USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 743 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0476 (180deg=-0.323) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.993 K(o=-0.99,f=-2.6!) USER MOD Single : A 9 SER OG : rot 41:sc= 0.00924 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00722) USER MOD Single : A 24 THR OG1 : rot 37:sc= 0.0718 USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0754) USER MOD Single : A 33 ASN : amide:sc= -1.09 K(o=-1.1,f=-8!) USER MOD Single : A 39 MET CE :methyl 155:sc= 0 (180deg=-0.401) USER MOD Single : A 44 LYS NZ :NH3+ 153:sc= 1.05 (180deg=0.574) USER MOD Single : A 45 SER OG : rot -168:sc= -0.767 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.633 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 69:sc= 1.31 USER MOD Single : A 56 TYR OH : rot 30:sc= -0.0623 USER MOD Single : A 57 CYS SG : rot -90:sc= -1.49 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.428 K(o=-0.43,f=-1.2) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -83:sc= 0.267 USER MOD Single : A 79 THR OG1 : rot -46:sc= 1.62 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 145:sc= -0.188 USER MOD Single : A 87 MET CE :methyl 156:sc= -0.398 (180deg=-1.79) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 100 THR OG1 : rot 44:sc= 0.669 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.294 2.111 -1.696 1.00 43.15 N ATOM 2 CA MET A 1 6.140 3.167 -2.690 1.00 11.41 C ATOM 3 C MET A 1 7.448 3.927 -2.884 1.00 4.13 C ATOM 4 O MET A 1 7.485 5.154 -2.789 1.00 33.21 O ATOM 5 CB MET A 1 5.032 4.135 -2.269 1.00 4.24 C ATOM 6 CG MET A 1 3.699 3.455 -2.005 1.00 73.02 C ATOM 7 SD MET A 1 2.380 4.629 -1.641 1.00 51.53 S ATOM 8 CE MET A 1 1.244 3.590 -0.726 1.00 51.14 C ATOM 0 H1 MET A 1 5.450 1.503 -1.702 1.00 43.15 H new ATOM 0 H2 MET A 1 7.134 1.541 -1.923 1.00 43.15 H new ATOM 0 H3 MET A 1 6.408 2.535 -0.753 1.00 43.15 H new ATOM 0 HA MET A 1 5.867 2.702 -3.637 1.00 11.41 H new ATOM 0 HB2 MET A 1 5.345 4.664 -1.369 1.00 4.24 H new ATOM 0 HB3 MET A 1 4.900 4.885 -3.049 1.00 4.24 H new ATOM 0 HG2 MET A 1 3.421 2.860 -2.875 1.00 73.02 H new ATOM 0 HG3 MET A 1 3.807 2.765 -1.168 1.00 73.02 H new ATOM 0 HE1 MET A 1 0.373 4.175 -0.430 1.00 51.14 H new ATOM 0 HE2 MET A 1 0.926 2.758 -1.354 1.00 51.14 H new ATOM 0 HE3 MET A 1 1.741 3.203 0.164 1.00 51.14 H new ATOM 18 N SER A 2 8.521 3.190 -3.155 1.00 52.11 N ATOM 19 CA SER A 2 9.832 3.795 -3.358 1.00 22.51 C ATOM 20 C SER A 2 10.853 2.746 -3.790 1.00 32.24 C ATOM 21 O SER A 2 10.799 1.596 -3.355 1.00 42.21 O ATOM 22 CB SER A 2 10.303 4.484 -2.076 1.00 24.21 C ATOM 23 OG SER A 2 11.705 4.693 -2.095 1.00 31.53 O ATOM 0 H SER A 2 8.508 2.174 -3.239 1.00 52.11 H new ATOM 0 HA SER A 2 9.743 4.539 -4.150 1.00 22.51 H new ATOM 0 HB2 SER A 2 9.791 5.440 -1.964 1.00 24.21 H new ATOM 0 HB3 SER A 2 10.034 3.875 -1.213 1.00 24.21 H new ATOM 0 HG SER A 2 11.981 5.136 -1.266 1.00 31.53 H new ATOM 29 N ASN A 3 11.782 3.152 -4.648 1.00 43.13 N ATOM 30 CA ASN A 3 12.816 2.248 -5.140 1.00 53.33 C ATOM 31 C ASN A 3 14.068 2.331 -4.273 1.00 63.31 C ATOM 32 O ASN A 3 14.114 3.084 -3.302 1.00 4.02 O ATOM 33 CB ASN A 3 13.164 2.581 -6.592 1.00 44.14 C ATOM 34 CG ASN A 3 12.173 1.988 -7.575 1.00 44.34 C ATOM 35 OD1 ASN A 3 12.385 0.897 -8.105 1.00 53.33 O ATOM 36 ND2 ASN A 3 11.085 2.707 -7.824 1.00 34.14 N ATOM 0 H ASN A 3 11.841 4.101 -5.017 1.00 43.13 H new ATOM 0 HA ASN A 3 12.428 1.230 -5.090 1.00 53.33 H new ATOM 0 HB2 ASN A 3 13.192 3.663 -6.717 1.00 44.14 H new ATOM 0 HB3 ASN A 3 14.163 2.208 -6.818 1.00 44.14 H new ATOM 0 HD21 ASN A 3 10.383 2.360 -8.478 1.00 34.14 H new ATOM 0 HD22 ASN A 3 10.951 3.606 -7.361 1.00 34.14 H new ATOM 43 N ASN A 4 15.082 1.550 -4.632 1.00 45.34 N ATOM 44 CA ASN A 4 16.336 1.535 -3.887 1.00 61.24 C ATOM 45 C ASN A 4 17.524 1.765 -4.817 1.00 0.34 C ATOM 46 O ASN A 4 17.429 1.559 -6.026 1.00 11.43 O ATOM 47 CB ASN A 4 16.500 0.203 -3.152 1.00 41.03 C ATOM 48 CG ASN A 4 15.237 -0.216 -2.426 1.00 13.34 C ATOM 49 OD1 ASN A 4 14.401 0.619 -2.078 1.00 43.34 O ATOM 50 ND2 ASN A 4 15.092 -1.515 -2.192 1.00 13.12 N ATOM 0 H ASN A 4 15.060 0.920 -5.434 1.00 45.34 H new ATOM 0 HA ASN A 4 16.306 2.344 -3.157 1.00 61.24 H new ATOM 0 HB2 ASN A 4 16.779 -0.571 -3.867 1.00 41.03 H new ATOM 0 HB3 ASN A 4 17.317 0.285 -2.436 1.00 41.03 H new ATOM 0 HD21 ASN A 4 14.263 -1.856 -1.706 1.00 13.12 H new ATOM 0 HD22 ASN A 4 15.810 -2.172 -2.498 1.00 13.12 H new ATOM 57 N GLY A 5 18.644 2.194 -4.242 1.00 31.23 N ATOM 58 CA GLY A 5 19.835 2.445 -5.032 1.00 74.35 C ATOM 59 C GLY A 5 20.935 1.439 -4.758 1.00 42.14 C ATOM 60 O GLY A 5 20.677 0.349 -4.251 1.00 30.33 O ATOM 0 H GLY A 5 18.747 2.372 -3.243 1.00 31.23 H new ATOM 0 HA2 GLY A 5 19.577 2.418 -6.091 1.00 74.35 H new ATOM 0 HA3 GLY A 5 20.203 3.449 -4.819 1.00 74.35 H new ATOM 64 N GLY A 6 22.168 1.806 -5.097 1.00 33.40 N ATOM 65 CA GLY A 6 23.293 0.915 -4.879 1.00 13.45 C ATOM 66 C GLY A 6 24.245 1.433 -3.819 1.00 13.53 C ATOM 67 O GLY A 6 23.849 2.202 -2.943 1.00 30.11 O ATOM 0 H GLY A 6 22.407 2.704 -5.518 1.00 33.40 H new ATOM 0 HA2 GLY A 6 22.923 -0.067 -4.583 1.00 13.45 H new ATOM 0 HA3 GLY A 6 23.834 0.782 -5.816 1.00 13.45 H new ATOM 71 N GLU A 7 25.502 1.010 -3.897 1.00 45.44 N ATOM 72 CA GLU A 7 26.512 1.435 -2.935 1.00 2.40 C ATOM 73 C GLU A 7 27.683 2.116 -3.639 1.00 72.41 C ATOM 74 O GLU A 7 27.895 1.955 -4.841 1.00 41.02 O ATOM 75 CB GLU A 7 27.015 0.237 -2.127 1.00 43.14 C ATOM 76 CG GLU A 7 26.444 0.168 -0.721 1.00 42.00 C ATOM 77 CD GLU A 7 25.018 -0.347 -0.695 1.00 41.31 C ATOM 78 OE1 GLU A 7 24.790 -1.483 -1.161 1.00 14.23 O ATOM 79 OE2 GLU A 7 24.131 0.386 -0.210 1.00 20.01 O ATOM 0 H GLU A 7 25.846 0.373 -4.616 1.00 45.44 H new ATOM 0 HA GLU A 7 26.051 2.153 -2.257 1.00 2.40 H new ATOM 0 HB2 GLU A 7 26.762 -0.681 -2.658 1.00 43.14 H new ATOM 0 HB3 GLU A 7 28.102 0.281 -2.067 1.00 43.14 H new ATOM 0 HG2 GLU A 7 27.072 -0.480 -0.109 1.00 42.00 H new ATOM 0 HG3 GLU A 7 26.476 1.160 -0.271 1.00 42.00 H new ATOM 86 N PRO A 8 28.461 2.895 -2.874 1.00 22.13 N ATOM 87 CA PRO A 8 29.623 3.616 -3.402 1.00 23.51 C ATOM 88 C PRO A 8 30.765 2.677 -3.779 1.00 12.51 C ATOM 89 O PRO A 8 31.331 2.780 -4.867 1.00 61.51 O ATOM 90 CB PRO A 8 30.037 4.521 -2.240 1.00 3.54 C ATOM 91 CG PRO A 8 29.535 3.827 -1.021 1.00 11.51 C ATOM 92 CD PRO A 8 28.267 3.132 -1.433 1.00 61.03 C ATOM 0 HA PRO A 8 29.385 4.157 -4.318 1.00 23.51 H new ATOM 0 HB2 PRO A 8 31.119 4.650 -2.205 1.00 3.54 H new ATOM 0 HB3 PRO A 8 29.601 5.515 -2.338 1.00 3.54 H new ATOM 0 HG2 PRO A 8 30.269 3.112 -0.649 1.00 11.51 H new ATOM 0 HG3 PRO A 8 29.347 4.538 -0.217 1.00 11.51 H new ATOM 0 HD2 PRO A 8 28.125 2.199 -0.888 1.00 61.03 H new ATOM 0 HD3 PRO A 8 27.390 3.750 -1.242 1.00 61.03 H new ATOM 100 N SER A 9 31.098 1.764 -2.873 1.00 34.32 N ATOM 101 CA SER A 9 32.174 0.809 -3.109 1.00 44.34 C ATOM 102 C SER A 9 32.328 -0.140 -1.925 1.00 64.54 C ATOM 103 O SER A 9 32.388 0.290 -0.774 1.00 75.34 O ATOM 104 CB SER A 9 33.491 1.546 -3.361 1.00 43.05 C ATOM 105 OG SER A 9 33.716 2.540 -2.377 1.00 1.12 O ATOM 0 H SER A 9 30.638 1.665 -1.968 1.00 34.32 H new ATOM 0 HA SER A 9 31.919 0.222 -3.991 1.00 44.34 H new ATOM 0 HB2 SER A 9 34.316 0.834 -3.358 1.00 43.05 H new ATOM 0 HB3 SER A 9 33.471 2.006 -4.349 1.00 43.05 H new ATOM 0 HG SER A 9 33.463 2.192 -1.497 1.00 1.12 H new ATOM 111 N ASN A 10 32.393 -1.435 -2.218 1.00 73.41 N ATOM 112 CA ASN A 10 32.539 -2.448 -1.178 1.00 42.44 C ATOM 113 C ASN A 10 33.905 -3.123 -1.265 1.00 13.51 C ATOM 114 O ASN A 10 34.747 -2.739 -2.075 1.00 25.20 O ATOM 115 CB ASN A 10 31.431 -3.496 -1.298 1.00 42.23 C ATOM 116 CG ASN A 10 30.585 -3.589 -0.043 1.00 51.33 C ATOM 117 OD1 ASN A 10 29.844 -2.663 0.289 1.00 30.40 O ATOM 118 ND2 ASN A 10 30.692 -4.710 0.661 1.00 40.53 N ATOM 0 H ASN A 10 32.347 -1.808 -3.166 1.00 73.41 H new ATOM 0 HA ASN A 10 32.458 -1.954 -0.210 1.00 42.44 H new ATOM 0 HB2 ASN A 10 30.792 -3.250 -2.146 1.00 42.23 H new ATOM 0 HB3 ASN A 10 31.876 -4.469 -1.506 1.00 42.23 H new ATOM 0 HD21 ASN A 10 30.147 -4.830 1.515 1.00 40.53 H new ATOM 0 HD22 ASN A 10 31.319 -5.451 0.348 1.00 40.53 H new ATOM 125 N ASN A 11 34.115 -4.130 -0.424 1.00 71.32 N ATOM 126 CA ASN A 11 35.378 -4.859 -0.405 1.00 70.25 C ATOM 127 C ASN A 11 36.532 -3.938 -0.021 1.00 70.21 C ATOM 128 O ASN A 11 36.326 -2.768 0.298 1.00 23.14 O ATOM 129 CB ASN A 11 35.647 -5.489 -1.774 1.00 25.25 C ATOM 130 CG ASN A 11 35.958 -6.970 -1.677 1.00 24.32 C ATOM 131 OD1 ASN A 11 35.135 -7.760 -1.213 1.00 44.31 O ATOM 132 ND2 ASN A 11 37.152 -7.354 -2.115 1.00 72.02 N ATOM 0 H ASN A 11 33.427 -4.460 0.253 1.00 71.32 H new ATOM 0 HA ASN A 11 35.303 -5.648 0.343 1.00 70.25 H new ATOM 0 HB2 ASN A 11 34.777 -5.344 -2.415 1.00 25.25 H new ATOM 0 HB3 ASN A 11 36.482 -4.975 -2.250 1.00 25.25 H new ATOM 0 HD21 ASN A 11 37.418 -8.338 -2.074 1.00 72.02 H new ATOM 0 HD22 ASN A 11 37.803 -6.665 -2.492 1.00 72.02 H new ATOM 139 N GLY A 12 37.748 -4.476 -0.055 1.00 53.31 N ATOM 140 CA GLY A 12 38.917 -3.689 0.291 1.00 13.44 C ATOM 141 C GLY A 12 38.936 -3.293 1.755 1.00 65.05 C ATOM 142 O GLY A 12 38.648 -2.148 2.099 1.00 1.21 O ATOM 0 H GLY A 12 37.944 -5.442 -0.316 1.00 53.31 H new ATOM 0 HA2 GLY A 12 39.817 -4.259 0.060 1.00 13.44 H new ATOM 0 HA3 GLY A 12 38.942 -2.791 -0.326 1.00 13.44 H new ATOM 146 N GLY A 13 39.276 -4.244 2.619 1.00 65.51 N ATOM 147 CA GLY A 13 39.324 -3.970 4.043 1.00 24.12 C ATOM 148 C GLY A 13 39.161 -5.223 4.881 1.00 41.13 C ATOM 149 O GLY A 13 39.836 -5.390 5.896 1.00 71.10 O ATOM 0 H GLY A 13 39.519 -5.200 2.358 1.00 65.51 H new ATOM 0 HA2 GLY A 13 40.274 -3.495 4.287 1.00 24.12 H new ATOM 0 HA3 GLY A 13 38.538 -3.260 4.300 1.00 24.12 H new ATOM 153 N GLU A 14 38.261 -6.104 4.455 1.00 24.34 N ATOM 154 CA GLU A 14 38.010 -7.347 5.176 1.00 44.01 C ATOM 155 C GLU A 14 39.097 -8.377 4.879 1.00 13.12 C ATOM 156 O GLU A 14 39.195 -8.888 3.765 1.00 73.24 O ATOM 157 CB GLU A 14 36.639 -7.913 4.800 1.00 45.35 C ATOM 158 CG GLU A 14 35.476 -7.099 5.340 1.00 11.21 C ATOM 159 CD GLU A 14 34.256 -7.155 4.441 1.00 65.54 C ATOM 160 OE1 GLU A 14 34.289 -6.532 3.359 1.00 74.12 O ATOM 161 OE2 GLU A 14 33.271 -7.822 4.818 1.00 74.41 O ATOM 0 H GLU A 14 37.694 -5.981 3.616 1.00 24.34 H new ATOM 0 HA GLU A 14 38.024 -7.127 6.244 1.00 44.01 H new ATOM 0 HB2 GLU A 14 36.562 -7.965 3.714 1.00 45.35 H new ATOM 0 HB3 GLU A 14 36.562 -8.934 5.174 1.00 45.35 H new ATOM 0 HG2 GLU A 14 35.209 -7.467 6.331 1.00 11.21 H new ATOM 0 HG3 GLU A 14 35.788 -6.061 5.458 1.00 11.21 H new ATOM 168 N GLY A 15 39.912 -8.676 5.886 1.00 12.34 N ATOM 169 CA GLY A 15 40.981 -9.642 5.714 1.00 73.01 C ATOM 170 C GLY A 15 42.206 -9.305 6.540 1.00 0.20 C ATOM 171 O GLY A 15 43.171 -8.739 6.028 1.00 4.31 O ATOM 0 H GLY A 15 39.851 -8.266 6.818 1.00 12.34 H new ATOM 0 HA2 GLY A 15 40.620 -10.632 5.993 1.00 73.01 H new ATOM 0 HA3 GLY A 15 41.258 -9.689 4.661 1.00 73.01 H new ATOM 175 N ALA A 16 42.167 -9.652 7.822 1.00 0.43 N ATOM 176 CA ALA A 16 43.283 -9.382 8.721 1.00 72.42 C ATOM 177 C ALA A 16 43.074 -10.057 10.072 1.00 3.25 C ATOM 178 O ALA A 16 42.087 -10.761 10.279 1.00 74.04 O ATOM 179 CB ALA A 16 43.466 -7.883 8.900 1.00 43.33 C ATOM 0 H ALA A 16 41.375 -10.121 8.262 1.00 0.43 H new ATOM 0 HA ALA A 16 44.187 -9.796 8.273 1.00 72.42 H new ATOM 0 HB1 ALA A 16 44.302 -7.696 9.574 1.00 43.33 H new ATOM 0 HB2 ALA A 16 43.669 -7.423 7.933 1.00 43.33 H new ATOM 0 HB3 ALA A 16 42.558 -7.453 9.322 1.00 43.33 H new ATOM 185 N GLU A 17 44.011 -9.837 10.989 1.00 3.45 N ATOM 186 CA GLU A 17 43.929 -10.425 12.321 1.00 24.20 C ATOM 187 C GLU A 17 44.611 -9.532 13.354 1.00 62.24 C ATOM 188 O GLU A 17 45.531 -8.782 13.031 1.00 64.23 O ATOM 189 CB GLU A 17 44.571 -11.814 12.329 1.00 32.40 C ATOM 190 CG GLU A 17 43.636 -12.919 11.865 1.00 22.04 C ATOM 191 CD GLU A 17 44.211 -14.304 12.094 1.00 52.42 C ATOM 192 OE1 GLU A 17 44.150 -14.790 13.242 1.00 4.44 O ATOM 193 OE2 GLU A 17 44.721 -14.901 11.123 1.00 71.11 O ATOM 0 H GLU A 17 44.835 -9.256 10.834 1.00 3.45 H new ATOM 0 HA GLU A 17 42.876 -10.517 12.585 1.00 24.20 H new ATOM 0 HB2 GLU A 17 45.452 -11.802 11.687 1.00 32.40 H new ATOM 0 HB3 GLU A 17 44.915 -12.040 13.338 1.00 32.40 H new ATOM 0 HG2 GLU A 17 42.686 -12.832 12.393 1.00 22.04 H new ATOM 0 HG3 GLU A 17 43.424 -12.789 10.804 1.00 22.04 H new ATOM 200 N GLY A 18 44.151 -9.619 14.598 1.00 5.23 N ATOM 201 CA GLY A 18 44.727 -8.813 15.659 1.00 22.44 C ATOM 202 C GLY A 18 45.546 -9.637 16.633 1.00 24.21 C ATOM 203 O GLY A 18 45.240 -10.803 16.884 1.00 74.21 O ATOM 0 H GLY A 18 43.390 -10.233 14.890 1.00 5.23 H new ATOM 0 HA2 GLY A 18 45.358 -8.040 15.222 1.00 22.44 H new ATOM 0 HA3 GLY A 18 43.928 -8.305 16.200 1.00 22.44 H new ATOM 207 N THR A 19 46.594 -9.031 17.183 1.00 31.25 N ATOM 208 CA THR A 19 47.462 -9.717 18.133 1.00 53.33 C ATOM 209 C THR A 19 48.321 -8.725 18.908 1.00 41.53 C ATOM 210 O THR A 19 48.231 -7.514 18.697 1.00 24.34 O ATOM 211 CB THR A 19 48.380 -10.730 17.424 1.00 42.12 C ATOM 212 OG1 THR A 19 48.019 -10.836 16.042 1.00 14.04 O ATOM 213 CG2 THR A 19 48.288 -12.097 18.084 1.00 65.53 C ATOM 0 H THR A 19 46.862 -8.067 16.987 1.00 31.25 H new ATOM 0 HA THR A 19 46.813 -10.250 18.827 1.00 53.33 H new ATOM 0 HB THR A 19 49.407 -10.374 17.504 1.00 42.12 H new ATOM 0 HG1 THR A 19 48.609 -11.481 15.598 1.00 14.04 H new ATOM 0 HG21 THR A 19 48.945 -12.796 17.566 1.00 65.53 H new ATOM 0 HG22 THR A 19 48.592 -12.018 19.128 1.00 65.53 H new ATOM 0 HG23 THR A 19 47.261 -12.458 18.032 1.00 65.53 H new ATOM 221 N CYS A 20 49.154 -9.244 19.803 1.00 14.43 N ATOM 222 CA CYS A 20 50.030 -8.402 20.610 1.00 20.14 C ATOM 223 C CYS A 20 49.219 -7.426 21.456 1.00 12.11 C ATOM 224 O CYS A 20 48.863 -6.339 21.000 1.00 4.11 O ATOM 225 CB CYS A 20 51.001 -7.634 19.713 1.00 4.54 C ATOM 226 SG CYS A 20 51.903 -8.673 18.540 1.00 32.03 S ATOM 0 H CYS A 20 49.241 -10.243 19.988 1.00 14.43 H new ATOM 0 HA CYS A 20 50.598 -9.048 21.279 1.00 20.14 H new ATOM 0 HB2 CYS A 20 50.446 -6.877 19.159 1.00 4.54 H new ATOM 0 HB3 CYS A 20 51.719 -7.106 20.341 1.00 4.54 H new ATOM 0 HG CYS A 20 52.697 -7.932 17.825 1.00 32.03 H new ATOM 232 N LYS A 21 48.927 -7.821 22.691 1.00 63.54 N ATOM 233 CA LYS A 21 48.157 -6.983 23.602 1.00 43.25 C ATOM 234 C LYS A 21 48.609 -7.189 25.044 1.00 73.11 C ATOM 235 O LYS A 21 48.496 -8.287 25.587 1.00 32.24 O ATOM 236 CB LYS A 21 46.664 -7.293 23.474 1.00 41.31 C ATOM 237 CG LYS A 21 46.096 -6.994 22.097 1.00 4.12 C ATOM 238 CD LYS A 21 44.669 -7.497 21.961 1.00 21.23 C ATOM 239 CE LYS A 21 44.580 -8.664 20.990 1.00 53.03 C ATOM 240 NZ LYS A 21 45.341 -9.849 21.474 1.00 11.31 N ATOM 0 H LYS A 21 49.213 -8.718 23.084 1.00 63.54 H new ATOM 0 HA LYS A 21 48.330 -5.941 23.332 1.00 43.25 H new ATOM 0 HB2 LYS A 21 46.499 -8.345 23.705 1.00 41.31 H new ATOM 0 HB3 LYS A 21 46.116 -6.714 24.217 1.00 41.31 H new ATOM 0 HG2 LYS A 21 46.123 -5.919 21.917 1.00 4.12 H new ATOM 0 HG3 LYS A 21 46.721 -7.460 21.336 1.00 4.12 H new ATOM 0 HD2 LYS A 21 44.296 -7.806 22.938 1.00 21.23 H new ATOM 0 HD3 LYS A 21 44.027 -6.686 21.617 1.00 21.23 H new ATOM 0 HE2 LYS A 21 43.535 -8.938 20.846 1.00 53.03 H new ATOM 0 HE3 LYS A 21 44.966 -8.357 20.018 1.00 53.03 H new ATOM 0 HZ1 LYS A 21 45.213 -10.639 20.809 1.00 11.31 H new ATOM 0 HZ2 LYS A 21 46.351 -9.610 21.538 1.00 11.31 H new ATOM 0 HZ3 LYS A 21 44.991 -10.127 22.413 1.00 11.31 H new ATOM 254 N GLU A 22 49.118 -6.126 25.658 1.00 44.23 N ATOM 255 CA GLU A 22 49.586 -6.192 27.037 1.00 14.04 C ATOM 256 C GLU A 22 50.067 -4.825 27.515 1.00 65.12 C ATOM 257 O GLU A 22 51.262 -4.616 27.725 1.00 14.22 O ATOM 258 CB GLU A 22 50.714 -7.217 27.168 1.00 20.15 C ATOM 259 CG GLU A 22 51.849 -7.003 26.181 1.00 53.11 C ATOM 260 CD GLU A 22 52.170 -8.251 25.382 1.00 3.01 C ATOM 261 OE1 GLU A 22 51.477 -8.505 24.375 1.00 51.12 O ATOM 262 OE2 GLU A 22 53.114 -8.974 25.764 1.00 43.42 O ATOM 0 H GLU A 22 49.217 -5.209 25.222 1.00 44.23 H new ATOM 0 HA GLU A 22 48.749 -6.502 27.663 1.00 14.04 H new ATOM 0 HB2 GLU A 22 51.113 -7.178 28.182 1.00 20.15 H new ATOM 0 HB3 GLU A 22 50.303 -8.217 27.025 1.00 20.15 H new ATOM 0 HG2 GLU A 22 51.584 -6.197 25.497 1.00 53.11 H new ATOM 0 HG3 GLU A 22 52.740 -6.683 26.721 1.00 53.11 H new ATOM 269 N GLU A 23 49.129 -3.899 27.683 1.00 51.33 N ATOM 270 CA GLU A 23 49.458 -2.552 28.134 1.00 41.42 C ATOM 271 C GLU A 23 48.219 -1.839 28.669 1.00 24.21 C ATOM 272 O GLU A 23 47.125 -2.404 28.692 1.00 0.41 O ATOM 273 CB GLU A 23 50.071 -1.742 26.989 1.00 72.00 C ATOM 274 CG GLU A 23 51.402 -1.100 27.342 1.00 13.40 C ATOM 275 CD GLU A 23 51.285 0.395 27.571 1.00 24.24 C ATOM 276 OE1 GLU A 23 50.758 0.794 28.630 1.00 35.12 O ATOM 277 OE2 GLU A 23 51.723 1.165 26.691 1.00 2.22 O ATOM 0 H GLU A 23 48.136 -4.057 27.514 1.00 51.33 H new ATOM 0 HA GLU A 23 50.186 -2.635 28.941 1.00 41.42 H new ATOM 0 HB2 GLU A 23 50.209 -2.395 26.127 1.00 72.00 H new ATOM 0 HB3 GLU A 23 49.370 -0.963 26.690 1.00 72.00 H new ATOM 0 HG2 GLU A 23 51.802 -1.571 28.240 1.00 13.40 H new ATOM 0 HG3 GLU A 23 52.116 -1.286 26.539 1.00 13.40 H new ATOM 284 N THR A 24 48.400 -0.594 29.100 1.00 33.52 N ATOM 285 CA THR A 24 47.299 0.195 29.637 1.00 12.41 C ATOM 286 C THR A 24 46.909 1.317 28.681 1.00 63.11 C ATOM 287 O THR A 24 47.721 2.186 28.365 1.00 63.22 O ATOM 288 CB THR A 24 47.659 0.805 31.005 1.00 24.41 C ATOM 289 OG1 THR A 24 49.037 1.195 31.020 1.00 50.13 O ATOM 290 CG2 THR A 24 47.397 -0.190 32.126 1.00 10.43 C ATOM 0 H THR A 24 49.298 -0.111 29.087 1.00 33.52 H new ATOM 0 HA THR A 24 46.455 -0.484 29.761 1.00 12.41 H new ATOM 0 HB THR A 24 47.032 1.682 31.164 1.00 24.41 H new ATOM 0 HG1 THR A 24 49.286 1.551 30.141 1.00 50.13 H new ATOM 0 HG21 THR A 24 47.658 0.262 33.083 1.00 10.43 H new ATOM 0 HG22 THR A 24 46.342 -0.464 32.130 1.00 10.43 H new ATOM 0 HG23 THR A 24 48.003 -1.083 31.969 1.00 10.43 H new ATOM 298 N ALA A 25 45.662 1.292 28.224 1.00 75.10 N ATOM 299 CA ALA A 25 45.164 2.309 27.306 1.00 72.32 C ATOM 300 C ALA A 25 43.648 2.445 27.407 1.00 64.14 C ATOM 301 O ALA A 25 42.947 1.480 27.715 1.00 2.32 O ATOM 302 CB ALA A 25 45.572 1.976 25.878 1.00 30.03 C ATOM 0 H ALA A 25 44.978 0.578 28.474 1.00 75.10 H new ATOM 0 HA ALA A 25 45.608 3.264 27.586 1.00 72.32 H new ATOM 0 HB1 ALA A 25 45.194 2.744 25.203 1.00 30.03 H new ATOM 0 HB2 ALA A 25 46.659 1.937 25.810 1.00 30.03 H new ATOM 0 HB3 ALA A 25 45.156 1.009 25.597 1.00 30.03 H new ATOM 308 N LEU A 26 43.149 3.648 27.145 1.00 34.44 N ATOM 309 CA LEU A 26 41.715 3.910 27.207 1.00 11.44 C ATOM 310 C LEU A 26 41.258 4.723 26.001 1.00 53.55 C ATOM 311 O LEU A 26 41.721 5.843 25.781 1.00 32.12 O ATOM 312 CB LEU A 26 41.368 4.654 28.499 1.00 61.35 C ATOM 313 CG LEU A 26 39.882 4.919 28.742 1.00 51.03 C ATOM 314 CD1 LEU A 26 39.509 4.588 30.178 1.00 13.24 C ATOM 315 CD2 LEU A 26 39.539 6.366 28.419 1.00 12.13 C ATOM 0 H LEU A 26 43.715 4.457 26.888 1.00 34.44 H new ATOM 0 HA LEU A 26 41.195 2.952 27.195 1.00 11.44 H new ATOM 0 HB2 LEU A 26 41.757 4.081 29.341 1.00 61.35 H new ATOM 0 HB3 LEU A 26 41.891 5.610 28.496 1.00 61.35 H new ATOM 0 HG LEU A 26 39.304 4.273 28.081 1.00 51.03 H new ATOM 0 HD11 LEU A 26 38.448 4.783 30.332 1.00 13.24 H new ATOM 0 HD12 LEU A 26 39.717 3.536 30.375 1.00 13.24 H new ATOM 0 HD13 LEU A 26 40.094 5.207 30.858 1.00 13.24 H new ATOM 0 HD21 LEU A 26 38.477 6.537 28.598 1.00 12.13 H new ATOM 0 HD22 LEU A 26 40.125 7.030 29.055 1.00 12.13 H new ATOM 0 HD23 LEU A 26 39.768 6.569 27.373 1.00 12.13 H new ATOM 327 N VAL A 27 40.344 4.154 25.221 1.00 30.42 N ATOM 328 CA VAL A 27 39.821 4.827 24.038 1.00 20.52 C ATOM 329 C VAL A 27 38.300 4.742 23.986 1.00 53.44 C ATOM 330 O VAL A 27 37.718 3.682 24.213 1.00 23.02 O ATOM 331 CB VAL A 27 40.403 4.223 22.746 1.00 34.10 C ATOM 332 CG1 VAL A 27 39.645 4.733 21.530 1.00 54.11 C ATOM 333 CG2 VAL A 27 41.886 4.540 22.631 1.00 21.53 C ATOM 0 H VAL A 27 39.950 3.228 25.387 1.00 30.42 H new ATOM 0 HA VAL A 27 40.121 5.872 24.109 1.00 20.52 H new ATOM 0 HB VAL A 27 40.289 3.140 22.788 1.00 34.10 H new ATOM 0 HG11 VAL A 27 40.070 4.296 20.627 1.00 54.11 H new ATOM 0 HG12 VAL A 27 38.595 4.450 21.611 1.00 54.11 H new ATOM 0 HG13 VAL A 27 39.726 5.819 21.480 1.00 54.11 H new ATOM 0 HG21 VAL A 27 42.281 4.106 21.713 1.00 21.53 H new ATOM 0 HG22 VAL A 27 42.027 5.621 22.611 1.00 21.53 H new ATOM 0 HG23 VAL A 27 42.415 4.121 23.487 1.00 21.53 H new ATOM 343 N ALA A 28 37.661 5.868 23.683 1.00 35.34 N ATOM 344 CA ALA A 28 36.206 5.921 23.598 1.00 24.11 C ATOM 345 C ALA A 28 35.730 5.668 22.172 1.00 45.24 C ATOM 346 O ALA A 28 36.242 6.261 21.222 1.00 53.15 O ATOM 347 CB ALA A 28 35.697 7.266 24.096 1.00 64.42 C ATOM 0 H ALA A 28 38.128 6.755 23.493 1.00 35.34 H new ATOM 0 HA ALA A 28 35.801 5.134 24.233 1.00 24.11 H new ATOM 0 HB1 ALA A 28 34.609 7.292 24.027 1.00 64.42 H new ATOM 0 HB2 ALA A 28 35.998 7.407 25.134 1.00 64.42 H new ATOM 0 HB3 ALA A 28 36.118 8.064 23.484 1.00 64.42 H new ATOM 353 N VAL A 29 34.749 4.783 22.028 1.00 11.31 N ATOM 354 CA VAL A 29 34.204 4.452 20.717 1.00 14.20 C ATOM 355 C VAL A 29 32.700 4.697 20.669 1.00 13.44 C ATOM 356 O VAL A 29 31.998 4.518 21.665 1.00 1.12 O ATOM 357 CB VAL A 29 34.485 2.984 20.346 1.00 4.05 C ATOM 358 CG1 VAL A 29 33.937 2.668 18.963 1.00 22.43 C ATOM 359 CG2 VAL A 29 35.977 2.694 20.417 1.00 30.00 C ATOM 0 H VAL A 29 34.315 4.282 22.804 1.00 11.31 H new ATOM 0 HA VAL A 29 34.699 5.103 19.996 1.00 14.20 H new ATOM 0 HB VAL A 29 33.978 2.342 21.066 1.00 4.05 H new ATOM 0 HG11 VAL A 29 34.145 1.626 18.718 1.00 22.43 H new ATOM 0 HG12 VAL A 29 32.860 2.835 18.951 1.00 22.43 H new ATOM 0 HG13 VAL A 29 34.413 3.316 18.226 1.00 22.43 H new ATOM 0 HG21 VAL A 29 36.158 1.652 20.152 1.00 30.00 H new ATOM 0 HG22 VAL A 29 36.507 3.343 19.720 1.00 30.00 H new ATOM 0 HG23 VAL A 29 36.336 2.878 21.430 1.00 30.00 H new ATOM 369 N LYS A 30 32.209 5.108 19.505 1.00 44.31 N ATOM 370 CA LYS A 30 30.788 5.377 19.325 1.00 53.03 C ATOM 371 C LYS A 30 30.282 4.778 18.016 1.00 3.01 C ATOM 372 O LYS A 30 30.704 5.183 16.933 1.00 54.23 O ATOM 373 CB LYS A 30 30.526 6.885 19.342 1.00 24.22 C ATOM 374 CG LYS A 30 31.405 7.666 18.380 1.00 30.43 C ATOM 375 CD LYS A 30 32.180 8.760 19.096 1.00 71.45 C ATOM 376 CE LYS A 30 31.385 10.055 19.160 1.00 33.44 C ATOM 377 NZ LYS A 30 30.369 10.028 20.249 1.00 74.43 N ATOM 0 H LYS A 30 32.776 5.262 18.671 1.00 44.31 H new ATOM 0 HA LYS A 30 30.249 4.911 20.150 1.00 53.03 H new ATOM 0 HB2 LYS A 30 29.480 7.066 19.094 1.00 24.22 H new ATOM 0 HB3 LYS A 30 30.684 7.261 20.353 1.00 24.22 H new ATOM 0 HG2 LYS A 30 32.102 6.987 17.889 1.00 30.43 H new ATOM 0 HG3 LYS A 30 30.787 8.108 17.598 1.00 30.43 H new ATOM 0 HD2 LYS A 30 32.425 8.432 20.106 1.00 71.45 H new ATOM 0 HD3 LYS A 30 33.124 8.936 18.580 1.00 71.45 H new ATOM 0 HE2 LYS A 30 32.065 10.892 19.319 1.00 33.44 H new ATOM 0 HE3 LYS A 30 30.889 10.224 18.204 1.00 33.44 H new ATOM 0 HZ1 LYS A 30 29.942 10.971 20.349 1.00 74.43 H new ATOM 0 HZ2 LYS A 30 29.628 9.336 20.016 1.00 74.43 H new ATOM 0 HZ3 LYS A 30 30.826 9.758 21.143 1.00 74.43 H new ATOM 391 N VAL A 31 29.376 3.812 18.124 1.00 73.21 N ATOM 392 CA VAL A 31 28.811 3.159 16.949 1.00 72.00 C ATOM 393 C VAL A 31 27.469 3.776 16.569 1.00 23.43 C ATOM 394 O VAL A 31 26.556 3.856 17.391 1.00 72.32 O ATOM 395 CB VAL A 31 28.621 1.648 17.183 1.00 42.40 C ATOM 396 CG1 VAL A 31 27.718 1.403 18.382 1.00 24.12 C ATOM 397 CG2 VAL A 31 28.058 0.983 15.936 1.00 2.12 C ATOM 0 H VAL A 31 29.017 3.464 19.013 1.00 73.21 H new ATOM 0 HA VAL A 31 29.519 3.307 16.134 1.00 72.00 H new ATOM 0 HB VAL A 31 29.594 1.205 17.395 1.00 42.40 H new ATOM 0 HG11 VAL A 31 27.595 0.330 18.532 1.00 24.12 H new ATOM 0 HG12 VAL A 31 28.167 1.845 19.272 1.00 24.12 H new ATOM 0 HG13 VAL A 31 26.744 1.858 18.203 1.00 24.12 H new ATOM 0 HG21 VAL A 31 27.930 -0.084 16.119 1.00 2.12 H new ATOM 0 HG22 VAL A 31 27.093 1.427 15.691 1.00 2.12 H new ATOM 0 HG23 VAL A 31 28.747 1.128 15.104 1.00 2.12 H new ATOM 407 N VAL A 32 27.357 4.210 15.318 1.00 12.42 N ATOM 408 CA VAL A 32 26.126 4.819 14.828 1.00 31.10 C ATOM 409 C VAL A 32 25.545 4.023 13.664 1.00 1.44 C ATOM 410 O VAL A 32 26.276 3.375 12.917 1.00 73.31 O ATOM 411 CB VAL A 32 26.360 6.273 14.376 1.00 72.42 C ATOM 412 CG1 VAL A 32 26.988 7.086 15.497 1.00 15.41 C ATOM 413 CG2 VAL A 32 27.230 6.309 13.128 1.00 33.43 C ATOM 0 H VAL A 32 28.103 4.151 14.625 1.00 12.42 H new ATOM 0 HA VAL A 32 25.418 4.814 15.657 1.00 31.10 H new ATOM 0 HB VAL A 32 25.396 6.719 14.132 1.00 72.42 H new ATOM 0 HG11 VAL A 32 27.146 8.110 15.159 1.00 15.41 H new ATOM 0 HG12 VAL A 32 26.324 7.087 16.362 1.00 15.41 H new ATOM 0 HG13 VAL A 32 27.945 6.644 15.775 1.00 15.41 H new ATOM 0 HG21 VAL A 32 27.385 7.344 12.822 1.00 33.43 H new ATOM 0 HG22 VAL A 32 28.193 5.846 13.342 1.00 33.43 H new ATOM 0 HG23 VAL A 32 26.736 5.764 12.324 1.00 33.43 H new ATOM 423 N ASN A 33 24.225 4.079 13.517 1.00 24.11 N ATOM 424 CA ASN A 33 23.545 3.363 12.444 1.00 44.14 C ATOM 425 C ASN A 33 22.676 4.311 11.623 1.00 0.11 C ATOM 426 O ASN A 33 22.206 5.331 12.126 1.00 30.15 O ATOM 427 CB ASN A 33 22.687 2.235 13.019 1.00 72.22 C ATOM 428 CG ASN A 33 23.518 1.169 13.706 1.00 70.41 C ATOM 429 OD1 ASN A 33 24.590 1.451 14.242 1.00 72.11 O ATOM 430 ND2 ASN A 33 23.026 -0.065 13.693 1.00 51.22 N ATOM 0 H ASN A 33 23.606 4.612 14.127 1.00 24.11 H new ATOM 0 HA ASN A 33 24.304 2.935 11.789 1.00 44.14 H new ATOM 0 HB2 ASN A 33 21.974 2.651 13.731 1.00 72.22 H new ATOM 0 HB3 ASN A 33 22.107 1.779 12.217 1.00 72.22 H new ATOM 0 HD21 ASN A 33 23.541 -0.824 14.139 1.00 51.22 H new ATOM 0 HD22 ASN A 33 22.133 -0.253 13.237 1.00 51.22 H new ATOM 437 N ALA A 34 22.466 3.966 10.357 1.00 44.32 N ATOM 438 CA ALA A 34 21.652 4.785 9.467 1.00 33.52 C ATOM 439 C ALA A 34 20.232 4.931 10.003 1.00 13.53 C ATOM 440 O ALA A 34 19.531 5.889 9.676 1.00 14.23 O ATOM 441 CB ALA A 34 21.631 4.184 8.069 1.00 33.04 C ATOM 0 H ALA A 34 22.848 3.125 9.925 1.00 44.32 H new ATOM 0 HA ALA A 34 22.098 5.778 9.417 1.00 33.52 H new ATOM 0 HB1 ALA A 34 21.020 4.806 7.415 1.00 33.04 H new ATOM 0 HB2 ALA A 34 22.647 4.136 7.678 1.00 33.04 H new ATOM 0 HB3 ALA A 34 21.211 3.179 8.111 1.00 33.04 H new ATOM 447 N ASP A 35 19.814 3.977 10.827 1.00 33.11 N ATOM 448 CA ASP A 35 18.477 4.000 11.409 1.00 53.40 C ATOM 449 C ASP A 35 18.411 4.976 12.580 1.00 52.01 C ATOM 450 O ASP A 35 17.344 5.491 12.913 1.00 61.31 O ATOM 451 CB ASP A 35 18.074 2.600 11.873 1.00 65.41 C ATOM 452 CG ASP A 35 18.019 1.605 10.730 1.00 25.11 C ATOM 453 OD1 ASP A 35 19.058 1.408 10.065 1.00 33.11 O ATOM 454 OD2 ASP A 35 16.938 1.024 10.500 1.00 31.02 O ATOM 0 H ASP A 35 20.382 3.177 11.107 1.00 33.11 H new ATOM 0 HA ASP A 35 17.779 4.334 10.641 1.00 53.40 H new ATOM 0 HB2 ASP A 35 18.785 2.250 12.622 1.00 65.41 H new ATOM 0 HB3 ASP A 35 17.098 2.647 12.357 1.00 65.41 H new ATOM 459 N GLY A 36 19.559 5.225 13.202 1.00 63.11 N ATOM 460 CA GLY A 36 19.610 6.137 14.330 1.00 73.14 C ATOM 461 C GLY A 36 20.210 5.497 15.566 1.00 11.50 C ATOM 462 O GLY A 36 20.941 6.145 16.315 1.00 33.22 O ATOM 0 H GLY A 36 20.455 4.811 12.945 1.00 63.11 H new ATOM 0 HA2 GLY A 36 20.197 7.014 14.058 1.00 73.14 H new ATOM 0 HA3 GLY A 36 18.603 6.485 14.558 1.00 73.14 H new ATOM 466 N ALA A 37 19.900 4.223 15.781 1.00 14.22 N ATOM 467 CA ALA A 37 20.414 3.496 16.935 1.00 13.21 C ATOM 468 C ALA A 37 21.929 3.630 17.038 1.00 63.25 C ATOM 469 O ALA A 37 22.657 3.263 16.116 1.00 50.15 O ATOM 470 CB ALA A 37 20.015 2.030 16.855 1.00 24.13 C ATOM 0 H ALA A 37 19.295 3.673 15.171 1.00 14.22 H new ATOM 0 HA ALA A 37 19.976 3.932 17.833 1.00 13.21 H new ATOM 0 HB1 ALA A 37 20.405 1.499 17.723 1.00 24.13 H new ATOM 0 HB2 ALA A 37 18.928 1.949 16.839 1.00 24.13 H new ATOM 0 HB3 ALA A 37 20.425 1.590 15.946 1.00 24.13 H new ATOM 476 N GLU A 38 22.398 4.158 18.164 1.00 35.32 N ATOM 477 CA GLU A 38 23.827 4.341 18.385 1.00 62.42 C ATOM 478 C GLU A 38 24.162 4.270 19.872 1.00 13.11 C ATOM 479 O GLU A 38 23.287 4.425 20.724 1.00 51.24 O ATOM 480 CB GLU A 38 24.287 5.682 17.811 1.00 51.43 C ATOM 481 CG GLU A 38 23.668 6.885 18.503 1.00 22.14 C ATOM 482 CD GLU A 38 23.723 8.140 17.654 1.00 62.31 C ATOM 483 OE1 GLU A 38 23.631 8.020 16.414 1.00 5.51 O ATOM 484 OE2 GLU A 38 23.858 9.240 18.228 1.00 2.22 O ATOM 0 H GLU A 38 21.809 4.467 18.937 1.00 35.32 H new ATOM 0 HA GLU A 38 24.353 3.535 17.873 1.00 62.42 H new ATOM 0 HB2 GLU A 38 25.372 5.748 17.888 1.00 51.43 H new ATOM 0 HB3 GLU A 38 24.040 5.717 16.750 1.00 51.43 H new ATOM 0 HG2 GLU A 38 22.630 6.663 18.749 1.00 22.14 H new ATOM 0 HG3 GLU A 38 24.187 7.065 19.444 1.00 22.14 H new ATOM 491 N MET A 39 25.434 4.034 20.176 1.00 52.31 N ATOM 492 CA MET A 39 25.884 3.944 21.560 1.00 64.31 C ATOM 493 C MET A 39 27.385 4.198 21.661 1.00 61.32 C ATOM 494 O MET A 39 28.149 3.825 20.770 1.00 21.13 O ATOM 495 CB MET A 39 25.548 2.568 22.139 1.00 1.11 C ATOM 496 CG MET A 39 26.538 1.484 21.745 1.00 5.34 C ATOM 497 SD MET A 39 27.749 1.146 23.039 1.00 54.14 S ATOM 498 CE MET A 39 28.576 -0.291 22.361 1.00 50.54 C ATOM 0 H MET A 39 26.171 3.902 19.483 1.00 52.31 H new ATOM 0 HA MET A 39 25.364 4.710 22.136 1.00 64.31 H new ATOM 0 HB2 MET A 39 25.513 2.639 23.226 1.00 1.11 H new ATOM 0 HB3 MET A 39 24.552 2.277 21.807 1.00 1.11 H new ATOM 0 HG2 MET A 39 25.995 0.568 21.513 1.00 5.34 H new ATOM 0 HG3 MET A 39 27.058 1.785 20.836 1.00 5.34 H new ATOM 0 HE1 MET A 39 29.584 -0.358 22.771 1.00 50.54 H new ATOM 0 HE2 MET A 39 28.017 -1.190 22.622 1.00 50.54 H new ATOM 0 HE3 MET A 39 28.631 -0.201 21.276 1.00 50.54 H new ATOM 508 N PHE A 40 27.801 4.835 22.751 1.00 71.44 N ATOM 509 CA PHE A 40 29.210 5.140 22.967 1.00 64.42 C ATOM 510 C PHE A 40 29.667 4.658 24.341 1.00 74.32 C ATOM 511 O PHE A 40 28.900 4.678 25.304 1.00 22.02 O ATOM 512 CB PHE A 40 29.455 6.644 22.835 1.00 54.25 C ATOM 513 CG PHE A 40 28.872 7.447 23.962 1.00 3.42 C ATOM 514 CD1 PHE A 40 27.527 7.781 23.971 1.00 63.44 C ATOM 515 CD2 PHE A 40 29.670 7.869 25.014 1.00 35.21 C ATOM 516 CE1 PHE A 40 26.989 8.520 25.007 1.00 43.34 C ATOM 517 CE2 PHE A 40 29.137 8.608 26.053 1.00 11.43 C ATOM 518 CZ PHE A 40 27.795 8.934 26.050 1.00 73.41 C ATOM 0 H PHE A 40 27.182 5.150 23.498 1.00 71.44 H new ATOM 0 HA PHE A 40 29.789 4.616 22.206 1.00 64.42 H new ATOM 0 HB2 PHE A 40 30.529 6.826 22.787 1.00 54.25 H new ATOM 0 HB3 PHE A 40 29.030 6.992 21.894 1.00 54.25 H new ATOM 0 HD1 PHE A 40 26.892 7.460 23.159 1.00 63.44 H new ATOM 0 HD2 PHE A 40 30.720 7.617 25.022 1.00 35.21 H new ATOM 0 HE1 PHE A 40 25.939 8.774 25.002 1.00 43.34 H new ATOM 0 HE2 PHE A 40 29.770 8.930 26.867 1.00 11.43 H new ATOM 0 HZ PHE A 40 27.376 9.511 26.861 1.00 73.41 H new ATOM 528 N PHE A 41 30.920 4.224 24.423 1.00 70.10 N ATOM 529 CA PHE A 41 31.479 3.735 25.678 1.00 61.01 C ATOM 530 C PHE A 41 33.004 3.780 25.648 1.00 60.30 C ATOM 531 O PHE A 41 33.616 3.739 24.580 1.00 30.15 O ATOM 532 CB PHE A 41 31.005 2.306 25.950 1.00 72.14 C ATOM 533 CG PHE A 41 30.472 2.105 27.339 1.00 13.24 C ATOM 534 CD1 PHE A 41 31.335 1.918 28.407 1.00 62.24 C ATOM 535 CD2 PHE A 41 29.107 2.104 27.578 1.00 32.55 C ATOM 536 CE1 PHE A 41 30.848 1.733 29.687 1.00 51.31 C ATOM 537 CE2 PHE A 41 28.614 1.920 28.857 1.00 72.15 C ATOM 538 CZ PHE A 41 29.485 1.733 29.912 1.00 43.32 C ATOM 0 H PHE A 41 31.568 4.201 23.635 1.00 70.10 H new ATOM 0 HA PHE A 41 31.129 4.385 26.480 1.00 61.01 H new ATOM 0 HB2 PHE A 41 30.228 2.046 25.231 1.00 72.14 H new ATOM 0 HB3 PHE A 41 31.835 1.619 25.785 1.00 72.14 H new ATOM 0 HD1 PHE A 41 32.402 1.917 28.237 1.00 62.24 H new ATOM 0 HD2 PHE A 41 28.421 2.248 26.757 1.00 32.55 H new ATOM 0 HE1 PHE A 41 31.532 1.589 30.510 1.00 51.31 H new ATOM 0 HE2 PHE A 41 27.548 1.923 29.031 1.00 72.15 H new ATOM 0 HZ PHE A 41 29.101 1.587 30.911 1.00 43.32 H new ATOM 548 N ARG A 42 33.611 3.864 26.827 1.00 12.53 N ATOM 549 CA ARG A 42 35.064 3.917 26.937 1.00 34.21 C ATOM 550 C ARG A 42 35.639 2.529 27.205 1.00 51.03 C ATOM 551 O ARG A 42 35.387 1.934 28.253 1.00 61.43 O ATOM 552 CB ARG A 42 35.478 4.876 28.054 1.00 12.42 C ATOM 553 CG ARG A 42 34.848 4.554 29.399 1.00 33.41 C ATOM 554 CD ARG A 42 33.962 5.689 29.886 1.00 14.41 C ATOM 555 NE ARG A 42 33.501 5.476 31.255 1.00 32.44 N ATOM 556 CZ ARG A 42 32.664 6.293 31.885 1.00 23.03 C ATOM 557 NH1 ARG A 42 32.199 7.373 31.272 1.00 62.50 N ATOM 558 NH2 ARG A 42 32.291 6.031 33.131 1.00 30.23 N ATOM 0 H ARG A 42 33.119 3.897 27.720 1.00 12.53 H new ATOM 0 HA ARG A 42 35.462 4.281 25.990 1.00 34.21 H new ATOM 0 HB2 ARG A 42 36.563 4.854 28.156 1.00 12.42 H new ATOM 0 HB3 ARG A 42 35.205 5.892 27.769 1.00 12.42 H new ATOM 0 HG2 ARG A 42 34.259 3.641 29.316 1.00 33.41 H new ATOM 0 HG3 ARG A 42 35.631 4.362 30.132 1.00 33.41 H new ATOM 0 HD2 ARG A 42 34.513 6.628 29.831 1.00 14.41 H new ATOM 0 HD3 ARG A 42 33.101 5.786 29.225 1.00 14.41 H new ATOM 0 HE ARG A 42 33.840 4.654 31.755 1.00 32.44 H new ATOM 0 HH11 ARG A 42 32.484 7.578 30.314 1.00 62.50 H new ATOM 0 HH12 ARG A 42 31.556 7.998 31.758 1.00 62.50 H new ATOM 0 HH21 ARG A 42 32.647 5.202 33.606 1.00 30.23 H new ATOM 0 HH22 ARG A 42 31.648 6.659 33.614 1.00 30.23 H new ATOM 572 N ILE A 43 36.411 2.020 26.251 1.00 43.44 N ATOM 573 CA ILE A 43 37.022 0.704 26.384 1.00 62.21 C ATOM 574 C ILE A 43 38.478 0.725 25.930 1.00 31.41 C ATOM 575 O ILE A 43 38.879 1.573 25.133 1.00 64.52 O ATOM 576 CB ILE A 43 36.258 -0.357 25.570 1.00 54.32 C ATOM 577 CG1 ILE A 43 34.752 -0.228 25.811 1.00 60.32 C ATOM 578 CG2 ILE A 43 36.740 -1.753 25.933 1.00 4.11 C ATOM 579 CD1 ILE A 43 34.338 -0.547 27.230 1.00 31.03 C ATOM 0 H ILE A 43 36.628 2.499 25.377 1.00 43.44 H new ATOM 0 HA ILE A 43 36.977 0.441 27.441 1.00 62.21 H new ATOM 0 HB ILE A 43 36.454 -0.191 24.511 1.00 54.32 H new ATOM 0 HG12 ILE A 43 34.439 0.788 25.570 1.00 60.32 H new ATOM 0 HG13 ILE A 43 34.225 -0.895 25.129 1.00 60.32 H new ATOM 0 HG21 ILE A 43 36.190 -2.491 25.349 1.00 4.11 H new ATOM 0 HG22 ILE A 43 37.805 -1.838 25.716 1.00 4.11 H new ATOM 0 HG23 ILE A 43 36.571 -1.932 26.995 1.00 4.11 H new ATOM 0 HD11 ILE A 43 33.258 -0.435 27.328 1.00 31.03 H new ATOM 0 HD12 ILE A 43 34.620 -1.572 27.469 1.00 31.03 H new ATOM 0 HD13 ILE A 43 34.837 0.136 27.917 1.00 31.03 H new ATOM 591 N LYS A 44 39.265 -0.216 26.442 1.00 51.41 N ATOM 592 CA LYS A 44 40.676 -0.309 26.088 1.00 43.22 C ATOM 593 C LYS A 44 40.856 -0.340 24.574 1.00 45.15 C ATOM 594 O LYS A 44 40.122 -1.028 23.865 1.00 34.35 O ATOM 595 CB LYS A 44 41.298 -1.560 26.712 1.00 62.11 C ATOM 596 CG LYS A 44 41.982 -1.300 28.043 1.00 33.42 C ATOM 597 CD LYS A 44 43.495 -1.358 27.914 1.00 54.31 C ATOM 598 CE LYS A 44 43.979 -2.778 27.664 1.00 2.33 C ATOM 599 NZ LYS A 44 44.492 -3.416 28.908 1.00 15.35 N ATOM 0 H LYS A 44 38.949 -0.925 27.104 1.00 51.41 H new ATOM 0 HA LYS A 44 41.182 0.574 26.478 1.00 43.22 H new ATOM 0 HB2 LYS A 44 40.520 -2.310 26.853 1.00 62.11 H new ATOM 0 HB3 LYS A 44 42.024 -1.980 26.016 1.00 62.11 H new ATOM 0 HG2 LYS A 44 41.685 -0.321 28.420 1.00 33.42 H new ATOM 0 HG3 LYS A 44 41.650 -2.037 28.774 1.00 33.42 H new ATOM 0 HD2 LYS A 44 43.816 -0.714 27.096 1.00 54.31 H new ATOM 0 HD3 LYS A 44 43.954 -0.971 28.824 1.00 54.31 H new ATOM 0 HE2 LYS A 44 43.161 -3.375 27.260 1.00 2.33 H new ATOM 0 HE3 LYS A 44 44.767 -2.766 26.911 1.00 2.33 H new ATOM 0 HZ1 LYS A 44 44.383 -4.448 28.839 1.00 15.35 H new ATOM 0 HZ2 LYS A 44 45.498 -3.182 29.029 1.00 15.35 H new ATOM 0 HZ3 LYS A 44 43.954 -3.064 29.726 1.00 15.35 H new ATOM 613 N SER A 45 41.839 0.409 24.084 1.00 64.25 N ATOM 614 CA SER A 45 42.114 0.468 22.653 1.00 44.53 C ATOM 615 C SER A 45 42.550 -0.896 22.126 1.00 53.41 C ATOM 616 O SER A 45 42.541 -1.139 20.919 1.00 5.50 O ATOM 617 CB SER A 45 43.198 1.509 22.363 1.00 12.11 C ATOM 618 OG SER A 45 43.665 2.105 23.561 1.00 44.34 O ATOM 0 H SER A 45 42.458 0.983 24.657 1.00 64.25 H new ATOM 0 HA SER A 45 41.195 0.758 22.144 1.00 44.53 H new ATOM 0 HB2 SER A 45 44.029 1.037 21.840 1.00 12.11 H new ATOM 0 HB3 SER A 45 42.800 2.278 21.701 1.00 12.11 H new ATOM 0 HG SER A 45 44.211 2.890 23.345 1.00 44.34 H new ATOM 624 N ARG A 46 42.930 -1.782 23.040 1.00 34.21 N ATOM 625 CA ARG A 46 43.370 -3.122 22.669 1.00 53.41 C ATOM 626 C ARG A 46 42.185 -4.080 22.589 1.00 24.42 C ATOM 627 O ARG A 46 42.361 -5.291 22.448 1.00 35.33 O ATOM 628 CB ARG A 46 44.394 -3.643 23.678 1.00 5.21 C ATOM 629 CG ARG A 46 45.595 -2.727 23.855 1.00 32.33 C ATOM 630 CD ARG A 46 46.793 -3.219 23.058 1.00 53.21 C ATOM 631 NE ARG A 46 47.985 -2.414 23.309 1.00 22.15 N ATOM 632 CZ ARG A 46 49.147 -2.609 22.695 1.00 34.31 C ATOM 633 NH1 ARG A 46 49.271 -3.577 21.797 1.00 21.14 N ATOM 634 NH2 ARG A 46 50.187 -1.835 22.978 1.00 75.21 N ATOM 0 H ARG A 46 42.942 -1.597 24.043 1.00 34.21 H new ATOM 0 HA ARG A 46 43.836 -3.065 21.685 1.00 53.41 H new ATOM 0 HB2 ARG A 46 43.905 -3.778 24.643 1.00 5.21 H new ATOM 0 HB3 ARG A 46 44.741 -4.625 23.357 1.00 5.21 H new ATOM 0 HG2 ARG A 46 45.334 -1.718 23.536 1.00 32.33 H new ATOM 0 HG3 ARG A 46 45.858 -2.670 24.911 1.00 32.33 H new ATOM 0 HD2 ARG A 46 46.997 -4.259 23.315 1.00 53.21 H new ATOM 0 HD3 ARG A 46 46.556 -3.194 21.994 1.00 53.21 H new ATOM 0 HE ARG A 46 47.922 -1.660 23.993 1.00 22.15 H new ATOM 0 HH11 ARG A 46 48.473 -4.173 21.577 1.00 21.14 H new ATOM 0 HH12 ARG A 46 50.164 -3.725 21.327 1.00 21.14 H new ATOM 0 HH21 ARG A 46 50.095 -1.089 23.668 1.00 75.21 H new ATOM 0 HH22 ARG A 46 51.078 -1.986 22.506 1.00 75.21 H new ATOM 648 N THR A 47 40.978 -3.531 22.681 1.00 42.23 N ATOM 649 CA THR A 47 39.765 -4.336 22.621 1.00 62.33 C ATOM 650 C THR A 47 38.520 -3.466 22.749 1.00 3.11 C ATOM 651 O THR A 47 37.962 -3.322 23.836 1.00 14.00 O ATOM 652 CB THR A 47 39.746 -5.406 23.729 1.00 60.44 C ATOM 653 OG1 THR A 47 40.730 -5.100 24.723 1.00 61.03 O ATOM 654 CG2 THR A 47 40.014 -6.788 23.151 1.00 2.02 C ATOM 0 H THR A 47 40.815 -2.531 22.797 1.00 42.23 H new ATOM 0 HA THR A 47 39.761 -4.829 21.649 1.00 62.33 H new ATOM 0 HB THR A 47 38.757 -5.406 24.186 1.00 60.44 H new ATOM 0 HG1 THR A 47 40.710 -5.784 25.424 1.00 61.03 H new ATOM 0 HG21 THR A 47 39.996 -7.527 23.952 1.00 2.02 H new ATOM 0 HG22 THR A 47 39.246 -7.030 22.416 1.00 2.02 H new ATOM 0 HG23 THR A 47 40.992 -6.798 22.670 1.00 2.02 H new ATOM 662 N ALA A 48 38.090 -2.888 21.632 1.00 4.13 N ATOM 663 CA ALA A 48 36.909 -2.034 21.620 1.00 3.30 C ATOM 664 C ALA A 48 35.977 -2.403 20.471 1.00 11.42 C ATOM 665 O ALA A 48 34.807 -2.724 20.686 1.00 64.30 O ATOM 666 CB ALA A 48 37.317 -0.571 21.523 1.00 71.03 C ATOM 0 H ALA A 48 38.542 -2.996 20.724 1.00 4.13 H new ATOM 0 HA ALA A 48 36.369 -2.188 22.554 1.00 3.30 H new ATOM 0 HB1 ALA A 48 36.425 0.056 21.515 1.00 71.03 H new ATOM 0 HB2 ALA A 48 37.937 -0.309 22.380 1.00 71.03 H new ATOM 0 HB3 ALA A 48 37.881 -0.411 20.604 1.00 71.03 H new ATOM 672 N LEU A 49 36.501 -2.353 19.251 1.00 34.44 N ATOM 673 CA LEU A 49 35.714 -2.682 18.067 1.00 4.03 C ATOM 674 C LEU A 49 35.330 -4.158 18.061 1.00 23.12 C ATOM 675 O LEU A 49 34.265 -4.532 17.570 1.00 13.23 O ATOM 676 CB LEU A 49 36.499 -2.342 16.799 1.00 24.22 C ATOM 677 CG LEU A 49 35.794 -1.427 15.798 1.00 73.22 C ATOM 678 CD1 LEU A 49 34.365 -1.893 15.564 1.00 10.11 C ATOM 679 CD2 LEU A 49 35.814 0.014 16.286 1.00 32.12 C ATOM 0 H LEU A 49 37.466 -2.088 19.056 1.00 34.44 H new ATOM 0 HA LEU A 49 34.800 -2.088 18.092 1.00 4.03 H new ATOM 0 HB2 LEU A 49 37.438 -1.872 17.092 1.00 24.22 H new ATOM 0 HB3 LEU A 49 36.754 -3.273 16.293 1.00 24.22 H new ATOM 0 HG LEU A 49 36.330 -1.476 14.850 1.00 73.22 H new ATOM 0 HD11 LEU A 49 33.879 -1.230 14.849 1.00 10.11 H new ATOM 0 HD12 LEU A 49 34.374 -2.909 15.169 1.00 10.11 H new ATOM 0 HD13 LEU A 49 33.817 -1.875 16.506 1.00 10.11 H new ATOM 0 HD21 LEU A 49 35.308 0.651 15.561 1.00 32.12 H new ATOM 0 HD22 LEU A 49 35.303 0.080 17.246 1.00 32.12 H new ATOM 0 HD23 LEU A 49 36.846 0.345 16.401 1.00 32.12 H new ATOM 691 N LYS A 50 36.204 -4.994 18.612 1.00 44.24 N ATOM 692 CA LYS A 50 35.957 -6.429 18.674 1.00 73.45 C ATOM 693 C LYS A 50 34.782 -6.739 19.595 1.00 34.53 C ATOM 694 O LYS A 50 33.879 -7.495 19.235 1.00 54.13 O ATOM 695 CB LYS A 50 37.208 -7.163 19.161 1.00 62.23 C ATOM 696 CG LYS A 50 38.435 -6.910 18.302 1.00 50.42 C ATOM 697 CD LYS A 50 38.478 -7.842 17.102 1.00 2.54 C ATOM 698 CE LYS A 50 38.986 -9.223 17.488 1.00 53.43 C ATOM 699 NZ LYS A 50 40.375 -9.458 17.005 1.00 54.12 N ATOM 0 H LYS A 50 37.091 -4.701 19.022 1.00 44.24 H new ATOM 0 HA LYS A 50 35.710 -6.773 17.670 1.00 73.45 H new ATOM 0 HB2 LYS A 50 37.423 -6.858 20.185 1.00 62.23 H new ATOM 0 HB3 LYS A 50 37.005 -8.234 19.184 1.00 62.23 H new ATOM 0 HG2 LYS A 50 38.434 -5.875 17.960 1.00 50.42 H new ATOM 0 HG3 LYS A 50 39.335 -7.046 18.902 1.00 50.42 H new ATOM 0 HD2 LYS A 50 37.481 -7.927 16.670 1.00 2.54 H new ATOM 0 HD3 LYS A 50 39.123 -7.417 16.333 1.00 2.54 H new ATOM 0 HE2 LYS A 50 38.955 -9.331 18.572 1.00 53.43 H new ATOM 0 HE3 LYS A 50 38.324 -9.983 17.073 1.00 53.43 H new ATOM 0 HZ1 LYS A 50 40.685 -10.410 17.288 1.00 54.12 H new ATOM 0 HZ2 LYS A 50 40.400 -9.380 15.968 1.00 54.12 H new ATOM 0 HZ3 LYS A 50 41.012 -8.749 17.421 1.00 54.12 H new ATOM 713 N LYS A 51 34.798 -6.151 20.786 1.00 3.33 N ATOM 714 CA LYS A 51 33.733 -6.361 21.759 1.00 22.35 C ATOM 715 C LYS A 51 32.455 -5.649 21.330 1.00 51.52 C ATOM 716 O LYS A 51 31.350 -6.078 21.664 1.00 70.52 O ATOM 717 CB LYS A 51 34.169 -5.862 23.139 1.00 31.31 C ATOM 718 CG LYS A 51 35.313 -6.659 23.741 1.00 63.34 C ATOM 719 CD LYS A 51 35.009 -7.082 25.168 1.00 11.42 C ATOM 720 CE LYS A 51 35.909 -8.223 25.616 1.00 44.31 C ATOM 721 NZ LYS A 51 36.961 -7.760 26.563 1.00 65.31 N ATOM 0 H LYS A 51 35.538 -5.524 21.101 1.00 3.33 H new ATOM 0 HA LYS A 51 33.531 -7.431 21.813 1.00 22.35 H new ATOM 0 HB2 LYS A 51 34.468 -4.817 23.060 1.00 31.31 H new ATOM 0 HB3 LYS A 51 33.315 -5.900 23.816 1.00 31.31 H new ATOM 0 HG2 LYS A 51 35.502 -7.543 23.131 1.00 63.34 H new ATOM 0 HG3 LYS A 51 36.223 -6.060 23.725 1.00 63.34 H new ATOM 0 HD2 LYS A 51 35.139 -6.231 25.836 1.00 11.42 H new ATOM 0 HD3 LYS A 51 33.966 -7.389 25.243 1.00 11.42 H new ATOM 0 HE2 LYS A 51 35.306 -8.996 26.093 1.00 44.31 H new ATOM 0 HE3 LYS A 51 36.380 -8.678 24.745 1.00 44.31 H new ATOM 0 HZ1 LYS A 51 37.554 -8.567 26.845 1.00 65.31 H new ATOM 0 HZ2 LYS A 51 37.553 -7.041 26.100 1.00 65.31 H new ATOM 0 HZ3 LYS A 51 36.512 -7.349 27.406 1.00 65.31 H new ATOM 735 N LEU A 52 32.612 -4.559 20.587 1.00 51.42 N ATOM 736 CA LEU A 52 31.470 -3.787 20.110 1.00 53.24 C ATOM 737 C LEU A 52 30.694 -4.561 19.048 1.00 24.03 C ATOM 738 O LEU A 52 29.482 -4.743 19.161 1.00 53.43 O ATOM 739 CB LEU A 52 31.937 -2.446 19.540 1.00 60.43 C ATOM 740 CG LEU A 52 31.744 -1.229 20.444 1.00 5.33 C ATOM 741 CD1 LEU A 52 32.246 -1.523 21.850 1.00 73.24 C ATOM 742 CD2 LEU A 52 32.458 -0.016 19.865 1.00 52.21 C ATOM 0 H LEU A 52 33.519 -4.190 20.302 1.00 51.42 H new ATOM 0 HA LEU A 52 30.808 -3.604 20.957 1.00 53.24 H new ATOM 0 HB2 LEU A 52 32.996 -2.527 19.295 1.00 60.43 H new ATOM 0 HB3 LEU A 52 31.406 -2.267 18.605 1.00 60.43 H new ATOM 0 HG LEU A 52 30.678 -1.007 20.499 1.00 5.33 H new ATOM 0 HD11 LEU A 52 32.100 -0.645 22.479 1.00 73.24 H new ATOM 0 HD12 LEU A 52 31.691 -2.364 22.266 1.00 73.24 H new ATOM 0 HD13 LEU A 52 33.307 -1.771 21.813 1.00 73.24 H new ATOM 0 HD21 LEU A 52 32.310 0.841 20.522 1.00 52.21 H new ATOM 0 HD22 LEU A 52 33.524 -0.228 19.780 1.00 52.21 H new ATOM 0 HD23 LEU A 52 32.052 0.208 18.878 1.00 52.21 H new ATOM 754 N ILE A 53 31.403 -5.016 18.020 1.00 34.44 N ATOM 755 CA ILE A 53 30.781 -5.774 16.941 1.00 22.02 C ATOM 756 C ILE A 53 30.337 -7.151 17.421 1.00 30.55 C ATOM 757 O ILE A 53 29.337 -7.693 16.948 1.00 4.54 O ATOM 758 CB ILE A 53 31.740 -5.943 15.748 1.00 71.42 C ATOM 759 CG1 ILE A 53 31.040 -6.681 14.604 1.00 2.23 C ATOM 760 CG2 ILE A 53 32.994 -6.690 16.178 1.00 41.43 C ATOM 761 CD1 ILE A 53 31.549 -6.292 13.234 1.00 54.42 C ATOM 0 H ILE A 53 32.407 -4.873 17.912 1.00 34.44 H new ATOM 0 HA ILE A 53 29.908 -5.206 16.618 1.00 22.02 H new ATOM 0 HB ILE A 53 32.033 -4.955 15.393 1.00 71.42 H new ATOM 0 HG12 ILE A 53 31.172 -7.754 14.740 1.00 2.23 H new ATOM 0 HG13 ILE A 53 29.970 -6.482 14.655 1.00 2.23 H new ATOM 0 HG21 ILE A 53 33.662 -6.802 15.324 1.00 41.43 H new ATOM 0 HG22 ILE A 53 33.500 -6.129 16.964 1.00 41.43 H new ATOM 0 HG23 ILE A 53 32.719 -7.675 16.555 1.00 41.43 H new ATOM 0 HD11 ILE A 53 31.009 -6.854 12.472 1.00 54.42 H new ATOM 0 HD12 ILE A 53 31.393 -5.225 13.077 1.00 54.42 H new ATOM 0 HD13 ILE A 53 32.613 -6.517 13.164 1.00 54.42 H new ATOM 773 N ASP A 54 31.085 -7.713 18.365 1.00 41.41 N ATOM 774 CA ASP A 54 30.767 -9.026 18.912 1.00 22.33 C ATOM 775 C ASP A 54 29.514 -8.965 19.780 1.00 1.41 C ATOM 776 O ASP A 54 28.670 -9.861 19.737 1.00 42.54 O ATOM 777 CB ASP A 54 31.944 -9.560 19.731 1.00 12.30 C ATOM 778 CG ASP A 54 31.645 -10.903 20.367 1.00 61.34 C ATOM 779 OD1 ASP A 54 31.064 -11.769 19.679 1.00 33.12 O ATOM 780 OD2 ASP A 54 31.994 -11.089 21.551 1.00 35.40 O ATOM 0 H ASP A 54 31.916 -7.279 18.767 1.00 41.41 H new ATOM 0 HA ASP A 54 30.577 -9.703 18.079 1.00 22.33 H new ATOM 0 HB2 ASP A 54 32.818 -9.653 19.087 1.00 12.30 H new ATOM 0 HB3 ASP A 54 32.197 -8.841 20.510 1.00 12.30 H new ATOM 785 N THR A 55 29.399 -7.901 20.570 1.00 71.22 N ATOM 786 CA THR A 55 28.251 -7.723 21.450 1.00 73.44 C ATOM 787 C THR A 55 27.004 -7.345 20.658 1.00 45.15 C ATOM 788 O THR A 55 25.902 -7.803 20.960 1.00 42.33 O ATOM 789 CB THR A 55 28.519 -6.640 22.511 1.00 30.13 C ATOM 790 OG1 THR A 55 29.618 -7.030 23.342 1.00 3.10 O ATOM 791 CG2 THR A 55 27.285 -6.407 23.370 1.00 23.14 C ATOM 0 H THR A 55 30.087 -7.150 20.618 1.00 71.22 H new ATOM 0 HA THR A 55 28.085 -8.677 21.950 1.00 73.44 H new ATOM 0 HB THR A 55 28.765 -5.711 21.996 1.00 30.13 H new ATOM 0 HG1 THR A 55 30.447 -7.011 22.819 1.00 3.10 H new ATOM 0 HG21 THR A 55 27.498 -5.638 24.112 1.00 23.14 H new ATOM 0 HG22 THR A 55 26.458 -6.082 22.738 1.00 23.14 H new ATOM 0 HG23 THR A 55 27.013 -7.334 23.876 1.00 23.14 H new ATOM 799 N TYR A 56 27.186 -6.507 19.643 1.00 62.54 N ATOM 800 CA TYR A 56 26.075 -6.066 18.808 1.00 63.14 C ATOM 801 C TYR A 56 25.525 -7.222 17.977 1.00 3.32 C ATOM 802 O TYR A 56 24.311 -7.399 17.867 1.00 24.23 O ATOM 803 CB TYR A 56 26.522 -4.929 17.887 1.00 62.20 C ATOM 804 CG TYR A 56 26.014 -3.570 18.312 1.00 35.31 C ATOM 805 CD1 TYR A 56 24.713 -3.173 18.028 1.00 32.32 C ATOM 806 CD2 TYR A 56 26.834 -2.684 18.999 1.00 51.42 C ATOM 807 CE1 TYR A 56 24.244 -1.932 18.414 1.00 23.41 C ATOM 808 CE2 TYR A 56 26.373 -1.441 19.390 1.00 65.20 C ATOM 809 CZ TYR A 56 25.078 -1.070 19.095 1.00 63.02 C ATOM 810 OH TYR A 56 24.615 0.166 19.482 1.00 11.42 O ATOM 0 H TYR A 56 28.092 -6.120 19.379 1.00 62.54 H new ATOM 0 HA TYR A 56 25.283 -5.704 19.463 1.00 63.14 H new ATOM 0 HB2 TYR A 56 27.611 -4.906 17.854 1.00 62.20 H new ATOM 0 HB3 TYR A 56 26.177 -5.136 16.874 1.00 62.20 H new ATOM 0 HD1 TYR A 56 24.057 -3.846 17.496 1.00 32.32 H new ATOM 0 HD2 TYR A 56 27.849 -2.971 19.232 1.00 51.42 H new ATOM 0 HE1 TYR A 56 23.230 -1.639 18.184 1.00 23.41 H new ATOM 0 HE2 TYR A 56 27.024 -0.764 19.924 1.00 65.20 H new ATOM 0 HH TYR A 56 23.650 0.117 19.648 1.00 11.42 H new ATOM 820 N CYS A 57 26.427 -8.005 17.395 1.00 13.33 N ATOM 821 CA CYS A 57 26.033 -9.144 16.574 1.00 24.20 C ATOM 822 C CYS A 57 25.432 -10.252 17.433 1.00 12.41 C ATOM 823 O CYS A 57 24.440 -10.876 17.056 1.00 53.41 O ATOM 824 CB CYS A 57 27.238 -9.681 15.799 1.00 12.30 C ATOM 825 SG CYS A 57 27.738 -8.646 14.403 1.00 12.11 S ATOM 0 H CYS A 57 27.435 -7.872 17.476 1.00 13.33 H new ATOM 0 HA CYS A 57 25.276 -8.806 15.867 1.00 24.20 H new ATOM 0 HB2 CYS A 57 28.081 -9.782 16.483 1.00 12.30 H new ATOM 0 HB3 CYS A 57 27.004 -10.680 15.431 1.00 12.30 H new ATOM 0 HG CYS A 57 27.107 -9.027 13.332 1.00 12.11 H new ATOM 831 N LYS A 58 26.040 -10.492 18.590 1.00 73.22 N ATOM 832 CA LYS A 58 25.566 -11.525 19.504 1.00 55.33 C ATOM 833 C LYS A 58 24.226 -11.133 20.120 1.00 45.41 C ATOM 834 O LYS A 58 23.330 -11.964 20.264 1.00 21.31 O ATOM 835 CB LYS A 58 26.596 -11.769 20.609 1.00 54.32 C ATOM 836 CG LYS A 58 26.346 -13.039 21.403 1.00 10.03 C ATOM 837 CD LYS A 58 27.648 -13.729 21.775 1.00 74.33 C ATOM 838 CE LYS A 58 28.233 -13.161 23.058 1.00 24.02 C ATOM 839 NZ LYS A 58 28.421 -14.213 24.096 1.00 53.23 N ATOM 0 H LYS A 58 26.862 -9.985 18.917 1.00 73.22 H new ATOM 0 HA LYS A 58 25.429 -12.444 18.935 1.00 55.33 H new ATOM 0 HB2 LYS A 58 27.590 -11.819 20.164 1.00 54.32 H new ATOM 0 HB3 LYS A 58 26.594 -10.918 21.290 1.00 54.32 H new ATOM 0 HG2 LYS A 58 25.788 -12.799 22.308 1.00 10.03 H new ATOM 0 HG3 LYS A 58 25.727 -13.719 20.818 1.00 10.03 H new ATOM 0 HD2 LYS A 58 27.473 -14.798 21.896 1.00 74.33 H new ATOM 0 HD3 LYS A 58 28.367 -13.614 20.964 1.00 74.33 H new ATOM 0 HE2 LYS A 58 29.191 -12.689 22.842 1.00 24.02 H new ATOM 0 HE3 LYS A 58 27.574 -12.383 23.444 1.00 24.02 H new ATOM 0 HZ1 LYS A 58 28.822 -13.785 24.955 1.00 53.23 H new ATOM 0 HZ2 LYS A 58 27.503 -14.647 24.321 1.00 53.23 H new ATOM 0 HZ3 LYS A 58 29.070 -14.942 23.737 1.00 53.23 H new ATOM 853 N LYS A 59 24.096 -9.860 20.481 1.00 63.51 N ATOM 854 CA LYS A 59 22.866 -9.356 21.079 1.00 32.41 C ATOM 855 C LYS A 59 21.717 -9.397 20.076 1.00 1.24 C ATOM 856 O LYS A 59 20.619 -9.852 20.396 1.00 41.52 O ATOM 857 CB LYS A 59 23.068 -7.925 21.582 1.00 71.21 C ATOM 858 CG LYS A 59 23.777 -7.846 22.923 1.00 41.03 C ATOM 859 CD LYS A 59 24.084 -6.408 23.307 1.00 61.30 C ATOM 860 CE LYS A 59 22.811 -5.593 23.476 1.00 5.33 C ATOM 861 NZ LYS A 59 22.885 -4.689 24.657 1.00 0.33 N ATOM 0 H LYS A 59 24.828 -9.159 20.369 1.00 63.51 H new ATOM 0 HA LYS A 59 22.612 -9.998 21.922 1.00 32.41 H new ATOM 0 HB2 LYS A 59 23.643 -7.367 20.843 1.00 71.21 H new ATOM 0 HB3 LYS A 59 22.097 -7.437 21.665 1.00 71.21 H new ATOM 0 HG2 LYS A 59 23.155 -8.304 23.692 1.00 41.03 H new ATOM 0 HG3 LYS A 59 24.704 -8.418 22.880 1.00 41.03 H new ATOM 0 HD2 LYS A 59 24.654 -6.392 24.236 1.00 61.30 H new ATOM 0 HD3 LYS A 59 24.711 -5.951 22.541 1.00 61.30 H new ATOM 0 HE2 LYS A 59 22.636 -5.002 22.577 1.00 5.33 H new ATOM 0 HE3 LYS A 59 21.961 -6.266 23.586 1.00 5.33 H new ATOM 0 HZ1 LYS A 59 21.999 -4.151 24.738 1.00 0.33 H new ATOM 0 HZ2 LYS A 59 23.027 -5.254 25.518 1.00 0.33 H new ATOM 0 HZ3 LYS A 59 23.681 -4.030 24.540 1.00 0.33 H new ATOM 875 N GLN A 60 21.979 -8.920 18.864 1.00 40.13 N ATOM 876 CA GLN A 60 20.966 -8.903 17.815 1.00 42.11 C ATOM 877 C GLN A 60 20.540 -10.320 17.447 1.00 72.20 C ATOM 878 O GLN A 60 19.478 -10.527 16.860 1.00 24.45 O ATOM 879 CB GLN A 60 21.497 -8.179 16.576 1.00 32.40 C ATOM 880 CG GLN A 60 21.458 -6.664 16.693 1.00 74.31 C ATOM 881 CD GLN A 60 20.963 -5.994 15.426 1.00 5.22 C ATOM 882 OE1 GLN A 60 21.708 -5.274 14.760 1.00 62.43 O ATOM 883 NE2 GLN A 60 19.701 -6.227 15.087 1.00 41.35 N ATOM 0 H GLN A 60 22.883 -8.540 18.584 1.00 40.13 H new ATOM 0 HA GLN A 60 20.095 -8.368 18.194 1.00 42.11 H new ATOM 0 HB2 GLN A 60 22.524 -8.495 16.393 1.00 32.40 H new ATOM 0 HB3 GLN A 60 20.911 -8.483 15.709 1.00 32.40 H new ATOM 0 HG2 GLN A 60 20.811 -6.384 17.524 1.00 74.31 H new ATOM 0 HG3 GLN A 60 22.457 -6.296 16.928 1.00 74.31 H new ATOM 0 HE21 GLN A 60 19.120 -6.831 15.669 1.00 41.35 H new ATOM 0 HE22 GLN A 60 19.312 -5.803 14.245 1.00 41.35 H new ATOM 892 N GLY A 61 21.376 -11.294 17.796 1.00 55.04 N ATOM 893 CA GLY A 61 21.068 -12.680 17.493 1.00 14.52 C ATOM 894 C GLY A 61 21.467 -13.068 16.083 1.00 13.14 C ATOM 895 O GLY A 61 20.840 -13.932 15.470 1.00 62.41 O ATOM 0 H GLY A 61 22.260 -11.148 18.283 1.00 55.04 H new ATOM 0 HA2 GLY A 61 21.582 -13.327 18.204 1.00 14.52 H new ATOM 0 HA3 GLY A 61 19.999 -12.848 17.624 1.00 14.52 H new ATOM 899 N ILE A 62 22.510 -12.427 15.568 1.00 24.20 N ATOM 900 CA ILE A 62 22.991 -12.710 14.221 1.00 22.45 C ATOM 901 C ILE A 62 24.515 -12.755 14.180 1.00 71.41 C ATOM 902 O ILE A 62 25.188 -11.935 14.805 1.00 74.35 O ATOM 903 CB ILE A 62 22.492 -11.659 13.213 1.00 62.13 C ATOM 904 CG1 ILE A 62 22.963 -10.263 13.623 1.00 3.54 C ATOM 905 CG2 ILE A 62 20.975 -11.703 13.109 1.00 70.11 C ATOM 906 CD1 ILE A 62 24.265 -9.849 12.974 1.00 3.31 C ATOM 0 H ILE A 62 23.038 -11.708 16.063 1.00 24.20 H new ATOM 0 HA ILE A 62 22.593 -13.686 13.942 1.00 22.45 H new ATOM 0 HB ILE A 62 22.911 -11.890 12.233 1.00 62.13 H new ATOM 0 HG12 ILE A 62 22.191 -9.538 13.365 1.00 3.54 H new ATOM 0 HG13 ILE A 62 23.080 -10.232 14.706 1.00 3.54 H new ATOM 0 HG21 ILE A 62 20.638 -10.954 12.392 1.00 70.11 H new ATOM 0 HG22 ILE A 62 20.662 -12.692 12.775 1.00 70.11 H new ATOM 0 HG23 ILE A 62 20.537 -11.494 14.085 1.00 70.11 H new ATOM 0 HD11 ILE A 62 24.538 -8.849 13.311 1.00 3.31 H new ATOM 0 HD12 ILE A 62 25.050 -10.552 13.252 1.00 3.31 H new ATOM 0 HD13 ILE A 62 24.147 -9.847 11.890 1.00 3.31 H new ATOM 918 N SER A 63 25.053 -13.718 13.438 1.00 21.22 N ATOM 919 CA SER A 63 26.498 -13.872 13.316 1.00 0.21 C ATOM 920 C SER A 63 27.135 -12.598 12.768 1.00 23.35 C ATOM 921 O SER A 63 26.439 -11.665 12.368 1.00 30.24 O ATOM 922 CB SER A 63 26.831 -15.055 12.405 1.00 2.21 C ATOM 923 OG SER A 63 26.165 -16.231 12.832 1.00 44.40 O ATOM 0 H SER A 63 24.510 -14.403 12.912 1.00 21.22 H new ATOM 0 HA SER A 63 26.904 -14.063 14.309 1.00 0.21 H new ATOM 0 HB2 SER A 63 26.542 -14.821 11.380 1.00 2.21 H new ATOM 0 HB3 SER A 63 27.908 -15.224 12.402 1.00 2.21 H new ATOM 0 HG SER A 63 26.393 -16.972 12.233 1.00 44.40 H new ATOM 929 N ARG A 64 28.464 -12.568 12.754 1.00 11.03 N ATOM 930 CA ARG A 64 29.196 -11.409 12.257 1.00 23.54 C ATOM 931 C ARG A 64 29.330 -11.461 10.738 1.00 21.43 C ATOM 932 O ARG A 64 30.429 -11.344 10.198 1.00 51.02 O ATOM 933 CB ARG A 64 30.583 -11.342 12.900 1.00 11.01 C ATOM 934 CG ARG A 64 31.083 -9.924 13.121 1.00 3.14 C ATOM 935 CD ARG A 64 32.602 -9.873 13.186 1.00 13.31 C ATOM 936 NE ARG A 64 33.130 -10.677 14.285 1.00 42.32 N ATOM 937 CZ ARG A 64 34.340 -10.504 14.806 1.00 14.03 C ATOM 938 NH1 ARG A 64 35.141 -9.561 14.332 1.00 43.52 N ATOM 939 NH2 ARG A 64 34.749 -11.276 15.805 1.00 2.41 N ATOM 0 H ARG A 64 29.055 -13.332 13.081 1.00 11.03 H new ATOM 0 HA ARG A 64 28.635 -10.514 12.524 1.00 23.54 H new ATOM 0 HB2 ARG A 64 30.556 -11.862 13.857 1.00 11.01 H new ATOM 0 HB3 ARG A 64 31.294 -11.875 12.268 1.00 11.01 H new ATOM 0 HG2 ARG A 64 30.730 -9.283 12.313 1.00 3.14 H new ATOM 0 HG3 ARG A 64 30.665 -9.530 14.047 1.00 3.14 H new ATOM 0 HD2 ARG A 64 33.017 -10.230 12.244 1.00 13.31 H new ATOM 0 HD3 ARG A 64 32.925 -8.839 13.305 1.00 13.31 H new ATOM 0 HE ARG A 64 32.538 -11.411 14.674 1.00 42.32 H new ATOM 0 HH11 ARG A 64 34.829 -8.965 13.565 1.00 43.52 H new ATOM 0 HH12 ARG A 64 36.069 -9.431 14.734 1.00 43.52 H new ATOM 0 HH21 ARG A 64 34.134 -12.002 16.173 1.00 2.41 H new ATOM 0 HH22 ARG A 64 35.678 -11.143 16.205 1.00 2.41 H new ATOM 953 N ASN A 65 28.203 -11.639 10.056 1.00 44.41 N ATOM 954 CA ASN A 65 28.195 -11.707 8.599 1.00 31.31 C ATOM 955 C ASN A 65 26.994 -10.961 8.026 1.00 11.14 C ATOM 956 O ASN A 65 26.291 -11.471 7.154 1.00 65.03 O ATOM 957 CB ASN A 65 28.171 -13.166 8.137 1.00 41.43 C ATOM 958 CG ASN A 65 29.086 -14.049 8.963 1.00 60.03 C ATOM 959 OD1 ASN A 65 30.284 -13.787 9.076 1.00 34.31 O ATOM 960 ND2 ASN A 65 28.524 -15.102 9.544 1.00 22.52 N ATOM 0 H ASN A 65 27.285 -11.739 10.488 1.00 44.41 H new ATOM 0 HA ASN A 65 29.104 -11.231 8.232 1.00 31.31 H new ATOM 0 HB2 ASN A 65 27.151 -13.547 8.197 1.00 41.43 H new ATOM 0 HB3 ASN A 65 28.469 -13.218 7.090 1.00 41.43 H new ATOM 0 HD21 ASN A 65 29.089 -15.733 10.112 1.00 22.52 H new ATOM 0 HD22 ASN A 65 27.527 -15.280 9.423 1.00 22.52 H new ATOM 967 N SER A 66 26.765 -9.750 8.523 1.00 12.45 N ATOM 968 CA SER A 66 25.647 -8.934 8.064 1.00 41.51 C ATOM 969 C SER A 66 25.748 -7.515 8.615 1.00 13.43 C ATOM 970 O SER A 66 24.736 -6.852 8.845 1.00 53.05 O ATOM 971 CB SER A 66 24.319 -9.565 8.487 1.00 3.55 C ATOM 972 OG SER A 66 23.369 -9.506 7.438 1.00 11.30 O ATOM 0 H SER A 66 27.339 -9.312 9.244 1.00 12.45 H new ATOM 0 HA SER A 66 25.687 -8.886 6.976 1.00 41.51 H new ATOM 0 HB2 SER A 66 24.482 -10.603 8.776 1.00 3.55 H new ATOM 0 HB3 SER A 66 23.930 -9.047 9.364 1.00 3.55 H new ATOM 0 HG SER A 66 22.530 -9.917 7.733 1.00 11.30 H new ATOM 978 N VAL A 67 26.977 -7.054 8.826 1.00 33.12 N ATOM 979 CA VAL A 67 27.212 -5.714 9.350 1.00 55.33 C ATOM 980 C VAL A 67 28.568 -5.180 8.904 1.00 41.50 C ATOM 981 O VAL A 67 29.609 -5.748 9.234 1.00 42.05 O ATOM 982 CB VAL A 67 27.144 -5.692 10.888 1.00 31.23 C ATOM 983 CG1 VAL A 67 25.702 -5.792 11.361 1.00 14.20 C ATOM 984 CG2 VAL A 67 27.984 -6.817 11.474 1.00 44.12 C ATOM 0 H VAL A 67 27.825 -7.589 8.642 1.00 33.12 H new ATOM 0 HA VAL A 67 26.424 -5.076 8.951 1.00 55.33 H new ATOM 0 HB VAL A 67 27.551 -4.744 11.238 1.00 31.23 H new ATOM 0 HG11 VAL A 67 25.674 -5.775 12.451 1.00 14.20 H new ATOM 0 HG12 VAL A 67 25.132 -4.949 10.970 1.00 14.20 H new ATOM 0 HG13 VAL A 67 25.265 -6.724 11.002 1.00 14.20 H new ATOM 0 HG21 VAL A 67 27.925 -6.787 12.562 1.00 44.12 H new ATOM 0 HG22 VAL A 67 27.608 -7.776 11.117 1.00 44.12 H new ATOM 0 HG23 VAL A 67 29.022 -6.696 11.164 1.00 44.12 H new ATOM 994 N ARG A 68 28.548 -4.083 8.153 1.00 25.21 N ATOM 995 CA ARG A 68 29.777 -3.472 7.661 1.00 3.02 C ATOM 996 C ARG A 68 30.122 -2.221 8.464 1.00 34.03 C ATOM 997 O ARG A 68 29.452 -1.194 8.351 1.00 43.13 O ATOM 998 CB ARG A 68 29.638 -3.118 6.180 1.00 42.45 C ATOM 999 CG ARG A 68 29.828 -4.304 5.249 1.00 22.30 C ATOM 1000 CD ARG A 68 28.666 -4.442 4.278 1.00 63.23 C ATOM 1001 NE ARG A 68 28.481 -5.823 3.838 1.00 1.43 N ATOM 1002 CZ ARG A 68 27.922 -6.764 4.590 1.00 71.41 C ATOM 1003 NH1 ARG A 68 27.495 -6.476 5.811 1.00 11.34 N ATOM 1004 NH2 ARG A 68 27.788 -7.998 4.120 1.00 44.05 N ATOM 0 H ARG A 68 27.695 -3.600 7.872 1.00 25.21 H new ATOM 0 HA ARG A 68 30.585 -4.194 7.781 1.00 3.02 H new ATOM 0 HB2 ARG A 68 28.651 -2.688 6.009 1.00 42.45 H new ATOM 0 HB3 ARG A 68 30.369 -2.349 5.929 1.00 42.45 H new ATOM 0 HG2 ARG A 68 30.757 -4.185 4.692 1.00 22.30 H new ATOM 0 HG3 ARG A 68 29.923 -5.217 5.836 1.00 22.30 H new ATOM 0 HD2 ARG A 68 27.752 -4.088 4.754 1.00 63.23 H new ATOM 0 HD3 ARG A 68 28.841 -3.806 3.411 1.00 63.23 H new ATOM 0 HE ARG A 68 28.798 -6.078 2.903 1.00 1.43 H new ATOM 0 HH11 ARG A 68 27.595 -5.529 6.176 1.00 11.34 H new ATOM 0 HH12 ARG A 68 27.066 -7.201 6.386 1.00 11.34 H new ATOM 0 HH21 ARG A 68 28.115 -8.224 3.181 1.00 44.05 H new ATOM 0 HH22 ARG A 68 27.359 -8.720 4.698 1.00 44.05 H new ATOM 1018 N PHE A 69 31.169 -2.315 9.276 1.00 23.23 N ATOM 1019 CA PHE A 69 31.602 -1.192 10.100 1.00 72.03 C ATOM 1020 C PHE A 69 32.707 -0.402 9.405 1.00 52.13 C ATOM 1021 O PHE A 69 33.811 -0.907 9.198 1.00 41.01 O ATOM 1022 CB PHE A 69 32.094 -1.689 11.461 1.00 74.45 C ATOM 1023 CG PHE A 69 30.987 -1.923 12.449 1.00 61.21 C ATOM 1024 CD1 PHE A 69 29.904 -2.723 12.120 1.00 2.22 C ATOM 1025 CD2 PHE A 69 31.030 -1.344 13.707 1.00 50.12 C ATOM 1026 CE1 PHE A 69 28.884 -2.939 13.028 1.00 44.23 C ATOM 1027 CE2 PHE A 69 30.013 -1.557 14.619 1.00 42.34 C ATOM 1028 CZ PHE A 69 28.940 -2.356 14.279 1.00 75.12 C ATOM 0 H PHE A 69 31.734 -3.158 9.381 1.00 23.23 H new ATOM 0 HA PHE A 69 30.747 -0.533 10.250 1.00 72.03 H new ATOM 0 HB2 PHE A 69 32.648 -2.617 11.321 1.00 74.45 H new ATOM 0 HB3 PHE A 69 32.792 -0.961 11.875 1.00 74.45 H new ATOM 0 HD1 PHE A 69 29.856 -3.183 11.144 1.00 2.22 H new ATOM 0 HD2 PHE A 69 31.868 -0.719 13.978 1.00 50.12 H new ATOM 0 HE1 PHE A 69 28.044 -3.563 12.759 1.00 44.23 H new ATOM 0 HE2 PHE A 69 30.058 -1.099 15.596 1.00 42.34 H new ATOM 0 HZ PHE A 69 28.145 -2.525 14.990 1.00 75.12 H new ATOM 1038 N LEU A 70 32.401 0.840 9.046 1.00 45.12 N ATOM 1039 CA LEU A 70 33.368 1.702 8.373 1.00 33.42 C ATOM 1040 C LEU A 70 33.577 2.997 9.152 1.00 61.45 C ATOM 1041 O LEU A 70 32.676 3.470 9.844 1.00 74.22 O ATOM 1042 CB LEU A 70 32.897 2.018 6.953 1.00 73.55 C ATOM 1043 CG LEU A 70 31.392 2.224 6.775 1.00 41.14 C ATOM 1044 CD1 LEU A 70 31.010 3.663 7.085 1.00 5.20 C ATOM 1045 CD2 LEU A 70 30.966 1.850 5.363 1.00 53.04 C ATOM 0 H LEU A 70 31.492 1.273 9.209 1.00 45.12 H new ATOM 0 HA LEU A 70 34.319 1.171 8.324 1.00 33.42 H new ATOM 0 HB2 LEU A 70 33.409 2.918 6.614 1.00 73.55 H new ATOM 0 HB3 LEU A 70 33.212 1.206 6.298 1.00 73.55 H new ATOM 0 HG LEU A 70 30.870 1.572 7.475 1.00 41.14 H new ATOM 0 HD11 LEU A 70 29.936 3.791 6.953 1.00 5.20 H new ATOM 0 HD12 LEU A 70 31.279 3.897 8.115 1.00 5.20 H new ATOM 0 HD13 LEU A 70 31.541 4.334 6.410 1.00 5.20 H new ATOM 0 HD21 LEU A 70 29.892 2.003 5.254 1.00 53.04 H new ATOM 0 HD22 LEU A 70 31.496 2.476 4.645 1.00 53.04 H new ATOM 0 HD23 LEU A 70 31.204 0.803 5.176 1.00 53.04 H new ATOM 1057 N PHE A 71 34.772 3.566 9.032 1.00 54.34 N ATOM 1058 CA PHE A 71 35.099 4.808 9.723 1.00 64.21 C ATOM 1059 C PHE A 71 35.478 5.901 8.728 1.00 74.02 C ATOM 1060 O PHE A 71 36.560 5.875 8.143 1.00 65.14 O ATOM 1061 CB PHE A 71 36.248 4.580 10.708 1.00 35.13 C ATOM 1062 CG PHE A 71 37.032 5.824 11.013 1.00 14.23 C ATOM 1063 CD1 PHE A 71 36.391 6.973 11.450 1.00 22.30 C ATOM 1064 CD2 PHE A 71 38.409 5.845 10.864 1.00 52.21 C ATOM 1065 CE1 PHE A 71 37.110 8.119 11.731 1.00 43.14 C ATOM 1066 CE2 PHE A 71 39.133 6.989 11.143 1.00 24.33 C ATOM 1067 CZ PHE A 71 38.483 8.127 11.578 1.00 21.23 C ATOM 0 H PHE A 71 35.529 3.187 8.463 1.00 54.34 H new ATOM 0 HA PHE A 71 34.215 5.132 10.273 1.00 64.21 H new ATOM 0 HB2 PHE A 71 35.845 4.177 11.637 1.00 35.13 H new ATOM 0 HB3 PHE A 71 36.922 3.827 10.300 1.00 35.13 H new ATOM 0 HD1 PHE A 71 35.318 6.972 11.572 1.00 22.30 H new ATOM 0 HD2 PHE A 71 38.923 4.957 10.526 1.00 52.21 H new ATOM 0 HE1 PHE A 71 36.599 9.008 12.070 1.00 43.14 H new ATOM 0 HE2 PHE A 71 40.206 6.993 11.021 1.00 24.33 H new ATOM 0 HZ PHE A 71 39.047 9.021 11.798 1.00 21.23 H new ATOM 1077 N ASP A 72 34.577 6.860 8.541 1.00 24.22 N ATOM 1078 CA ASP A 72 34.815 7.963 7.618 1.00 65.15 C ATOM 1079 C ASP A 72 35.076 7.444 6.207 1.00 74.02 C ATOM 1080 O ASP A 72 35.678 8.131 5.383 1.00 21.10 O ATOM 1081 CB ASP A 72 36.001 8.806 8.091 1.00 72.30 C ATOM 1082 CG ASP A 72 36.070 10.151 7.395 1.00 74.33 C ATOM 1083 OD1 ASP A 72 35.131 10.956 7.567 1.00 4.33 O ATOM 1084 OD2 ASP A 72 37.061 10.397 6.677 1.00 43.45 O ATOM 0 H ASP A 72 33.675 6.895 9.017 1.00 24.22 H new ATOM 0 HA ASP A 72 33.921 8.586 7.598 1.00 65.15 H new ATOM 0 HB2 ASP A 72 35.927 8.961 9.167 1.00 72.30 H new ATOM 0 HB3 ASP A 72 36.926 8.259 7.911 1.00 72.30 H new ATOM 1089 N GLY A 73 34.618 6.225 5.936 1.00 54.41 N ATOM 1090 CA GLY A 73 34.812 5.635 4.625 1.00 74.53 C ATOM 1091 C GLY A 73 35.810 4.494 4.645 1.00 50.13 C ATOM 1092 O GLY A 73 36.193 3.975 3.596 1.00 71.24 O ATOM 0 H GLY A 73 34.116 5.636 6.601 1.00 54.41 H new ATOM 0 HA2 GLY A 73 33.856 5.271 4.249 1.00 74.53 H new ATOM 0 HA3 GLY A 73 35.156 6.403 3.932 1.00 74.53 H new ATOM 1096 N THR A 74 36.235 4.103 5.842 1.00 64.31 N ATOM 1097 CA THR A 74 37.198 3.019 5.994 1.00 34.24 C ATOM 1098 C THR A 74 36.535 1.773 6.571 1.00 61.44 C ATOM 1099 O THR A 74 36.517 1.554 7.782 1.00 31.31 O ATOM 1100 CB THR A 74 38.369 3.431 6.906 1.00 40.45 C ATOM 1101 OG1 THR A 74 37.895 3.672 8.235 1.00 75.00 O ATOM 1102 CG2 THR A 74 39.055 4.680 6.373 1.00 40.33 C ATOM 0 H THR A 74 35.928 4.521 6.720 1.00 64.31 H new ATOM 0 HA THR A 74 37.583 2.796 4.999 1.00 34.24 H new ATOM 0 HB THR A 74 39.092 2.616 6.922 1.00 40.45 H new ATOM 0 HG1 THR A 74 37.533 4.581 8.293 1.00 75.00 H new ATOM 0 HG21 THR A 74 39.879 4.952 7.033 1.00 40.33 H new ATOM 0 HG22 THR A 74 39.441 4.484 5.373 1.00 40.33 H new ATOM 0 HG23 THR A 74 38.337 5.499 6.331 1.00 40.33 H new ATOM 1110 N PRO A 75 35.978 0.934 5.684 1.00 14.33 N ATOM 1111 CA PRO A 75 35.305 -0.306 6.082 1.00 14.44 C ATOM 1112 C PRO A 75 36.281 -1.353 6.606 1.00 3.14 C ATOM 1113 O PRO A 75 36.967 -2.019 5.830 1.00 32.01 O ATOM 1114 CB PRO A 75 34.650 -0.786 4.785 1.00 63.42 C ATOM 1115 CG PRO A 75 35.479 -0.192 3.699 1.00 4.55 C ATOM 1116 CD PRO A 75 35.962 1.132 4.225 1.00 11.12 C ATOM 0 HA PRO A 75 34.599 -0.143 6.897 1.00 14.44 H new ATOM 0 HB2 PRO A 75 34.641 -1.874 4.726 1.00 63.42 H new ATOM 0 HB3 PRO A 75 33.614 -0.454 4.718 1.00 63.42 H new ATOM 0 HG2 PRO A 75 36.317 -0.842 3.448 1.00 4.55 H new ATOM 0 HG3 PRO A 75 34.894 -0.061 2.789 1.00 4.55 H new ATOM 0 HD2 PRO A 75 36.952 1.379 3.842 1.00 11.12 H new ATOM 0 HD3 PRO A 75 35.296 1.946 3.937 1.00 11.12 H new ATOM 1124 N ILE A 76 36.339 -1.493 7.926 1.00 22.24 N ATOM 1125 CA ILE A 76 37.231 -2.461 8.553 1.00 61.02 C ATOM 1126 C ILE A 76 36.604 -3.053 9.810 1.00 31.23 C ATOM 1127 O ILE A 76 35.817 -2.396 10.492 1.00 22.24 O ATOM 1128 CB ILE A 76 38.585 -1.824 8.919 1.00 72.30 C ATOM 1129 CG1 ILE A 76 39.140 -1.036 7.731 1.00 2.21 C ATOM 1130 CG2 ILE A 76 39.572 -2.895 9.359 1.00 10.01 C ATOM 1131 CD1 ILE A 76 40.447 -0.335 8.029 1.00 11.42 C ATOM 0 H ILE A 76 35.779 -0.949 8.582 1.00 22.24 H new ATOM 0 HA ILE A 76 37.397 -3.255 7.825 1.00 61.02 H new ATOM 0 HB ILE A 76 38.433 -1.134 9.749 1.00 72.30 H new ATOM 0 HG12 ILE A 76 39.284 -1.715 6.891 1.00 2.21 H new ATOM 0 HG13 ILE A 76 38.403 -0.296 7.420 1.00 2.21 H new ATOM 0 HG21 ILE A 76 40.524 -2.430 9.614 1.00 10.01 H new ATOM 0 HG22 ILE A 76 39.178 -3.417 10.231 1.00 10.01 H new ATOM 0 HG23 ILE A 76 39.722 -3.607 8.547 1.00 10.01 H new ATOM 0 HD11 ILE A 76 40.781 0.204 7.142 1.00 11.42 H new ATOM 0 HD12 ILE A 76 40.304 0.369 8.849 1.00 11.42 H new ATOM 0 HD13 ILE A 76 41.199 -1.072 8.311 1.00 11.42 H new ATOM 1143 N ASP A 77 36.959 -4.297 10.112 1.00 74.30 N ATOM 1144 CA ASP A 77 36.433 -4.978 11.290 1.00 51.03 C ATOM 1145 C ASP A 77 37.564 -5.404 12.221 1.00 75.21 C ATOM 1146 O ASP A 77 38.103 -6.503 12.095 1.00 75.11 O ATOM 1147 CB ASP A 77 35.610 -6.198 10.875 1.00 72.53 C ATOM 1148 CG ASP A 77 35.275 -7.097 12.049 1.00 62.54 C ATOM 1149 OD1 ASP A 77 35.218 -6.589 13.188 1.00 30.32 O ATOM 1150 OD2 ASP A 77 35.070 -8.309 11.828 1.00 74.12 O ATOM 0 H ASP A 77 37.609 -4.855 9.558 1.00 74.30 H new ATOM 0 HA ASP A 77 35.789 -4.281 11.826 1.00 51.03 H new ATOM 0 HB2 ASP A 77 34.687 -5.865 10.401 1.00 72.53 H new ATOM 0 HB3 ASP A 77 36.163 -6.769 10.130 1.00 72.53 H new ATOM 1155 N GLU A 78 37.918 -4.526 13.154 1.00 35.12 N ATOM 1156 CA GLU A 78 38.986 -4.812 14.105 1.00 54.21 C ATOM 1157 C GLU A 78 39.161 -3.659 15.089 1.00 15.03 C ATOM 1158 O GLU A 78 38.616 -2.572 14.894 1.00 12.21 O ATOM 1159 CB GLU A 78 40.300 -5.070 13.366 1.00 25.23 C ATOM 1160 CG GLU A 78 40.706 -6.534 13.340 1.00 61.24 C ATOM 1161 CD GLU A 78 40.854 -7.073 11.930 1.00 72.10 C ATOM 1162 OE1 GLU A 78 41.294 -6.310 11.045 1.00 3.25 O ATOM 1163 OE2 GLU A 78 40.529 -8.259 11.712 1.00 74.21 O ATOM 0 H GLU A 78 37.481 -3.612 13.272 1.00 35.12 H new ATOM 0 HA GLU A 78 38.710 -5.706 14.665 1.00 54.21 H new ATOM 0 HB2 GLU A 78 40.208 -4.709 12.342 1.00 25.23 H new ATOM 0 HB3 GLU A 78 41.093 -4.490 13.838 1.00 25.23 H new ATOM 0 HG2 GLU A 78 41.649 -6.655 13.872 1.00 61.24 H new ATOM 0 HG3 GLU A 78 39.961 -7.123 13.874 1.00 61.24 H new ATOM 1170 N THR A 79 39.925 -3.904 16.149 1.00 35.34 N ATOM 1171 CA THR A 79 40.171 -2.889 17.166 1.00 74.04 C ATOM 1172 C THR A 79 41.664 -2.637 17.341 1.00 32.30 C ATOM 1173 O THR A 79 42.101 -2.126 18.372 1.00 10.11 O ATOM 1174 CB THR A 79 39.567 -3.295 18.523 1.00 20.33 C ATOM 1175 OG1 THR A 79 39.604 -2.186 19.428 1.00 50.45 O ATOM 1176 CG2 THR A 79 40.325 -4.470 19.123 1.00 62.02 C ATOM 0 H THR A 79 40.384 -4.797 16.326 1.00 35.34 H new ATOM 0 HA THR A 79 39.689 -1.974 16.822 1.00 74.04 H new ATOM 0 HB THR A 79 38.532 -3.595 18.359 1.00 20.33 H new ATOM 0 HG1 THR A 79 40.487 -1.763 19.391 1.00 50.45 H new ATOM 0 HG21 THR A 79 39.880 -4.739 20.081 1.00 62.02 H new ATOM 0 HG22 THR A 79 40.270 -5.322 18.446 1.00 62.02 H new ATOM 0 HG23 THR A 79 41.368 -4.192 19.273 1.00 62.02 H new ATOM 1184 N LYS A 80 42.443 -2.999 16.327 1.00 1.14 N ATOM 1185 CA LYS A 80 43.888 -2.811 16.368 1.00 44.41 C ATOM 1186 C LYS A 80 44.392 -2.187 15.070 1.00 3.23 C ATOM 1187 O LYS A 80 44.984 -1.107 15.077 1.00 42.21 O ATOM 1188 CB LYS A 80 44.591 -4.148 16.610 1.00 61.44 C ATOM 1189 CG LYS A 80 44.225 -4.797 17.933 1.00 23.23 C ATOM 1190 CD LYS A 80 44.622 -3.923 19.111 1.00 13.12 C ATOM 1191 CE LYS A 80 46.128 -3.723 19.174 1.00 2.44 C ATOM 1192 NZ LYS A 80 46.510 -2.304 18.932 1.00 53.33 N ATOM 0 H LYS A 80 42.097 -3.424 15.467 1.00 1.14 H new ATOM 0 HA LYS A 80 44.118 -2.133 17.190 1.00 44.41 H new ATOM 0 HB2 LYS A 80 44.342 -4.832 15.798 1.00 61.44 H new ATOM 0 HB3 LYS A 80 45.669 -3.993 16.577 1.00 61.44 H new ATOM 0 HG2 LYS A 80 43.152 -4.984 17.963 1.00 23.23 H new ATOM 0 HG3 LYS A 80 44.720 -5.765 18.014 1.00 23.23 H new ATOM 0 HD2 LYS A 80 44.128 -2.955 19.029 1.00 13.12 H new ATOM 0 HD3 LYS A 80 44.276 -4.380 20.038 1.00 13.12 H new ATOM 0 HE2 LYS A 80 46.495 -4.036 20.151 1.00 2.44 H new ATOM 0 HE3 LYS A 80 46.610 -4.360 18.433 1.00 2.44 H new ATOM 0 HZ1 LYS A 80 47.544 -2.209 18.983 1.00 53.33 H new ATOM 0 HZ2 LYS A 80 46.182 -2.012 17.989 1.00 53.33 H new ATOM 0 HZ3 LYS A 80 46.071 -1.698 19.654 1.00 53.33 H new ATOM 1206 N THR A 81 44.153 -2.873 13.957 1.00 52.21 N ATOM 1207 CA THR A 81 44.582 -2.386 12.652 1.00 11.10 C ATOM 1208 C THR A 81 43.896 -1.070 12.303 1.00 34.21 C ATOM 1209 O THR A 81 44.538 -0.034 12.129 1.00 32.31 O ATOM 1210 CB THR A 81 44.288 -3.415 11.544 1.00 11.20 C ATOM 1211 OG1 THR A 81 43.572 -4.529 12.088 1.00 62.41 O ATOM 1212 CG2 THR A 81 45.578 -3.900 10.900 1.00 52.54 C ATOM 0 H THR A 81 43.664 -3.768 13.933 1.00 52.21 H new ATOM 0 HA THR A 81 45.658 -2.226 12.713 1.00 11.10 H new ATOM 0 HB THR A 81 43.679 -2.930 10.780 1.00 11.20 H new ATOM 0 HG1 THR A 81 42.935 -4.864 11.423 1.00 62.41 H new ATOM 0 HG21 THR A 81 45.345 -4.626 10.121 1.00 52.54 H new ATOM 0 HG22 THR A 81 46.106 -3.053 10.461 1.00 52.54 H new ATOM 0 HG23 THR A 81 46.208 -4.369 11.656 1.00 52.54 H new ATOM 1220 N PRO A 82 42.559 -1.109 12.199 1.00 50.35 N ATOM 1221 CA PRO A 82 41.756 0.073 11.871 1.00 43.33 C ATOM 1222 C PRO A 82 41.736 1.093 13.004 1.00 21.03 C ATOM 1223 O PRO A 82 41.433 2.266 12.790 1.00 42.11 O ATOM 1224 CB PRO A 82 40.356 -0.501 11.643 1.00 33.02 C ATOM 1225 CG PRO A 82 40.329 -1.760 12.439 1.00 71.44 C ATOM 1226 CD PRO A 82 41.728 -2.309 12.393 1.00 43.12 C ATOM 0 HA PRO A 82 42.156 0.611 11.012 1.00 43.33 H new ATOM 0 HB2 PRO A 82 39.584 0.194 11.975 1.00 33.02 H new ATOM 0 HB3 PRO A 82 40.176 -0.697 10.586 1.00 33.02 H new ATOM 0 HG2 PRO A 82 40.020 -1.566 13.466 1.00 71.44 H new ATOM 0 HG3 PRO A 82 39.617 -2.471 12.021 1.00 71.44 H new ATOM 0 HD2 PRO A 82 41.985 -2.831 13.315 1.00 43.12 H new ATOM 0 HD3 PRO A 82 41.854 -3.021 11.577 1.00 43.12 H new ATOM 1234 N GLU A 83 42.061 0.637 14.210 1.00 2.21 N ATOM 1235 CA GLU A 83 42.080 1.511 15.377 1.00 55.40 C ATOM 1236 C GLU A 83 43.302 2.424 15.354 1.00 41.43 C ATOM 1237 O GLU A 83 43.184 3.640 15.499 1.00 14.42 O ATOM 1238 CB GLU A 83 42.073 0.682 16.663 1.00 11.51 C ATOM 1239 CG GLU A 83 41.395 1.378 17.832 1.00 63.21 C ATOM 1240 CD GLU A 83 42.352 1.668 18.972 1.00 40.51 C ATOM 1241 OE1 GLU A 83 43.176 0.787 19.294 1.00 71.34 O ATOM 1242 OE2 GLU A 83 42.277 2.777 19.542 1.00 31.33 O ATOM 0 H GLU A 83 42.314 -0.332 14.404 1.00 2.21 H new ATOM 0 HA GLU A 83 41.184 2.132 15.348 1.00 55.40 H new ATOM 0 HB2 GLU A 83 41.568 -0.265 16.472 1.00 11.51 H new ATOM 0 HB3 GLU A 83 43.101 0.445 16.938 1.00 11.51 H new ATOM 0 HG2 GLU A 83 40.953 2.313 17.487 1.00 63.21 H new ATOM 0 HG3 GLU A 83 40.579 0.755 18.197 1.00 63.21 H new ATOM 1249 N GLU A 84 44.476 1.827 15.170 1.00 13.51 N ATOM 1250 CA GLU A 84 45.720 2.587 15.129 1.00 30.33 C ATOM 1251 C GLU A 84 45.872 3.310 13.794 1.00 4.03 C ATOM 1252 O GLU A 84 46.451 4.395 13.726 1.00 43.14 O ATOM 1253 CB GLU A 84 46.916 1.661 15.360 1.00 61.23 C ATOM 1254 CG GLU A 84 47.266 0.807 14.153 1.00 44.14 C ATOM 1255 CD GLU A 84 48.248 -0.300 14.486 1.00 50.32 C ATOM 1256 OE1 GLU A 84 49.379 0.019 14.910 1.00 73.11 O ATOM 1257 OE2 GLU A 84 47.886 -1.483 14.322 1.00 21.55 O ATOM 0 H GLU A 84 44.591 0.821 15.047 1.00 13.51 H new ATOM 0 HA GLU A 84 45.688 3.332 15.924 1.00 30.33 H new ATOM 0 HB2 GLU A 84 47.783 2.262 15.633 1.00 61.23 H new ATOM 0 HB3 GLU A 84 46.702 1.009 16.206 1.00 61.23 H new ATOM 0 HG2 GLU A 84 46.355 0.369 13.746 1.00 44.14 H new ATOM 0 HG3 GLU A 84 47.690 1.441 13.374 1.00 44.14 H new ATOM 1264 N LEU A 85 45.350 2.701 12.735 1.00 11.35 N ATOM 1265 CA LEU A 85 45.428 3.286 11.401 1.00 35.21 C ATOM 1266 C LEU A 85 44.427 4.427 11.248 1.00 43.14 C ATOM 1267 O LEU A 85 44.690 5.407 10.551 1.00 73.41 O ATOM 1268 CB LEU A 85 45.166 2.217 10.339 1.00 61.14 C ATOM 1269 CG LEU A 85 45.225 2.687 8.885 1.00 41.12 C ATOM 1270 CD1 LEU A 85 46.370 2.007 8.150 1.00 52.10 C ATOM 1271 CD2 LEU A 85 43.902 2.416 8.183 1.00 45.34 C ATOM 0 H LEU A 85 44.868 1.803 12.774 1.00 11.35 H new ATOM 0 HA LEU A 85 46.432 3.687 11.264 1.00 35.21 H new ATOM 0 HB2 LEU A 85 45.894 1.416 10.471 1.00 61.14 H new ATOM 0 HB3 LEU A 85 44.181 1.786 10.521 1.00 61.14 H new ATOM 0 HG LEU A 85 45.404 3.762 8.878 1.00 41.12 H new ATOM 0 HD11 LEU A 85 46.396 2.354 7.117 1.00 52.10 H new ATOM 0 HD12 LEU A 85 47.313 2.252 8.639 1.00 52.10 H new ATOM 0 HD13 LEU A 85 46.223 0.927 8.167 1.00 52.10 H new ATOM 0 HD21 LEU A 85 43.962 2.757 7.149 1.00 45.34 H new ATOM 0 HD22 LEU A 85 43.693 1.346 8.201 1.00 45.34 H new ATOM 0 HD23 LEU A 85 43.102 2.951 8.695 1.00 45.34 H new ATOM 1283 N GLY A 86 43.279 4.294 11.905 1.00 5.14 N ATOM 1284 CA GLY A 86 42.258 5.322 11.831 1.00 41.24 C ATOM 1285 C GLY A 86 42.470 6.425 12.849 1.00 50.14 C ATOM 1286 O GLY A 86 42.924 7.516 12.506 1.00 44.22 O ATOM 0 H GLY A 86 43.038 3.492 12.487 1.00 5.14 H new ATOM 0 HA2 GLY A 86 42.252 5.752 10.830 1.00 41.24 H new ATOM 0 HA3 GLY A 86 41.279 4.869 11.989 1.00 41.24 H new ATOM 1290 N MET A 87 42.138 6.141 14.104 1.00 45.31 N ATOM 1291 CA MET A 87 42.295 7.119 15.175 1.00 71.41 C ATOM 1292 C MET A 87 41.889 6.522 16.519 1.00 50.11 C ATOM 1293 O MET A 87 41.585 5.333 16.613 1.00 5.45 O ATOM 1294 CB MET A 87 41.457 8.365 14.883 1.00 3.12 C ATOM 1295 CG MET A 87 39.988 8.066 14.635 1.00 32.53 C ATOM 1296 SD MET A 87 38.968 9.553 14.622 1.00 64.31 S ATOM 1297 CE MET A 87 39.971 10.641 13.613 1.00 53.23 C ATOM 0 H MET A 87 41.759 5.243 14.404 1.00 45.31 H new ATOM 0 HA MET A 87 43.347 7.401 15.225 1.00 71.41 H new ATOM 0 HB2 MET A 87 41.542 9.055 15.723 1.00 3.12 H new ATOM 0 HB3 MET A 87 41.868 8.873 14.011 1.00 3.12 H new ATOM 0 HG2 MET A 87 39.883 7.550 13.681 1.00 32.53 H new ATOM 0 HG3 MET A 87 39.624 7.387 15.407 1.00 32.53 H new ATOM 0 HE1 MET A 87 39.338 11.404 13.160 1.00 53.23 H new ATOM 0 HE2 MET A 87 40.727 11.120 14.235 1.00 53.23 H new ATOM 0 HE3 MET A 87 40.460 10.062 12.829 1.00 53.23 H new ATOM 1307 N GLU A 88 41.886 7.355 17.555 1.00 45.32 N ATOM 1308 CA GLU A 88 41.519 6.908 18.893 1.00 12.00 C ATOM 1309 C GLU A 88 40.768 8.003 19.645 1.00 35.23 C ATOM 1310 O GLU A 88 40.404 9.029 19.070 1.00 22.20 O ATOM 1311 CB GLU A 88 42.766 6.498 19.679 1.00 42.14 C ATOM 1312 CG GLU A 88 43.726 7.647 19.940 1.00 72.22 C ATOM 1313 CD GLU A 88 45.111 7.389 19.379 1.00 52.02 C ATOM 1314 OE1 GLU A 88 45.207 6.764 18.302 1.00 60.41 O ATOM 1315 OE2 GLU A 88 46.098 7.812 20.016 1.00 71.11 O ATOM 0 H GLU A 88 42.134 8.343 17.493 1.00 45.32 H new ATOM 0 HA GLU A 88 40.862 6.044 18.792 1.00 12.00 H new ATOM 0 HB2 GLU A 88 42.459 6.068 20.633 1.00 42.14 H new ATOM 0 HB3 GLU A 88 43.290 5.715 19.130 1.00 42.14 H new ATOM 0 HG2 GLU A 88 43.324 8.559 19.499 1.00 72.22 H new ATOM 0 HG3 GLU A 88 43.799 7.818 21.014 1.00 72.22 H new ATOM 1322 N ASP A 89 40.538 7.776 20.934 1.00 40.01 N ATOM 1323 CA ASP A 89 39.831 8.742 21.766 1.00 13.32 C ATOM 1324 C ASP A 89 38.347 8.782 21.412 1.00 24.40 C ATOM 1325 O ASP A 89 37.502 8.336 22.188 1.00 13.31 O ATOM 1326 CB ASP A 89 40.444 10.134 21.603 1.00 72.15 C ATOM 1327 CG ASP A 89 40.142 11.041 22.779 1.00 42.41 C ATOM 1328 OD1 ASP A 89 40.142 10.546 23.925 1.00 55.00 O ATOM 1329 OD2 ASP A 89 39.906 12.247 22.553 1.00 11.03 O ATOM 0 H ASP A 89 40.831 6.931 21.425 1.00 40.01 H new ATOM 0 HA ASP A 89 39.930 8.429 22.805 1.00 13.32 H new ATOM 0 HB2 ASP A 89 41.524 10.041 21.488 1.00 72.15 H new ATOM 0 HB3 ASP A 89 40.064 10.590 20.689 1.00 72.15 H new ATOM 1334 N ASP A 90 38.039 9.318 20.236 1.00 22.05 N ATOM 1335 CA ASP A 90 36.658 9.416 19.779 1.00 31.32 C ATOM 1336 C ASP A 90 36.437 8.566 18.532 1.00 60.23 C ATOM 1337 O ASP A 90 35.801 9.006 17.573 1.00 24.44 O ATOM 1338 CB ASP A 90 36.296 10.873 19.489 1.00 2.20 C ATOM 1339 CG ASP A 90 36.088 11.681 20.755 1.00 41.11 C ATOM 1340 OD1 ASP A 90 35.740 11.079 21.793 1.00 51.54 O ATOM 1341 OD2 ASP A 90 36.274 12.915 20.708 1.00 23.21 O ATOM 0 H ASP A 90 38.727 9.691 19.582 1.00 22.05 H new ATOM 0 HA ASP A 90 36.011 9.041 20.572 1.00 31.32 H new ATOM 0 HB2 ASP A 90 37.088 11.330 18.896 1.00 2.20 H new ATOM 0 HB3 ASP A 90 35.388 10.906 18.887 1.00 2.20 H new ATOM 1346 N ASP A 91 36.967 7.348 18.551 1.00 73.33 N ATOM 1347 CA ASP A 91 36.828 6.436 17.421 1.00 34.23 C ATOM 1348 C ASP A 91 35.357 6.175 17.111 1.00 11.03 C ATOM 1349 O ASP A 91 34.600 5.725 17.972 1.00 5.00 O ATOM 1350 CB ASP A 91 37.542 5.115 17.714 1.00 50.45 C ATOM 1351 CG ASP A 91 37.037 3.980 16.845 1.00 24.43 C ATOM 1352 OD1 ASP A 91 36.824 4.207 15.636 1.00 5.12 O ATOM 1353 OD2 ASP A 91 36.854 2.863 17.375 1.00 5.42 O ATOM 0 H ASP A 91 37.497 6.969 19.336 1.00 73.33 H new ATOM 0 HA ASP A 91 37.287 6.903 16.550 1.00 34.23 H new ATOM 0 HB2 ASP A 91 38.613 5.241 17.556 1.00 50.45 H new ATOM 0 HB3 ASP A 91 37.403 4.855 18.763 1.00 50.45 H new ATOM 1358 N VAL A 92 34.958 6.462 15.876 1.00 33.22 N ATOM 1359 CA VAL A 92 33.578 6.258 15.452 1.00 13.52 C ATOM 1360 C VAL A 92 33.463 5.068 14.507 1.00 31.43 C ATOM 1361 O VAL A 92 34.412 4.730 13.799 1.00 3.53 O ATOM 1362 CB VAL A 92 33.015 7.510 14.753 1.00 10.43 C ATOM 1363 CG1 VAL A 92 33.345 8.762 15.552 1.00 33.14 C ATOM 1364 CG2 VAL A 92 33.554 7.616 13.335 1.00 45.01 C ATOM 0 H VAL A 92 35.571 6.836 15.152 1.00 33.22 H new ATOM 0 HA VAL A 92 32.997 6.060 16.353 1.00 13.52 H new ATOM 0 HB VAL A 92 31.930 7.418 14.699 1.00 10.43 H new ATOM 0 HG11 VAL A 92 32.939 9.636 15.043 1.00 33.14 H new ATOM 0 HG12 VAL A 92 32.906 8.685 16.547 1.00 33.14 H new ATOM 0 HG13 VAL A 92 34.427 8.863 15.640 1.00 33.14 H new ATOM 0 HG21 VAL A 92 33.146 8.506 12.856 1.00 45.01 H new ATOM 0 HG22 VAL A 92 34.641 7.685 13.363 1.00 45.01 H new ATOM 0 HG23 VAL A 92 33.262 6.732 12.768 1.00 45.01 H new ATOM 1374 N ILE A 93 32.295 4.435 14.501 1.00 34.33 N ATOM 1375 CA ILE A 93 32.055 3.282 13.642 1.00 62.01 C ATOM 1376 C ILE A 93 30.623 3.275 13.118 1.00 43.14 C ATOM 1377 O ILE A 93 29.676 3.051 13.872 1.00 43.42 O ATOM 1378 CB ILE A 93 32.324 1.960 14.385 1.00 2.11 C ATOM 1379 CG1 ILE A 93 32.257 2.178 15.898 1.00 21.41 C ATOM 1380 CG2 ILE A 93 33.679 1.394 13.985 1.00 34.04 C ATOM 1381 CD1 ILE A 93 32.072 0.899 16.685 1.00 63.13 C ATOM 0 H ILE A 93 31.500 4.701 15.082 1.00 34.33 H new ATOM 0 HA ILE A 93 32.746 3.365 12.803 1.00 62.01 H new ATOM 0 HB ILE A 93 31.555 1.240 14.106 1.00 2.11 H new ATOM 0 HG12 ILE A 93 33.173 2.668 16.227 1.00 21.41 H new ATOM 0 HG13 ILE A 93 31.434 2.856 16.123 1.00 21.41 H new ATOM 0 HG21 ILE A 93 33.855 0.460 14.518 1.00 34.04 H new ATOM 0 HG22 ILE A 93 33.693 1.207 12.911 1.00 34.04 H new ATOM 0 HG23 ILE A 93 34.461 2.109 14.239 1.00 34.04 H new ATOM 0 HD11 ILE A 93 32.033 1.129 17.750 1.00 63.13 H new ATOM 0 HD12 ILE A 93 31.142 0.418 16.384 1.00 63.13 H new ATOM 0 HD13 ILE A 93 32.908 0.227 16.489 1.00 63.13 H new ATOM 1393 N ASP A 94 30.473 3.520 11.821 1.00 60.44 N ATOM 1394 CA ASP A 94 29.156 3.539 11.194 1.00 65.24 C ATOM 1395 C ASP A 94 28.809 2.170 10.617 1.00 21.22 C ATOM 1396 O ASP A 94 29.415 1.723 9.644 1.00 41.54 O ATOM 1397 CB ASP A 94 29.109 4.597 10.091 1.00 54.42 C ATOM 1398 CG ASP A 94 29.728 5.912 10.523 1.00 40.02 C ATOM 1399 OD1 ASP A 94 29.771 6.175 11.743 1.00 75.23 O ATOM 1400 OD2 ASP A 94 30.170 6.679 9.641 1.00 75.51 O ATOM 0 H ASP A 94 31.247 3.708 11.183 1.00 60.44 H new ATOM 0 HA ASP A 94 28.420 3.788 11.958 1.00 65.24 H new ATOM 0 HB2 ASP A 94 29.633 4.224 9.211 1.00 54.42 H new ATOM 0 HB3 ASP A 94 28.073 4.766 9.797 1.00 54.42 H new ATOM 1405 N ALA A 95 27.830 1.508 11.226 1.00 44.10 N ATOM 1406 CA ALA A 95 27.402 0.191 10.773 1.00 70.32 C ATOM 1407 C ALA A 95 26.342 0.303 9.683 1.00 55.13 C ATOM 1408 O ALA A 95 25.282 0.892 9.894 1.00 75.45 O ATOM 1409 CB ALA A 95 26.873 -0.624 11.944 1.00 64.21 C ATOM 0 H ALA A 95 27.319 1.863 12.034 1.00 44.10 H new ATOM 0 HA ALA A 95 28.268 -0.319 10.351 1.00 70.32 H new ATOM 0 HB1 ALA A 95 26.557 -1.606 11.591 1.00 64.21 H new ATOM 0 HB2 ALA A 95 27.659 -0.743 12.689 1.00 64.21 H new ATOM 0 HB3 ALA A 95 26.023 -0.109 12.392 1.00 64.21 H new ATOM 1415 N MET A 96 26.635 -0.264 8.517 1.00 21.23 N ATOM 1416 CA MET A 96 25.706 -0.227 7.394 1.00 35.53 C ATOM 1417 C MET A 96 25.442 -1.632 6.860 1.00 2.13 C ATOM 1418 O MET A 96 26.274 -2.528 7.005 1.00 50.21 O ATOM 1419 CB MET A 96 26.257 0.660 6.277 1.00 11.51 C ATOM 1420 CG MET A 96 25.312 1.779 5.867 1.00 21.43 C ATOM 1421 SD MET A 96 26.167 3.156 5.078 1.00 1.24 S ATOM 1422 CE MET A 96 25.911 4.451 6.289 1.00 41.42 C ATOM 0 H MET A 96 27.509 -0.754 8.326 1.00 21.23 H new ATOM 0 HA MET A 96 24.764 0.191 7.748 1.00 35.53 H new ATOM 0 HB2 MET A 96 27.202 1.095 6.602 1.00 11.51 H new ATOM 0 HB3 MET A 96 26.474 0.041 5.406 1.00 11.51 H new ATOM 0 HG2 MET A 96 24.561 1.383 5.183 1.00 21.43 H new ATOM 0 HG3 MET A 96 24.782 2.142 6.747 1.00 21.43 H new ATOM 0 HE1 MET A 96 26.383 5.371 5.944 1.00 41.42 H new ATOM 0 HE2 MET A 96 24.842 4.620 6.421 1.00 41.42 H new ATOM 0 HE3 MET A 96 26.351 4.152 7.240 1.00 41.42 H new ATOM 1432 N VAL A 97 24.280 -1.817 6.243 1.00 74.21 N ATOM 1433 CA VAL A 97 23.907 -3.113 5.687 1.00 43.53 C ATOM 1434 C VAL A 97 24.028 -3.113 4.167 1.00 22.30 C ATOM 1435 O VAL A 97 23.586 -2.179 3.499 1.00 2.04 O ATOM 1436 CB VAL A 97 22.468 -3.498 6.076 1.00 11.14 C ATOM 1437 CG1 VAL A 97 22.317 -3.541 7.589 1.00 5.25 C ATOM 1438 CG2 VAL A 97 21.472 -2.527 5.461 1.00 73.03 C ATOM 0 H VAL A 97 23.580 -1.086 6.115 1.00 74.21 H new ATOM 0 HA VAL A 97 24.596 -3.847 6.104 1.00 43.53 H new ATOM 0 HB VAL A 97 22.259 -4.494 5.685 1.00 11.14 H new ATOM 0 HG11 VAL A 97 21.293 -3.815 7.845 1.00 5.25 H new ATOM 0 HG12 VAL A 97 23.004 -4.279 8.002 1.00 5.25 H new ATOM 0 HG13 VAL A 97 22.545 -2.560 8.005 1.00 5.25 H new ATOM 0 HG21 VAL A 97 20.460 -2.814 5.746 1.00 73.03 H new ATOM 0 HG22 VAL A 97 21.678 -1.519 5.820 1.00 73.03 H new ATOM 0 HG23 VAL A 97 21.563 -2.551 4.375 1.00 73.03 H new ATOM 1448 N GLU A 98 24.630 -4.169 3.627 1.00 13.22 N ATOM 1449 CA GLU A 98 24.809 -4.290 2.185 1.00 33.51 C ATOM 1450 C GLU A 98 23.956 -5.425 1.625 1.00 60.22 C ATOM 1451 O GLU A 98 24.283 -6.008 0.592 1.00 60.24 O ATOM 1452 CB GLU A 98 26.282 -4.532 1.850 1.00 1.24 C ATOM 1453 CG GLU A 98 26.622 -4.287 0.390 1.00 65.21 C ATOM 1454 CD GLU A 98 27.249 -5.498 -0.274 1.00 32.21 C ATOM 1455 OE1 GLU A 98 26.838 -6.632 0.050 1.00 1.02 O ATOM 1456 OE2 GLU A 98 28.150 -5.311 -1.118 1.00 60.31 O ATOM 0 H GLU A 98 25.001 -4.951 4.166 1.00 13.22 H new ATOM 0 HA GLU A 98 24.488 -3.355 1.725 1.00 33.51 H new ATOM 0 HB2 GLU A 98 26.899 -3.883 2.472 1.00 1.24 H new ATOM 0 HB3 GLU A 98 26.540 -5.559 2.107 1.00 1.24 H new ATOM 0 HG2 GLU A 98 25.716 -4.010 -0.149 1.00 65.21 H new ATOM 0 HG3 GLU A 98 27.307 -3.442 0.317 1.00 65.21 H new ATOM 1463 N GLN A 99 22.863 -5.732 2.315 1.00 35.21 N ATOM 1464 CA GLN A 99 21.964 -6.798 1.887 1.00 13.33 C ATOM 1465 C GLN A 99 20.655 -6.753 2.670 1.00 64.22 C ATOM 1466 O GLN A 99 20.497 -5.951 3.590 1.00 14.25 O ATOM 1467 CB GLN A 99 22.633 -8.161 2.067 1.00 21.31 C ATOM 1468 CG GLN A 99 22.466 -9.084 0.871 1.00 55.14 C ATOM 1469 CD GLN A 99 23.191 -10.403 1.045 1.00 63.32 C ATOM 1470 OE1 GLN A 99 23.686 -10.715 2.129 1.00 52.33 O ATOM 1471 NE2 GLN A 99 23.259 -11.188 -0.024 1.00 50.25 N ATOM 0 H GLN A 99 22.578 -5.258 3.172 1.00 35.21 H new ATOM 0 HA GLN A 99 21.740 -6.648 0.831 1.00 13.33 H new ATOM 0 HB2 GLN A 99 23.696 -8.012 2.255 1.00 21.31 H new ATOM 0 HB3 GLN A 99 22.218 -8.646 2.950 1.00 21.31 H new ATOM 0 HG2 GLN A 99 21.405 -9.276 0.710 1.00 55.14 H new ATOM 0 HG3 GLN A 99 22.839 -8.584 -0.023 1.00 55.14 H new ATOM 0 HE21 GLN A 99 22.835 -10.891 -0.903 1.00 50.25 H new ATOM 0 HE22 GLN A 99 23.735 -12.088 0.034 1.00 50.25 H new ATOM 1480 N THR A 100 19.719 -7.620 2.298 1.00 70.45 N ATOM 1481 CA THR A 100 18.424 -7.679 2.963 1.00 33.20 C ATOM 1482 C THR A 100 18.483 -8.563 4.204 1.00 52.50 C ATOM 1483 O THR A 100 18.337 -9.781 4.118 1.00 15.01 O ATOM 1484 CB THR A 100 17.330 -8.213 2.018 1.00 25.13 C ATOM 1485 OG1 THR A 100 17.717 -9.488 1.493 1.00 33.01 O ATOM 1486 CG2 THR A 100 17.082 -7.242 0.874 1.00 3.32 C ATOM 0 H THR A 100 19.834 -8.292 1.539 1.00 70.45 H new ATOM 0 HA THR A 100 18.174 -6.660 3.257 1.00 33.20 H new ATOM 0 HB THR A 100 16.408 -8.320 2.589 1.00 25.13 H new ATOM 0 HG1 THR A 100 18.087 -10.040 2.213 1.00 33.01 H new ATOM 0 HG21 THR A 100 16.306 -7.640 0.220 1.00 3.32 H new ATOM 0 HG22 THR A 100 16.760 -6.281 1.276 1.00 3.32 H new ATOM 0 HG23 THR A 100 18.002 -7.108 0.305 1.00 3.32 H new ATOM 1494 N GLY A 101 18.698 -7.939 5.359 1.00 74.41 N ATOM 1495 CA GLY A 101 18.771 -8.685 6.602 1.00 65.24 C ATOM 1496 C GLY A 101 19.327 -7.857 7.743 1.00 51.51 C ATOM 1497 O GLY A 101 19.169 -6.637 7.768 1.00 14.21 O ATOM 0 H GLY A 101 18.823 -6.931 5.456 1.00 74.41 H new ATOM 0 HA2 GLY A 101 17.776 -9.041 6.867 1.00 65.24 H new ATOM 0 HA3 GLY A 101 19.397 -9.566 6.457 1.00 65.24 H new ATOM 1501 N GLY A 102 19.979 -8.521 8.692 1.00 22.01 N ATOM 1502 CA GLY A 102 20.548 -7.822 9.829 1.00 23.05 C ATOM 1503 C GLY A 102 19.511 -7.490 10.884 1.00 43.31 C ATOM 1504 O GLY A 102 18.497 -8.176 11.004 1.00 54.11 O ATOM 0 H GLY A 102 20.123 -9.531 8.694 1.00 22.01 H new ATOM 0 HA2 GLY A 102 21.331 -8.436 10.274 1.00 23.05 H new ATOM 0 HA3 GLY A 102 21.021 -6.902 9.486 1.00 23.05 H new TER 1508 GLY A 102