025 -20.931 -15.398 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -0.903 -25.132 -17.798 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -0.472 -22.989 -14.137 1.00 70.43 H new ATOM 0 HH TYR A 114 -0.652 -26.112 -15.705 1.00 44.10 H new ATOM 1718 N SER A 115 1.377 -17.989 -18.104 1.00 54.30 N ATOM 1719 CA SER A 115 1.540 -16.580 -18.446 1.00 50.32 C ATOM 1720 C SER A 115 2.916 -16.075 -18.026 1.00 24.11 C ATOM 1721 O SER A 115 3.694 -16.801 -17.407 1.00 43.12 O ATOM 1722 CB SER A 115 0.449 -15.742 -17.776 1.00 73.32 C ATOM 1723 OG SER A 115 -0.842 -16.183 -18.160 1.00 23.24 O ATOM 0 H SER A 115 0.936 -18.155 -17.199 1.00 54.30 H new ATOM 0 HA SER A 115 1.451 -16.481 -19.528 1.00 50.32 H new ATOM 0 HB2 SER A 115 0.551 -15.806 -16.693 1.00 73.32 H new ATOM 0 HB3 SER A 115 0.574 -14.694 -18.047 1.00 73.32 H new ATOM 0 HG SER A 115 -1.521 -15.632 -17.717 1.00 23.24 H new ATOM 1729 N TYR A 116 3.210 -14.824 -18.366 1.00 51.11 N ATOM 1730 CA TYR A 116 4.493 -14.221 -18.027 1.00 44.22 C ATOM 1731 C TYR A 116 4.681 -14.156 -16.514 1.00 31.31 C ATOM 1732 O TYR A 116 3.789 -13.725 -15.784 1.00 23.43 O ATOM 1733 CB TYR A 116 4.594 -12.817 -18.625 1.00 65.40 C ATOM 1734 CG TYR A 116 3.585 -11.844 -18.059 1.00 71.35 C ATOM 1735 CD1 TYR A 116 2.294 -11.774 -18.570 1.00 11.14 C ATOM 1736 CD2 TYR A 116 3.923 -10.992 -17.015 1.00 61.42 C ATOM 1737 CE1 TYR A 116 1.370 -10.886 -18.057 1.00 2.33 C ATOM 1738 CE2 TYR A 116 3.003 -10.102 -16.494 1.00 43.15 C ATOM 1739 CZ TYR A 116 1.728 -10.052 -17.018 1.00 73.22 C ATOM 1740 OH TYR A 116 0.811 -9.165 -16.504 1.00 0.32 O ATOM 0 H TYR A 116 2.577 -14.208 -18.876 1.00 51.11 H new ATOM 0 HA TYR A 116 5.282 -14.845 -18.447 1.00 44.22 H new ATOM 0 HB2 TYR A 116 5.598 -12.429 -18.452 1.00 65.40 H new ATOM 0 HB3 TYR A 116 4.459 -12.880 -19.705 1.00 65.40 H new ATOM 0 HD1 TYR A 116 2.009 -12.426 -19.383 1.00 11.14 H new ATOM 0 HD2 TYR A 116 4.921 -11.026 -16.604 1.00 61.42 H new ATOM 0 HE1 TYR A 116 0.372 -10.844 -18.467 1.00 2.33 H new ATOM 0 HE2 TYR A 116 3.281 -9.449 -15.680 1.00 43.15 H new ATOM 0 HH TYR A 116 1.223 -8.653 -15.777 1.00 0.32 H new ATOM 1750 N SER A 117 5.850 -14.587 -16.051 1.00 62.40 N ATOM 1751 CA SER A 117 6.156 -14.582 -14.625 1.00 41.11 C ATOM 1752 C SER A 117 6.125 -13.161 -14.068 1.00 1.43 C ATOM 1753 O SER A 117 5.826 -12.207 -14.786 1.00 74.14 O ATOM 1754 CB SER A 117 7.529 -15.211 -14.374 1.00 43.31 C ATOM 1755 OG SER A 117 8.547 -14.498 -15.053 1.00 60.44 O ATOM 0 H SER A 117 6.601 -14.944 -16.642 1.00 62.40 H new ATOM 0 HA SER A 117 5.395 -15.171 -14.113 1.00 41.11 H new ATOM 0 HB2 SER A 117 7.738 -15.220 -13.304 1.00 43.31 H new ATOM 0 HB3 SER A 117 7.524 -16.249 -14.707 1.00 43.31 H new ATOM 0 HG SER A 117 9.415 -14.918 -14.876 1.00 60.44 H new ATOM 1761 N THR A 118 6.438 -13.030 -12.783 1.00 44.23 N ATOM 1762 CA THR A 118 6.446 -11.728 -12.128 1.00 62.12 C ATOM 1763 C THR A 118 7.373 -11.726 -10.918 1.00 51.22 C ATOM 1764 O THR A 118 7.465 -12.718 -10.194 1.00 52.03 O ATOM 1765 CB THR A 118 5.031 -11.318 -11.677 1.00 41.11 C ATOM 1766 OG1 THR A 118 4.052 -11.897 -12.547 1.00 53.34 O ATOM 1767 CG2 THR A 118 4.882 -9.803 -11.675 1.00 30.23 C ATOM 0 H THR A 118 6.689 -13.810 -12.175 1.00 44.23 H new ATOM 0 HA THR A 118 6.809 -11.008 -12.861 1.00 62.12 H new ATOM 0 HB THR A 118 4.876 -11.685 -10.662 1.00 41.11 H new ATOM 0 HG1 THR A 118 3.155 -11.633 -12.252 1.00 53.34 H new ATOM 0 HG21 THR A 118 3.875 -9.537 -11.353 1.00 30.23 H new ATOM 0 HG22 THR A 118 5.609 -9.367 -10.990 1.00 30.23 H new ATOM 0 HG23 THR A 118 5.055 -9.419 -12.680 1.00 30.23 H new ATOM 1775 N MET A 119 8.058 -10.607 -10.704 1.00 51.10 N ATOM 1776 CA MET A 119 8.977 -10.478 -9.579 1.00 43.42 C ATOM 1777 C MET A 119 9.086 -9.024 -9.132 1.00 2.14 C ATOM 1778 O MET A 119 8.918 -8.105 -9.931 1.00 61.44 O ATOM 1779 CB MET A 119 10.359 -11.013 -9.958 1.00 20.41 C ATOM 1780 CG MET A 119 11.253 -11.291 -8.760 1.00 61.24 C ATOM 1781 SD MET A 119 12.923 -11.773 -9.237 1.00 43.35 S ATOM 1782 CE MET A 119 13.176 -13.202 -8.186 1.00 1.53 C ATOM 0 H MET A 119 7.994 -9.778 -11.294 1.00 51.10 H new ATOM 0 HA MET A 119 8.583 -11.066 -8.750 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.239 -11.932 -10.532 1.00 20.41 H new ATOM 0 HB3 MET A 119 10.852 -10.292 -10.610 1.00 20.41 H new ATOM 0 HG2 MET A 119 11.301 -10.401 -8.133 1.00 61.24 H new ATOM 0 HG3 MET A 119 10.809 -12.082 -8.156 1.00 61.24 H new ATOM 0 HE1 MET A 119 14.239 -13.442 -8.148 1.00 1.53 H new ATOM 0 HE2 MET A 119 12.817 -12.982 -7.180 1.00 1.53 H new ATOM 0 HE3 MET A 119 12.626 -14.052 -8.589 1.00 1.53 H new ATOM 1792 N ALA A 120 9.369 -8.824 -7.848 1.00 51.45 N ATOM 1793 CA ALA A 120 9.502 -7.482 -7.296 1.00 71.34 C ATOM 1794 C ALA A 120 10.811 -7.332 -6.527 1.00 72.32 C ATOM 1795 O ALA A 120 11.018 -7.982 -5.502 1.00 32.22 O ATOM 1796 CB ALA A 120 8.319 -7.162 -6.394 1.00 12.35 C ATOM 0 H ALA A 120 9.510 -9.574 -7.172 1.00 51.45 H new ATOM 0 HA ALA A 120 9.514 -6.775 -8.125 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.432 -6.156 -5.989 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.396 -7.219 -6.971 1.00 12.35 H new ATOM 0 HB3 ALA A 120 8.281 -7.881 -5.575 1.00 12.35 H new ATOM 1802 N VAL A 121 11.691 -6.472 -7.029 1.00 53.02 N ATOM 1803 CA VAL A 121 12.980 -6.237 -6.389 1.00 21.22 C ATOM 1804 C VAL A 121 13.105 -4.792 -5.920 1.00 45.24 C ATOM 1805 O VAL A 121 12.933 -3.858 -6.702 1.00 55.42 O ATOM 1806 CB VAL A 121 14.147 -6.559 -7.342 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.474 -6.492 -6.603 1.00 73.31 C ATOM 1808 CG2 VAL A 121 13.951 -7.925 -7.980 1.00 33.42 C ATOM 0 H VAL A 121 11.535 -5.927 -7.877 1.00 53.02 H new ATOM 0 HA VAL A 121 13.031 -6.902 -5.527 1.00 21.22 H new ATOM 0 HB VAL A 121 14.163 -5.812 -8.135 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.286 -6.722 -7.292 1.00 73.31 H new ATOM 0 HG12 VAL A 121 15.615 -5.490 -6.198 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.474 -7.216 -5.788 1.00 73.31 H new ATOM 0 HG21 VAL A 121 14.784 -8.137 -8.650 1.00 33.42 H new ATOM 0 HG22 VAL A 121 13.909 -8.687 -7.202 1.00 33.42 H new ATOM 0 HG23 VAL A 121 13.019 -7.932 -8.546 1.00 33.42 H new ATOM 1818 N VAL A 122 13.407 -4.617 -4.637 1.00 24.04 N ATOM 1819 CA VAL A 122 13.557 -3.285 -4.064 1.00 52.24 C ATOM 1820 C VAL A 122 15.028 -2.914 -3.912 1.00 2.02 C ATOM 1821 O VAL A 122 15.797 -3.625 -3.266 1.00 64.54 O ATOM 1822 CB VAL A 122 12.871 -3.186 -2.688 1.00 41.24 C ATOM 1823 CG1 VAL A 122 12.873 -1.748 -2.192 1.00 71.54 C ATOM 1824 CG2 VAL A 122 11.453 -3.731 -2.760 1.00 53.13 C ATOM 0 H VAL A 122 13.552 -5.380 -3.976 1.00 24.04 H new ATOM 0 HA VAL A 122 13.078 -2.589 -4.753 1.00 52.24 H new ATOM 0 HB VAL A 122 13.433 -3.791 -1.977 1.00 41.24 H new ATOM 0 HG11 VAL A 122 12.384 -1.698 -1.219 1.00 71.54 H new ATOM 0 HG12 VAL A 122 13.901 -1.396 -2.100 1.00 71.54 H new ATOM 0 HG13 VAL A 122 12.336 -1.118 -2.901 1.00 71.54 H new ATOM 0 HG21 VAL A 122 10.983 -3.653 -1.780 1.00 53.13 H new ATOM 0 HG22 VAL A 122 10.878 -3.154 -3.485 1.00 53.13 H new ATOM 0 HG23 VAL A 122 11.480 -4.776 -3.068 1.00 53.13 H new ATOM 1834 N THR A 123 15.414 -1.793 -4.515 1.00 65.41 N ATOM 1835 CA THR A 123 16.794 -1.327 -4.449 1.00 45.23 C ATOM 1836 C THR A 123 16.956 -0.234 -3.397 1.00 73.22 C ATOM 1837 O THR A 123 16.017 0.506 -3.109 1.00 50.41 O ATOM 1838 CB THR A 123 17.270 -0.786 -5.810 1.00 11.34 C ATOM 1839 OG1 THR A 123 16.497 0.360 -6.181 1.00 23.43 O ATOM 1840 CG2 THR A 123 17.152 -1.855 -6.888 1.00 1.51 C ATOM 0 H THR A 123 14.791 -1.192 -5.054 1.00 65.41 H new ATOM 0 HA THR A 123 17.405 -2.187 -4.174 1.00 45.23 H new ATOM 0 HB THR A 123 18.318 -0.500 -5.716 1.00 11.34 H new ATOM 0 HG1 THR A 123 16.808 0.698 -7.047 1.00 23.43 H new ATOM 0 HG21 THR A 123 17.494 -1.450 -7.841 1.00 1.51 H new ATOM 0 HG22 THR A 123 17.766 -2.714 -6.617 1.00 1.51 H new ATOM 0 HG23 THR A 123 16.112 -2.167 -6.979 1.00 1.51 H new ATOM 1848 N ASN A 124 18.153 -0.139 -2.829 1.00 2.14 N ATOM 1849 CA ASN A 124 18.438 0.863 -1.808 1.00 14.35 C ATOM 1850 C ASN A 124 18.800 2.201 -2.447 1.00 21.24 C ATOM 1851 O ASN A 124 19.243 2.271 -3.593 1.00 34.35 O ATOM 1852 CB ASN A 124 19.579 0.391 -0.905 1.00 43.11 C ATOM 1853 CG ASN A 124 19.642 -1.120 -0.794 1.00 33.41 C ATOM 1854 OD1 ASN A 124 18.903 -1.728 -0.019 1.00 65.11 O ATOM 1855 ND2 ASN A 124 20.527 -1.733 -1.570 1.00 53.22 N ATOM 0 H ASN A 124 18.942 -0.744 -3.058 1.00 2.14 H new ATOM 0 HA ASN A 124 17.540 0.999 -1.206 1.00 14.35 H new ATOM 0 HB2 ASN A 124 20.526 0.764 -1.296 1.00 43.11 H new ATOM 0 HB3 ASN A 124 19.453 0.821 0.089 1.00 43.11 H new ATOM 0 HD21 ASN A 124 20.615 -2.749 -1.539 1.00 53.22 H new ATOM 0 HD22 ASN A 124 21.119 -1.188 -2.197 1.00 53.22 H new ATOM 1862 N PRO A 125 18.607 3.290 -1.688 1.00 1.24 N ATOM 1863 CA PRO A 125 18.908 4.645 -2.158 1.00 4.12 C ATOM 1864 C PRO A 125 20.405 4.891 -2.301 1.00 22.32 C ATOM 1865 O PRO A 125 21.132 4.955 -1.310 1.00 40.34 O ATOM 1866 CB PRO A 125 18.322 5.539 -1.061 1.00 23.43 C ATOM 1867 CG PRO A 125 18.324 4.687 0.161 1.00 21.31 C ATOM 1868 CD PRO A 125 18.081 3.281 -0.313 1.00 10.43 C ATOM 0 HA PRO A 125 18.494 4.834 -3.148 1.00 4.12 H new ATOM 0 HB2 PRO A 125 18.923 6.437 -0.919 1.00 23.43 H new ATOM 0 HB3 PRO A 125 17.314 5.867 -1.314 1.00 23.43 H new ATOM 0 HG2 PRO A 125 19.276 4.762 0.687 1.00 21.31 H new ATOM 0 HG3 PRO A 125 17.548 5.003 0.858 1.00 21.31 H new ATOM 0 HD2 PRO A 125 18.598 2.552 0.310 1.00 10.43 H new ATOM 0 HD3 PRO A 125 17.021 3.026 -0.290 1.00 10.43 H new ATOM 1876 N LYS A 126 20.862 5.027 -3.542 1.00 1.50 N ATOM 1877 CA LYS A 126 22.274 5.266 -3.815 1.00 65.42 C ATOM 1878 C LYS A 126 22.655 6.706 -3.487 1.00 33.33 C ATOM 1879 O LYS A 126 23.781 6.980 -3.075 1.00 12.21 O ATOM 1880 CB LYS A 126 22.588 4.966 -5.283 1.00 4.33 C ATOM 1881 CG LYS A 126 21.781 5.803 -6.261 1.00 21.32 C ATOM 1882 CD LYS A 126 22.479 7.114 -6.583 1.00 73.25 C ATOM 1883 CE LYS A 126 23.119 7.079 -7.963 1.00 21.43 C ATOM 1884 NZ LYS A 126 24.557 6.697 -7.898 1.00 72.12 N1+ ATOM 0 H LYS A 126 20.275 4.976 -4.374 1.00 1.50 H new ATOM 0 HA LYS A 126 22.859 4.600 -3.181 1.00 65.42 H new ATOM 0 HB2 LYS A 126 23.650 5.137 -5.461 1.00 4.33 H new ATOM 0 HB3 LYS A 126 22.398 3.911 -5.478 1.00 4.33 H new ATOM 0 HG2 LYS A 126 21.623 5.239 -7.180 1.00 21.32 H new ATOM 0 HG3 LYS A 126 20.797 6.008 -5.840 1.00 21.32 H new ATOM 0 HD2 LYS A 126 21.760 7.932 -6.535 1.00 73.25 H new ATOM 0 HD3 LYS A 126 23.242 7.316 -5.831 1.00 73.25 H new ATOM 0 HE2 LYS A 126 22.583 6.370 -8.594 1.00 21.43 H new ATOM 0 HE3 LYS A 126 23.024 8.058 -8.432 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 24.957 6.685 -8.858 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 25.074 7.388 -7.317 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 24.646 5.752 -7.474 1.00 72.12 H new ATOM 1898 N GLU A 127 21.709 7.621 -3.673 1.00 63.52 N ATOM 1899 CA GLU A 127 21.946 9.032 -3.395 1.00 4.22 C ATOM 1900 C GLU A 127 22.353 9.239 -1.938 1.00 54.22 C ATOM 1901 O GLU A 127 23.201 10.076 -1.633 1.00 33.32 O ATOM 1902 CB GLU A 127 20.695 9.855 -3.708 1.00 12.12 C ATOM 1903 CG GLU A 127 19.439 9.334 -3.032 1.00 23.42 C ATOM 1904 CD GLU A 127 18.355 10.389 -2.921 1.00 72.31 C ATOM 1905 OE1 GLU A 127 17.567 10.534 -3.879 1.00 54.12 O ATOM 1906 OE2 GLU A 127 18.295 11.070 -1.876 1.00 44.44 O1- ATOM 0 H GLU A 127 20.771 7.410 -4.015 1.00 63.52 H new ATOM 0 HA GLU A 127 22.762 9.369 -4.034 1.00 4.22 H new ATOM 0 HB2 GLU A 127 20.862 10.887 -3.399 1.00 12.12 H new ATOM 0 HB3 GLU A 127 20.539 9.867 -4.787 1.00 12.12 H new ATOM 0 HG2 GLU A 127 19.055 8.482 -3.594 1.00 23.42 H new ATOM 0 HG3 GLU A 127 19.691 8.971 -2.035 1.00 23.42 H new TER 1913 GLU A 127