USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 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 119 SER OG : rot 85:sc= 0.0692 USER MOD Set 1.2: A 132 SER OG : rot 180:sc= 0.0662 USER MOD Set 2.1: A 89 THR OG1 : rot 180:sc= -0.109 USER MOD Set 2.2: A 124 ASN : amide:sc= -0.254 K(o=-0.36,f=-3.5!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= -0.0504 (180deg=-0.275) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0723 X(o=-0.072,f=-0.23) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 113:sc= 0.231 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 37:sc= 0.126 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 170:sc= -0.123 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 164:sc= -0.0692 (180deg=-0.447) USER MOD Single : A 99 ASN : amide:sc= -0.0573 X(o=-0.057,f=-0.36) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0547 USER MOD Single : A 109 THR OG1 : rot -58:sc= 0.385 USER MOD Single : A 112 ASN : amide:sc=-0.00964 X(o=-0.0096,f=0) USER MOD Single : A 116 TYR OH : rot 14:sc= 0.772 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -0.514 X(o=-0.51,f=-0.82) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N ALA A 3 55.449 47.253 87.944 1.00 62.01 N ATOM 35 CA ALA A 3 54.468 46.224 87.677 1.00 73.34 C ATOM 36 C ALA A 3 53.477 46.178 88.821 1.00 0.00 C ATOM 37 O ALA A 3 53.861 46.014 89.982 1.00 4.10 O ATOM 38 CB ALA A 3 55.140 44.873 87.487 1.00 55.43 C ATOM 0 HA ALA A 3 53.940 46.459 86.753 1.00 73.34 H new ATOM 0 HB1 ALA A 3 54.383 44.115 87.287 1.00 55.43 H new ATOM 0 HB2 ALA A 3 55.831 44.926 86.646 1.00 55.43 H new ATOM 0 HB3 ALA A 3 55.688 44.609 88.391 1.00 55.43 H new ATOM 44 N ARG A 4 52.214 46.369 88.494 1.00 61.01 N ATOM 45 CA ARG A 4 51.153 46.339 89.478 1.00 52.25 C ATOM 46 C ARG A 4 50.263 45.127 89.241 1.00 35.12 C ATOM 47 O ARG A 4 49.807 44.871 88.121 1.00 23.22 O ATOM 48 CB ARG A 4 50.341 47.661 89.514 1.00 70.02 C ATOM 49 CG ARG A 4 49.788 48.161 88.177 1.00 74.14 C ATOM 50 CD ARG A 4 50.776 49.054 87.426 1.00 63.23 C ATOM 51 NE ARG A 4 50.242 49.511 86.142 1.00 32.13 N ATOM 52 CZ ARG A 4 50.982 49.988 85.138 1.00 24.44 C ATOM 53 NH1 ARG A 4 52.303 50.036 85.221 1.00 23.30 N ATOM 54 NH2 ARG A 4 50.396 50.395 84.027 1.00 42.35 N ATOM 0 H ARG A 4 51.896 46.549 87.542 1.00 61.01 H new ATOM 0 HA ARG A 4 51.608 46.246 90.464 1.00 52.25 H new ATOM 0 HB2 ARG A 4 49.505 47.529 90.201 1.00 70.02 H new ATOM 0 HB3 ARG A 4 50.977 48.441 89.933 1.00 70.02 H new ATOM 0 HG2 ARG A 4 49.531 47.306 87.552 1.00 74.14 H new ATOM 0 HG3 ARG A 4 48.866 48.715 88.354 1.00 74.14 H new ATOM 0 HD2 ARG A 4 51.024 49.918 88.043 1.00 63.23 H new ATOM 0 HD3 ARG A 4 51.703 48.506 87.258 1.00 63.23 H new ATOM 0 HE ARG A 4 49.233 49.462 86.004 1.00 32.13 H new ATOM 0 HH11 ARG A 4 52.773 49.705 86.063 1.00 23.30 H new ATOM 0 HH12 ARG A 4 52.850 50.404 84.443 1.00 23.30 H new ATOM 0 HH21 ARG A 4 49.381 50.345 83.938 1.00 42.35 H new ATOM 0 HH22 ARG A 4 50.958 50.760 83.258 1.00 42.35 H new ATOM 68 N ASP A 5 50.065 44.362 90.302 1.00 42.54 N ATOM 69 CA ASP A 5 49.289 43.138 90.251 1.00 1.33 C ATOM 70 C ASP A 5 47.835 43.428 90.626 1.00 42.42 C ATOM 71 O ASP A 5 47.518 43.738 91.775 1.00 41.44 O ATOM 72 CB ASP A 5 49.935 42.087 91.181 1.00 21.35 C ATOM 73 CG ASP A 5 49.169 40.788 91.250 1.00 71.33 C ATOM 74 OD1 ASP A 5 49.260 39.982 90.306 1.00 13.11 O ATOM 75 OD2 ASP A 5 48.483 40.563 92.261 1.00 4.21 O ATOM 0 H ASP A 5 50.441 44.575 91.226 1.00 42.54 H new ATOM 0 HA ASP A 5 49.286 42.733 89.239 1.00 1.33 H new ATOM 0 HB2 ASP A 5 50.949 41.883 90.836 1.00 21.35 H new ATOM 0 HB3 ASP A 5 50.017 42.504 92.185 1.00 21.35 H new ATOM 80 N ASN A 6 46.962 43.384 89.627 1.00 21.21 N ATOM 81 CA ASN A 6 45.545 43.625 89.837 1.00 45.21 C ATOM 82 C ASN A 6 44.779 42.309 89.791 1.00 51.30 C ATOM 83 O ASN A 6 44.754 41.626 88.761 1.00 52.43 O ATOM 84 CB ASN A 6 45.010 44.615 88.792 1.00 72.03 C ATOM 85 CG ASN A 6 43.526 44.897 88.940 1.00 2.33 C ATOM 86 OD1 ASN A 6 42.690 44.237 88.324 1.00 61.05 O ATOM 87 ND2 ASN A 6 43.188 45.861 89.776 1.00 64.02 N ATOM 0 H ASN A 6 47.215 43.182 88.660 1.00 21.21 H new ATOM 0 HA ASN A 6 45.402 44.069 90.822 1.00 45.21 H new ATOM 0 HB2 ASN A 6 45.561 45.552 88.873 1.00 72.03 H new ATOM 0 HB3 ASN A 6 45.200 44.219 87.795 1.00 72.03 H new ATOM 0 HD21 ASN A 6 42.204 46.081 89.930 1.00 64.02 H new ATOM 0 HD22 ASN A 6 43.911 46.386 90.268 1.00 64.02 H new ATOM 94 N LYS A 7 44.178 41.942 90.911 1.00 73.43 N ATOM 95 CA LYS A 7 43.430 40.698 90.993 1.00 20.21 C ATOM 96 C LYS A 7 41.941 40.966 91.135 1.00 74.24 C ATOM 97 O LYS A 7 41.440 41.225 92.233 1.00 63.01 O ATOM 98 CB LYS A 7 43.936 39.824 92.145 1.00 30.43 C ATOM 99 CG LYS A 7 45.392 39.391 92.011 1.00 24.11 C ATOM 100 CD LYS A 7 45.659 38.630 90.712 1.00 35.41 C ATOM 101 CE LYS A 7 45.050 37.233 90.717 1.00 4.55 C ATOM 102 NZ LYS A 7 45.647 36.366 91.770 1.00 44.52 N ATOM 0 H LYS A 7 44.193 42.486 91.774 1.00 73.43 H new ATOM 0 HA LYS A 7 43.589 40.154 90.062 1.00 20.21 H new ATOM 0 HB2 LYS A 7 43.816 40.371 93.080 1.00 30.43 H new ATOM 0 HB3 LYS A 7 43.309 38.935 92.213 1.00 30.43 H new ATOM 0 HG2 LYS A 7 46.035 40.271 92.052 1.00 24.11 H new ATOM 0 HG3 LYS A 7 45.660 38.761 92.859 1.00 24.11 H new ATOM 0 HD2 LYS A 7 45.254 39.196 89.873 1.00 35.41 H new ATOM 0 HD3 LYS A 7 46.735 38.553 90.555 1.00 35.41 H new ATOM 0 HE2 LYS A 7 43.974 37.307 90.876 1.00 4.55 H new ATOM 0 HE3 LYS A 7 45.197 36.770 89.741 1.00 4.55 H new ATOM 0 HZ1 LYS A 7 45.401 35.373 91.583 1.00 44.52 H new ATOM 0 HZ2 LYS A 7 46.681 36.474 91.763 1.00 44.52 H new ATOM 0 HZ3 LYS A 7 45.276 36.645 92.701 1.00 44.52 H new ATOM 116 N PHE A 8 41.246 40.897 90.009 1.00 24.15 N ATOM 117 CA PHE A 8 39.823 41.189 89.954 1.00 32.45 C ATOM 118 C PHE A 8 39.008 39.955 90.337 1.00 43.52 C ATOM 119 O PHE A 8 39.254 38.861 89.836 1.00 40.42 O ATOM 120 CB PHE A 8 39.436 41.681 88.542 1.00 4.31 C ATOM 121 CG PHE A 8 37.957 41.925 88.348 1.00 1.34 C ATOM 122 CD1 PHE A 8 37.331 43.002 88.953 1.00 64.32 C ATOM 123 CD2 PHE A 8 37.200 41.070 87.560 1.00 73.12 C ATOM 124 CE1 PHE A 8 35.980 43.221 88.777 1.00 11.22 C ATOM 125 CE2 PHE A 8 35.850 41.287 87.382 1.00 25.54 C ATOM 126 CZ PHE A 8 35.237 42.364 87.991 1.00 61.44 C ATOM 0 H PHE A 8 41.652 40.638 89.110 1.00 24.15 H new ATOM 0 HA PHE A 8 39.600 41.979 90.671 1.00 32.45 H new ATOM 0 HB2 PHE A 8 39.975 42.605 88.333 1.00 4.31 H new ATOM 0 HB3 PHE A 8 39.769 40.945 87.810 1.00 4.31 H new ATOM 0 HD1 PHE A 8 37.906 43.677 89.569 1.00 64.32 H new ATOM 0 HD2 PHE A 8 37.673 40.226 87.081 1.00 73.12 H new ATOM 0 HE1 PHE A 8 35.504 44.064 89.255 1.00 11.22 H new ATOM 0 HE2 PHE A 8 35.272 40.614 86.766 1.00 25.54 H new ATOM 0 HZ PHE A 8 34.180 42.535 87.853 1.00 61.44 H new ATOM 136 N ASN A 9 38.052 40.151 91.227 1.00 23.21 N ATOM 137 CA ASN A 9 37.110 39.107 91.590 1.00 15.25 C ATOM 138 C ASN A 9 35.697 39.569 91.238 1.00 40.42 C ATOM 139 O ASN A 9 35.293 40.676 91.608 1.00 22.51 O ATOM 140 CB ASN A 9 37.212 38.794 93.090 1.00 4.53 C ATOM 141 CG ASN A 9 36.352 37.617 93.517 1.00 63.43 C ATOM 142 OD1 ASN A 9 36.148 36.666 92.762 1.00 25.33 O ATOM 143 ND2 ASN A 9 35.830 37.685 94.726 1.00 50.12 N ATOM 0 H ASN A 9 37.907 41.034 91.717 1.00 23.21 H new ATOM 0 HA ASN A 9 37.344 38.197 91.037 1.00 15.25 H new ATOM 0 HB2 ASN A 9 38.252 38.585 93.341 1.00 4.53 H new ATOM 0 HB3 ASN A 9 36.918 39.676 93.659 1.00 4.53 H new ATOM 0 HD21 ASN A 9 35.232 36.932 95.067 1.00 50.12 H new ATOM 0 HD22 ASN A 9 36.024 38.491 95.321 1.00 50.12 H new ATOM 150 N THR A 10 34.956 38.739 90.514 1.00 54.24 N ATOM 151 CA THR A 10 33.577 39.057 90.189 1.00 25.35 C ATOM 152 C THR A 10 32.626 38.113 90.932 1.00 0.23 C ATOM 153 O THR A 10 32.971 36.966 91.242 1.00 55.33 O ATOM 154 CB THR A 10 33.314 39.053 88.648 1.00 62.44 C ATOM 155 OG1 THR A 10 32.014 39.580 88.362 1.00 64.40 O ATOM 156 CG2 THR A 10 33.426 37.666 88.029 1.00 20.31 C ATOM 0 H THR A 10 35.287 37.848 90.144 1.00 54.24 H new ATOM 0 HA THR A 10 33.382 40.075 90.526 1.00 25.35 H new ATOM 0 HB THR A 10 34.088 39.681 88.207 1.00 62.44 H new ATOM 0 HG1 THR A 10 31.864 39.573 87.394 1.00 64.40 H new ATOM 0 HG21 THR A 10 33.233 37.729 86.958 1.00 20.31 H new ATOM 0 HG22 THR A 10 34.429 37.274 88.194 1.00 20.31 H new ATOM 0 HG23 THR A 10 32.696 37.001 88.491 1.00 20.31 H new ATOM 164 N TRP A 11 31.456 38.632 91.250 1.00 52.10 N ATOM 165 CA TRP A 11 30.418 37.894 91.941 1.00 70.32 C ATOM 166 C TRP A 11 29.065 38.340 91.405 1.00 44.45 C ATOM 167 O TRP A 11 28.811 39.538 91.274 1.00 52.14 O ATOM 168 CB TRP A 11 30.521 38.133 93.464 1.00 52.03 C ATOM 169 CG TRP A 11 29.376 37.578 94.267 1.00 24.24 C ATOM 170 CD1 TRP A 11 28.488 38.295 95.010 1.00 31.11 C ATOM 171 CD2 TRP A 11 28.974 36.205 94.380 1.00 41.20 C ATOM 172 NE1 TRP A 11 27.561 37.462 95.574 1.00 73.21 N ATOM 173 CE2 TRP A 11 27.836 36.173 95.207 1.00 23.11 C ATOM 174 CE3 TRP A 11 29.464 35.007 93.864 1.00 12.03 C ATOM 175 CZ2 TRP A 11 27.182 34.989 95.531 1.00 2.33 C ATOM 176 CZ3 TRP A 11 28.815 33.835 94.180 1.00 23.05 C ATOM 177 CH2 TRP A 11 27.684 33.831 95.008 1.00 20.52 C ATOM 0 H TRP A 11 31.196 39.594 91.032 1.00 52.10 H new ATOM 0 HA TRP A 11 30.536 36.825 91.766 1.00 70.32 H new ATOM 0 HB2 TRP A 11 31.449 37.690 93.826 1.00 52.03 H new ATOM 0 HB3 TRP A 11 30.588 39.206 93.646 1.00 52.03 H new ATOM 0 HD1 TRP A 11 28.512 39.367 95.136 1.00 31.11 H new ATOM 0 HE1 TRP A 11 26.789 37.755 96.172 1.00 73.21 H new ATOM 0 HE3 TRP A 11 30.337 34.998 93.228 1.00 12.03 H new ATOM 0 HZ2 TRP A 11 26.312 34.985 96.171 1.00 2.33 H new ATOM 0 HZ3 TRP A 11 29.184 32.901 93.783 1.00 23.05 H new ATOM 0 HH2 TRP A 11 27.200 32.893 95.237 1.00 20.52 H new ATOM 188 N ASN A 12 28.214 37.374 91.079 1.00 64.24 N ATOM 189 CA ASN A 12 26.861 37.669 90.634 1.00 73.52 C ATOM 190 C ASN A 12 25.897 37.645 91.815 1.00 4.43 C ATOM 191 O ASN A 12 25.880 36.697 92.602 1.00 41.32 O ATOM 192 CB ASN A 12 26.416 36.703 89.512 1.00 41.31 C ATOM 193 CG ASN A 12 26.482 35.222 89.880 1.00 63.14 C ATOM 194 OD1 ASN A 12 27.531 34.594 89.774 1.00 41.44 O ATOM 195 ND2 ASN A 12 25.351 34.647 90.270 1.00 34.50 N ATOM 0 H ASN A 12 28.439 36.380 91.115 1.00 64.24 H new ATOM 0 HA ASN A 12 26.849 38.674 90.211 1.00 73.52 H new ATOM 0 HB2 ASN A 12 25.393 36.947 89.226 1.00 41.31 H new ATOM 0 HB3 ASN A 12 27.041 36.874 88.636 1.00 41.31 H new ATOM 0 HD21 ASN A 12 25.335 33.652 90.493 1.00 34.50 H new ATOM 0 HD22 ASN A 12 24.498 35.200 90.347 1.00 34.50 H new ATOM 202 N ASP A 13 25.127 38.716 91.953 1.00 41.15 N ATOM 203 CA ASP A 13 24.142 38.835 93.021 1.00 4.53 C ATOM 204 C ASP A 13 22.886 38.032 92.684 1.00 22.24 C ATOM 205 O ASP A 13 22.310 38.176 91.604 1.00 63.33 O ATOM 206 CB ASP A 13 23.795 40.318 93.250 1.00 1.45 C ATOM 207 CG ASP A 13 22.719 40.529 94.302 1.00 32.43 C ATOM 208 OD1 ASP A 13 23.032 40.444 95.503 1.00 35.34 O ATOM 209 OD2 ASP A 13 21.556 40.768 93.926 1.00 43.31 O ATOM 0 H ASP A 13 25.167 39.524 91.331 1.00 41.15 H new ATOM 0 HA ASP A 13 24.566 38.429 93.939 1.00 4.53 H new ATOM 0 HB2 ASP A 13 24.696 40.852 93.550 1.00 1.45 H new ATOM 0 HB3 ASP A 13 23.463 40.756 92.308 1.00 1.45 H new ATOM 214 N SER A 14 22.487 37.174 93.607 1.00 22.14 N ATOM 215 CA SER A 14 21.300 36.349 93.441 1.00 3.24 C ATOM 216 C SER A 14 20.043 37.164 93.740 1.00 44.24 C ATOM 217 O SER A 14 19.894 37.730 94.825 1.00 42.01 O ATOM 218 CB SER A 14 21.379 35.145 94.377 1.00 4.30 C ATOM 219 OG SER A 14 22.609 34.460 94.214 1.00 32.21 O ATOM 0 H SER A 14 22.975 37.029 94.491 1.00 22.14 H new ATOM 0 HA SER A 14 21.250 36.000 92.410 1.00 3.24 H new ATOM 0 HB2 SER A 14 21.276 35.475 95.411 1.00 4.30 H new ATOM 0 HB3 SER A 14 20.550 34.467 94.175 1.00 4.30 H new ATOM 0 HG SER A 14 22.640 33.693 94.824 1.00 32.21 H new ATOM 225 N ARG A 15 19.153 37.238 92.767 1.00 73.31 N ATOM 226 CA ARG A 15 17.921 38.000 92.909 1.00 23.35 C ATOM 227 C ARG A 15 16.710 37.081 92.806 1.00 34.43 C ATOM 228 O ARG A 15 16.707 36.123 92.022 1.00 12.23 O ATOM 229 CB ARG A 15 17.831 39.155 91.880 1.00 33.32 C ATOM 230 CG ARG A 15 17.901 38.745 90.411 1.00 71.32 C ATOM 231 CD ARG A 15 19.334 38.661 89.900 1.00 42.54 C ATOM 232 NE ARG A 15 19.411 38.080 88.562 1.00 22.14 N ATOM 233 CZ ARG A 15 20.515 37.533 88.034 1.00 65.23 C ATOM 234 NH1 ARG A 15 21.654 37.494 88.721 1.00 2.23 N ATOM 235 NH2 ARG A 15 20.469 37.017 86.818 1.00 3.42 N ATOM 0 H ARG A 15 19.260 36.777 91.863 1.00 73.31 H new ATOM 0 HA ARG A 15 17.929 38.455 93.899 1.00 23.35 H new ATOM 0 HB2 ARG A 15 16.896 39.690 92.044 1.00 33.32 H new ATOM 0 HB3 ARG A 15 18.640 39.858 92.080 1.00 33.32 H new ATOM 0 HG2 ARG A 15 17.415 37.778 90.283 1.00 71.32 H new ATOM 0 HG3 ARG A 15 17.345 39.464 89.809 1.00 71.32 H new ATOM 0 HD2 ARG A 15 19.772 39.659 89.886 1.00 42.54 H new ATOM 0 HD3 ARG A 15 19.929 38.061 90.589 1.00 42.54 H new ATOM 0 HE ARG A 15 18.567 38.091 87.990 1.00 22.14 H new ATOM 0 HH11 ARG A 15 21.695 37.884 89.663 1.00 2.23 H new ATOM 0 HH12 ARG A 15 22.486 37.074 88.306 1.00 2.23 H new ATOM 0 HH21 ARG A 15 19.598 37.037 86.288 1.00 3.42 H new ATOM 0 HH22 ARG A 15 21.305 36.599 86.409 1.00 3.42 H new ATOM 249 N GLY A 16 15.704 37.360 93.624 1.00 0.13 N ATOM 250 CA GLY A 16 14.475 36.600 93.590 1.00 54.32 C ATOM 251 C GLY A 16 13.419 37.290 92.758 1.00 40.54 C ATOM 252 O GLY A 16 13.331 38.518 92.763 1.00 62.00 O ATOM 0 H GLY A 16 15.721 38.108 94.317 1.00 0.13 H new ATOM 0 HA2 GLY A 16 14.671 35.608 93.182 1.00 54.32 H new ATOM 0 HA3 GLY A 16 14.105 36.459 94.606 1.00 54.32 H new ATOM 256 N ASN A 17 12.627 36.508 92.042 1.00 13.44 N ATOM 257 CA ASN A 17 11.594 37.051 91.171 1.00 22.43 C ATOM 258 C ASN A 17 10.225 36.540 91.596 1.00 12.45 C ATOM 259 O ASN A 17 9.965 35.331 91.586 1.00 63.30 O ATOM 260 CB ASN A 17 11.873 36.674 89.707 1.00 23.25 C ATOM 261 CG ASN A 17 10.898 37.310 88.724 1.00 74.01 C ATOM 262 OD1 ASN A 17 10.390 38.414 88.942 1.00 51.35 O ATOM 263 ND2 ASN A 17 10.632 36.614 87.634 1.00 3.24 N ATOM 0 H ASN A 17 12.680 35.489 92.047 1.00 13.44 H new ATOM 0 HA ASN A 17 11.604 38.138 91.256 1.00 22.43 H new ATOM 0 HB2 ASN A 17 12.888 36.976 89.448 1.00 23.25 H new ATOM 0 HB3 ASN A 17 11.827 35.590 89.603 1.00 23.25 H new ATOM 0 HD21 ASN A 17 9.987 36.985 86.937 1.00 3.24 H new ATOM 0 HD22 ASN A 17 11.072 35.705 87.489 1.00 3.24 H new ATOM 270 N TYR A 18 9.364 37.472 91.977 1.00 42.33 N ATOM 271 CA TYR A 18 7.992 37.164 92.362 1.00 1.10 C ATOM 272 C TYR A 18 7.038 38.094 91.625 1.00 40.02 C ATOM 273 O TYR A 18 7.475 39.068 91.004 1.00 33.40 O ATOM 274 CB TYR A 18 7.801 37.298 93.881 1.00 60.14 C ATOM 275 CG TYR A 18 8.596 36.292 94.695 1.00 14.14 C ATOM 276 CD1 TYR A 18 8.170 34.973 94.808 1.00 10.23 C ATOM 277 CD2 TYR A 18 9.767 36.662 95.344 1.00 23.04 C ATOM 278 CE1 TYR A 18 8.888 34.051 95.544 1.00 25.14 C ATOM 279 CE2 TYR A 18 10.491 35.746 96.080 1.00 32.12 C ATOM 280 CZ TYR A 18 10.047 34.443 96.179 1.00 52.33 C ATOM 281 OH TYR A 18 10.769 33.527 96.906 1.00 34.34 O ATOM 0 H TYR A 18 9.596 38.464 92.028 1.00 42.33 H new ATOM 0 HA TYR A 18 7.776 36.131 92.089 1.00 1.10 H new ATOM 0 HB2 TYR A 18 8.088 38.304 94.186 1.00 60.14 H new ATOM 0 HB3 TYR A 18 6.743 37.184 94.115 1.00 60.14 H new ATOM 0 HD1 TYR A 18 7.262 34.664 94.312 1.00 10.23 H new ATOM 0 HD2 TYR A 18 10.116 37.681 95.272 1.00 23.04 H new ATOM 0 HE1 TYR A 18 8.544 33.030 95.621 1.00 25.14 H new ATOM 0 HE2 TYR A 18 11.401 36.048 96.577 1.00 32.12 H new ATOM 0 HH TYR A 18 11.559 33.963 97.289 1.00 34.34 H new ATOM 291 N TRP A 19 5.745 37.795 91.690 1.00 61.30 N ATOM 292 CA TRP A 19 4.734 38.581 90.984 1.00 13.21 C ATOM 293 C TRP A 19 3.408 38.603 91.755 1.00 53.31 C ATOM 294 O TRP A 19 3.073 37.651 92.470 1.00 13.52 O ATOM 295 CB TRP A 19 4.519 38.049 89.545 1.00 51.32 C ATOM 296 CG TRP A 19 3.928 36.667 89.455 1.00 53.14 C ATOM 297 CD1 TRP A 19 4.548 35.487 89.738 1.00 33.31 C ATOM 298 CD2 TRP A 19 2.602 36.329 89.032 1.00 13.30 C ATOM 299 NE1 TRP A 19 3.683 34.442 89.553 1.00 31.32 N ATOM 300 CE2 TRP A 19 2.486 34.930 89.106 1.00 13.01 C ATOM 301 CE3 TRP A 19 1.499 37.074 88.603 1.00 43.15 C ATOM 302 CZ2 TRP A 19 1.314 34.262 88.771 1.00 4.23 C ATOM 303 CZ3 TRP A 19 0.341 36.407 88.265 1.00 4.34 C ATOM 304 CH2 TRP A 19 0.258 35.014 88.350 1.00 22.22 C ATOM 0 H TRP A 19 5.370 37.012 92.225 1.00 61.30 H new ATOM 0 HA TRP A 19 5.102 39.605 90.917 1.00 13.21 H new ATOM 0 HB2 TRP A 19 3.867 38.741 89.012 1.00 51.32 H new ATOM 0 HB3 TRP A 19 5.478 38.051 89.027 1.00 51.32 H new ATOM 0 HD1 TRP A 19 5.574 35.390 90.062 1.00 33.31 H new ATOM 0 HE1 TRP A 19 3.897 33.459 89.721 1.00 31.32 H new ATOM 0 HE3 TRP A 19 1.553 38.151 88.538 1.00 43.15 H new ATOM 0 HZ2 TRP A 19 1.243 33.187 88.842 1.00 4.23 H new ATOM 0 HZ3 TRP A 19 -0.517 36.970 87.929 1.00 4.34 H new ATOM 0 HH2 TRP A 19 -0.664 34.523 88.076 1.00 22.22 H new ATOM 315 N SER A 20 2.680 39.707 91.617 1.00 62.41 N ATOM 316 CA SER A 20 1.346 39.862 92.197 1.00 32.54 C ATOM 317 C SER A 20 0.487 40.713 91.268 1.00 50.12 C ATOM 318 O SER A 20 0.635 41.938 91.216 1.00 33.32 O ATOM 319 CB SER A 20 1.406 40.513 93.586 1.00 65.32 C ATOM 320 OG SER A 20 2.215 39.775 94.486 1.00 41.41 O ATOM 0 H SER A 20 2.999 40.525 91.097 1.00 62.41 H new ATOM 0 HA SER A 20 0.907 38.871 92.311 1.00 32.54 H new ATOM 0 HB2 SER A 20 1.798 41.526 93.494 1.00 65.32 H new ATOM 0 HB3 SER A 20 0.397 40.596 93.991 1.00 65.32 H new ATOM 0 HG SER A 20 2.228 40.224 95.357 1.00 41.41 H new ATOM 326 N ASP A 21 -0.383 40.063 90.515 1.00 41.52 N ATOM 327 CA ASP A 21 -1.245 40.762 89.576 1.00 70.21 C ATOM 328 C ASP A 21 -2.639 40.929 90.175 1.00 51.02 C ATOM 329 O ASP A 21 -3.078 40.118 91.003 1.00 61.24 O ATOM 330 CB ASP A 21 -1.310 39.997 88.247 1.00 71.45 C ATOM 331 CG ASP A 21 -1.848 40.837 87.100 1.00 71.20 C ATOM 332 OD1 ASP A 21 -1.053 41.539 86.446 1.00 63.51 O ATOM 333 OD2 ASP A 21 -3.060 40.810 86.843 1.00 13.43 O ATOM 0 H ASP A 21 -0.512 39.051 90.535 1.00 41.52 H new ATOM 0 HA ASP A 21 -0.832 41.752 89.380 1.00 70.21 H new ATOM 0 HB2 ASP A 21 -0.312 39.640 87.991 1.00 71.45 H new ATOM 0 HB3 ASP A 21 -1.941 39.117 88.372 1.00 71.45 H new ATOM 338 N TYR A 22 -3.314 42.002 89.778 1.00 1.22 N ATOM 339 CA TYR A 22 -4.683 42.269 90.199 1.00 2.31 C ATOM 340 C TYR A 22 -5.659 41.498 89.308 1.00 3.11 C ATOM 341 O TYR A 22 -6.137 41.997 88.286 1.00 10.42 O ATOM 342 CB TYR A 22 -4.964 43.787 90.161 1.00 33.14 C ATOM 343 CG TYR A 22 -6.240 44.222 90.857 1.00 71.22 C ATOM 344 CD1 TYR A 22 -6.298 44.314 92.241 1.00 25.53 C ATOM 345 CD2 TYR A 22 -7.384 44.539 90.132 1.00 43.32 C ATOM 346 CE1 TYR A 22 -7.455 44.707 92.882 1.00 71.33 C ATOM 347 CE2 TYR A 22 -8.546 44.932 90.769 1.00 51.00 C ATOM 348 CZ TYR A 22 -8.576 45.012 92.143 1.00 61.25 C ATOM 349 OH TYR A 22 -9.724 45.397 92.788 1.00 21.31 O ATOM 0 H TYR A 22 -2.927 42.711 89.155 1.00 1.22 H new ATOM 0 HA TYR A 22 -4.820 41.930 91.226 1.00 2.31 H new ATOM 0 HB2 TYR A 22 -4.123 44.308 90.618 1.00 33.14 H new ATOM 0 HB3 TYR A 22 -5.009 44.107 89.120 1.00 33.14 H new ATOM 0 HD1 TYR A 22 -5.423 44.074 92.826 1.00 25.53 H new ATOM 0 HD2 TYR A 22 -7.364 44.477 89.054 1.00 43.32 H new ATOM 0 HE1 TYR A 22 -7.481 44.775 93.960 1.00 71.33 H new ATOM 0 HE2 TYR A 22 -9.426 45.175 90.192 1.00 51.00 H new ATOM 0 HH TYR A 22 -10.425 45.579 92.128 1.00 21.31 H new ATOM 848 N PRO A 59 -20.483 -0.562 15.929 1.00 50.42 N ATOM 849 CA PRO A 59 -19.679 -1.550 15.203 1.00 15.13 C ATOM 850 C PRO A 59 -18.329 -0.997 14.756 1.00 21.41 C ATOM 851 O PRO A 59 -18.211 0.168 14.355 1.00 12.11 O ATOM 852 CB PRO A 59 -20.542 -1.920 13.996 1.00 34.43 C ATOM 853 CG PRO A 59 -21.489 -0.782 13.821 1.00 61.12 C ATOM 854 CD PRO A 59 -21.709 -0.197 15.184 1.00 23.21 C ATOM 0 HA PRO A 59 -19.434 -2.404 15.834 1.00 15.13 H new ATOM 0 HB2 PRO A 59 -19.930 -2.062 13.105 1.00 34.43 H new ATOM 0 HB3 PRO A 59 -21.078 -2.854 14.168 1.00 34.43 H new ATOM 0 HG2 PRO A 59 -21.078 -0.036 13.141 1.00 61.12 H new ATOM 0 HG3 PRO A 59 -22.430 -1.123 13.389 1.00 61.12 H new ATOM 0 HD2 PRO A 59 -21.842 0.884 15.138 1.00 23.21 H new ATOM 0 HD3 PRO A 59 -22.601 -0.608 15.656 1.00 23.21 H new ATOM 862 N VAL A 60 -17.315 -1.839 14.849 1.00 3.44 N ATOM 863 CA VAL A 60 -15.962 -1.451 14.501 1.00 2.21 C ATOM 864 C VAL A 60 -15.746 -1.608 12.985 1.00 40.22 C ATOM 865 O VAL A 60 -16.258 -2.542 12.357 1.00 1.24 O ATOM 866 CB VAL A 60 -14.926 -2.257 15.339 1.00 31.33 C ATOM 867 CG1 VAL A 60 -15.026 -3.755 15.079 1.00 33.01 C ATOM 868 CG2 VAL A 60 -13.507 -1.759 15.121 1.00 32.24 C ATOM 0 H VAL A 60 -17.406 -2.804 15.166 1.00 3.44 H new ATOM 0 HA VAL A 60 -15.811 -0.400 14.746 1.00 2.21 H new ATOM 0 HB VAL A 60 -15.175 -2.088 16.386 1.00 31.33 H new ATOM 0 HG11 VAL A 60 -14.286 -4.279 15.683 1.00 33.01 H new ATOM 0 HG12 VAL A 60 -16.024 -4.104 15.344 1.00 33.01 H new ATOM 0 HG13 VAL A 60 -14.840 -3.954 14.024 1.00 33.01 H new ATOM 0 HG21 VAL A 60 -12.818 -2.349 15.725 1.00 32.24 H new ATOM 0 HG22 VAL A 60 -13.244 -1.859 14.068 1.00 32.24 H new ATOM 0 HG23 VAL A 60 -13.440 -0.711 15.414 1.00 32.24 H new ATOM 878 N LEU A 61 -15.043 -0.645 12.407 1.00 71.13 N ATOM 879 CA LEU A 61 -14.776 -0.605 10.973 1.00 35.02 C ATOM 880 C LEU A 61 -13.291 -0.924 10.709 1.00 20.31 C ATOM 881 O LEU A 61 -12.497 -0.908 11.657 1.00 65.32 O ATOM 882 CB LEU A 61 -15.252 0.748 10.316 1.00 33.30 C ATOM 883 CG LEU A 61 -14.952 2.147 10.950 1.00 21.50 C ATOM 884 CD1 LEU A 61 -15.759 2.395 12.210 1.00 45.21 C ATOM 885 CD2 LEU A 61 -13.477 2.363 11.223 1.00 33.44 C ATOM 0 H LEU A 61 -14.638 0.137 12.922 1.00 71.13 H new ATOM 0 HA LEU A 61 -15.369 -1.377 10.483 1.00 35.02 H new ATOM 0 HB2 LEU A 61 -14.836 0.768 9.309 1.00 33.30 H new ATOM 0 HB3 LEU A 61 -16.335 0.679 10.213 1.00 33.30 H new ATOM 0 HG LEU A 61 -15.261 2.875 10.200 1.00 21.50 H new ATOM 0 HD11 LEU A 61 -15.514 3.379 12.611 1.00 45.21 H new ATOM 0 HD12 LEU A 61 -16.823 2.353 11.975 1.00 45.21 H new ATOM 0 HD13 LEU A 61 -15.521 1.632 12.951 1.00 45.21 H new ATOM 0 HD21 LEU A 61 -13.329 3.350 11.662 1.00 33.44 H new ATOM 0 HD22 LEU A 61 -13.120 1.600 11.915 1.00 33.44 H new ATOM 0 HD23 LEU A 61 -12.920 2.295 10.288 1.00 33.44 H new ATOM 897 N PRO A 62 -12.873 -1.239 9.447 1.00 14.10 N ATOM 898 CA PRO A 62 -11.477 -1.579 9.138 1.00 1.20 C ATOM 899 C PRO A 62 -10.535 -0.377 9.177 1.00 22.35 C ATOM 900 O PRO A 62 -10.959 0.763 9.395 1.00 44.32 O ATOM 901 CB PRO A 62 -11.545 -2.137 7.715 1.00 64.11 C ATOM 902 CG PRO A 62 -12.717 -1.455 7.110 1.00 4.23 C ATOM 903 CD PRO A 62 -13.710 -1.310 8.227 1.00 53.41 C ATOM 0 HA PRO A 62 -11.076 -2.274 9.876 1.00 1.20 H new ATOM 0 HB2 PRO A 62 -10.631 -1.925 7.160 1.00 64.11 H new ATOM 0 HB3 PRO A 62 -11.672 -3.220 7.718 1.00 64.11 H new ATOM 0 HG2 PRO A 62 -12.439 -0.483 6.702 1.00 4.23 H new ATOM 0 HG3 PRO A 62 -13.131 -2.039 6.288 1.00 4.23 H new ATOM 0 HD2 PRO A 62 -14.317 -0.412 8.107 1.00 53.41 H new ATOM 0 HD3 PRO A 62 -14.396 -2.156 8.263 1.00 53.41 H new ATOM 911 N THR A 63 -9.261 -0.643 8.989 1.00 12.55 N ATOM 912 CA THR A 63 -8.287 0.393 8.886 1.00 64.22 C ATOM 913 C THR A 63 -7.280 -0.001 7.813 1.00 43.10 C ATOM 914 O THR A 63 -6.769 -1.141 7.789 1.00 14.31 O ATOM 915 CB THR A 63 -7.634 0.722 10.274 1.00 44.14 C ATOM 916 OG1 THR A 63 -7.280 2.108 10.322 1.00 10.33 O ATOM 917 CG2 THR A 63 -6.392 -0.105 10.612 1.00 45.10 C ATOM 0 H THR A 63 -8.883 -1.587 8.905 1.00 12.55 H new ATOM 0 HA THR A 63 -8.761 1.326 8.582 1.00 64.22 H new ATOM 0 HB THR A 63 -8.390 0.465 11.016 1.00 44.14 H new ATOM 0 HG1 THR A 63 -6.874 2.312 11.190 1.00 10.33 H new ATOM 0 HG21 THR A 63 -6.011 0.193 11.589 1.00 45.10 H new ATOM 0 HG22 THR A 63 -6.654 -1.163 10.632 1.00 45.10 H new ATOM 0 HG23 THR A 63 -5.625 0.065 9.857 1.00 45.10 H new ATOM 925 N ALA A 64 -7.115 0.888 6.847 1.00 65.55 N ATOM 926 CA ALA A 64 -6.129 0.713 5.807 1.00 21.23 C ATOM 927 C ALA A 64 -4.779 1.145 6.323 1.00 54.33 C ATOM 928 O ALA A 64 -4.508 2.336 6.502 1.00 40.13 O ATOM 929 CB ALA A 64 -6.519 1.480 4.565 1.00 72.43 C ATOM 0 H ALA A 64 -7.661 1.746 6.767 1.00 65.55 H new ATOM 0 HA ALA A 64 -6.076 -0.340 5.530 1.00 21.23 H new ATOM 0 HB1 ALA A 64 -5.762 1.334 3.794 1.00 72.43 H new ATOM 0 HB2 ALA A 64 -7.481 1.119 4.202 1.00 72.43 H new ATOM 0 HB3 ALA A 64 -6.596 2.541 4.802 1.00 72.43 H new ATOM 935 N ARG A 65 -3.950 0.167 6.593 1.00 24.32 N ATOM 936 CA ARG A 65 -2.679 0.411 7.211 1.00 30.50 C ATOM 937 C ARG A 65 -1.661 -0.528 6.606 1.00 4.04 C ATOM 938 O ARG A 65 -1.942 -1.711 6.407 1.00 53.42 O ATOM 939 CB ARG A 65 -2.789 0.217 8.731 1.00 41.04 C ATOM 940 CG ARG A 65 -1.571 0.694 9.503 1.00 11.20 C ATOM 941 CD ARG A 65 -1.690 0.398 10.989 1.00 13.51 C ATOM 942 NE ARG A 65 -0.483 0.796 11.722 1.00 73.34 N ATOM 943 CZ ARG A 65 -0.227 0.478 12.999 1.00 24.15 C ATOM 944 NH1 ARG A 65 -1.076 -0.268 13.697 1.00 72.24 N ATOM 945 NH2 ARG A 65 0.897 0.884 13.565 1.00 44.31 N ATOM 0 H ARG A 65 -4.140 -0.814 6.390 1.00 24.32 H new ATOM 0 HA ARG A 65 -2.361 1.438 7.034 1.00 30.50 H new ATOM 0 HB2 ARG A 65 -3.668 0.751 9.093 1.00 41.04 H new ATOM 0 HB3 ARG A 65 -2.949 -0.840 8.942 1.00 41.04 H new ATOM 0 HG2 ARG A 65 -0.678 0.211 9.107 1.00 11.20 H new ATOM 0 HG3 ARG A 65 -1.445 1.767 9.355 1.00 11.20 H new ATOM 0 HD2 ARG A 65 -2.553 0.925 11.397 1.00 13.51 H new ATOM 0 HD3 ARG A 65 -1.869 -0.667 11.134 1.00 13.51 H new ATOM 0 HE ARG A 65 0.211 1.354 11.225 1.00 73.34 H new ATOM 0 HH11 ARG A 65 -1.934 -0.606 13.262 1.00 72.24 H new ATOM 0 HH12 ARG A 65 -0.869 -0.503 14.668 1.00 72.24 H new ATOM 0 HH21 ARG A 65 1.566 1.438 13.030 1.00 44.31 H new ATOM 0 HH22 ARG A 65 1.095 0.644 14.536 1.00 44.31 H new ATOM 959 N PHE A 66 -0.514 0.020 6.262 1.00 5.11 N ATOM 960 CA PHE A 66 0.599 -0.763 5.768 1.00 75.31 C ATOM 961 C PHE A 66 1.877 0.022 5.985 1.00 50.14 C ATOM 962 O PHE A 66 1.837 1.247 6.147 1.00 73.31 O ATOM 963 CB PHE A 66 0.421 -1.152 4.278 1.00 34.40 C ATOM 964 CG PHE A 66 0.484 -0.024 3.275 1.00 41.31 C ATOM 965 CD1 PHE A 66 -0.583 0.847 3.107 1.00 61.44 C ATOM 966 CD2 PHE A 66 1.608 0.147 2.483 1.00 21.13 C ATOM 967 CE1 PHE A 66 -0.528 1.859 2.175 1.00 34.41 C ATOM 968 CE2 PHE A 66 1.666 1.156 1.548 1.00 11.34 C ATOM 969 CZ PHE A 66 0.595 2.009 1.394 1.00 55.35 C ATOM 0 H PHE A 66 -0.327 1.021 6.317 1.00 5.11 H new ATOM 0 HA PHE A 66 0.646 -1.701 6.321 1.00 75.31 H new ATOM 0 HB2 PHE A 66 1.190 -1.880 4.021 1.00 34.40 H new ATOM 0 HB3 PHE A 66 -0.541 -1.653 4.169 1.00 34.40 H new ATOM 0 HD1 PHE A 66 -1.468 0.730 3.715 1.00 61.44 H new ATOM 0 HD2 PHE A 66 2.449 -0.520 2.601 1.00 21.13 H new ATOM 0 HE1 PHE A 66 -1.364 2.533 2.057 1.00 34.41 H new ATOM 0 HE2 PHE A 66 2.548 1.278 0.937 1.00 11.34 H new ATOM 0 HZ PHE A 66 0.637 2.798 0.658 1.00 55.35 H new ATOM 979 N THR A 67 2.998 -0.667 6.009 1.00 62.03 N ATOM 980 CA THR A 67 4.270 -0.004 6.165 1.00 64.12 C ATOM 981 C THR A 67 5.241 -0.488 5.093 1.00 60.34 C ATOM 982 O THR A 67 5.193 -1.643 4.656 1.00 11.31 O ATOM 983 CB THR A 67 4.841 -0.180 7.606 1.00 71.42 C ATOM 984 OG1 THR A 67 6.055 0.563 7.759 1.00 23.14 O ATOM 985 CG2 THR A 67 5.099 -1.640 7.955 1.00 51.40 C ATOM 0 H THR A 67 3.052 -1.682 5.923 1.00 62.03 H new ATOM 0 HA THR A 67 4.124 1.068 6.029 1.00 64.12 H new ATOM 0 HB THR A 67 4.083 0.200 8.290 1.00 71.42 H new ATOM 0 HG1 THR A 67 6.399 0.443 8.669 1.00 23.14 H new ATOM 0 HG21 THR A 67 5.496 -1.707 8.968 1.00 51.40 H new ATOM 0 HG22 THR A 67 4.166 -2.199 7.893 1.00 51.40 H new ATOM 0 HG23 THR A 67 5.821 -2.060 7.254 1.00 51.40 H new ATOM 993 N SER A 68 6.069 0.428 4.639 1.00 22.54 N ATOM 994 CA SER A 68 7.074 0.141 3.644 1.00 44.24 C ATOM 995 C SER A 68 8.456 0.368 4.238 1.00 34.25 C ATOM 996 O SER A 68 8.607 1.173 5.169 1.00 13.34 O ATOM 997 CB SER A 68 6.853 1.021 2.412 1.00 21.43 C ATOM 998 OG SER A 68 6.745 2.391 2.772 1.00 4.30 O ATOM 0 H SER A 68 6.062 1.398 4.953 1.00 22.54 H new ATOM 0 HA SER A 68 6.998 -0.901 3.334 1.00 44.24 H new ATOM 0 HB2 SER A 68 7.681 0.890 1.715 1.00 21.43 H new ATOM 0 HB3 SER A 68 5.947 0.706 1.894 1.00 21.43 H new ATOM 0 HG SER A 68 7.516 2.883 2.421 1.00 4.30 H new ATOM 1004 N ASP A 69 9.448 -0.357 3.719 1.00 63.30 N ATOM 1005 CA ASP A 69 10.832 -0.236 4.183 1.00 62.12 C ATOM 1006 C ASP A 69 11.391 1.136 3.839 1.00 73.54 C ATOM 1007 O ASP A 69 11.932 1.826 4.706 1.00 2.32 O ATOM 1008 CB ASP A 69 11.709 -1.336 3.573 1.00 55.24 C ATOM 1009 CG ASP A 69 13.144 -1.292 4.064 1.00 52.32 C ATOM 1010 OD1 ASP A 69 13.369 -1.513 5.267 1.00 20.13 O ATOM 1011 OD2 ASP A 69 14.050 -1.029 3.247 1.00 15.31 O ATOM 0 H ASP A 69 9.318 -1.039 2.972 1.00 63.30 H new ATOM 0 HA ASP A 69 10.838 -0.354 5.267 1.00 62.12 H new ATOM 0 HB2 ASP A 69 11.279 -2.309 3.811 1.00 55.24 H new ATOM 0 HB3 ASP A 69 11.699 -1.240 2.487 1.00 55.24 H new ATOM 1016 N ILE A 70 11.242 1.541 2.583 1.00 71.33 N ATOM 1017 CA ILE A 70 11.612 2.886 2.189 1.00 4.21 C ATOM 1018 C ILE A 70 10.373 3.692 1.814 1.00 54.30 C ATOM 1019 O ILE A 70 9.362 3.140 1.376 1.00 74.21 O ATOM 1020 CB ILE A 70 12.630 2.939 1.011 1.00 23.32 C ATOM 1021 CG1 ILE A 70 12.068 2.273 -0.257 1.00 64.14 C ATOM 1022 CG2 ILE A 70 13.958 2.299 1.409 1.00 1.44 C ATOM 1023 CD1 ILE A 70 12.736 2.741 -1.531 1.00 61.33 C ATOM 0 H ILE A 70 10.871 0.961 1.830 1.00 71.33 H new ATOM 0 HA ILE A 70 12.105 3.321 3.058 1.00 4.21 H new ATOM 0 HB ILE A 70 12.807 3.990 0.782 1.00 23.32 H new ATOM 0 HG12 ILE A 70 12.183 1.192 -0.172 1.00 64.14 H new ATOM 0 HG13 ILE A 70 10.999 2.476 -0.321 1.00 64.14 H new ATOM 0 HG21 ILE A 70 14.652 2.348 0.570 1.00 1.44 H new ATOM 0 HG22 ILE A 70 14.379 2.834 2.260 1.00 1.44 H new ATOM 0 HG23 ILE A 70 13.792 1.257 1.682 1.00 1.44 H new ATOM 0 HD11 ILE A 70 12.290 2.230 -2.384 1.00 61.33 H new ATOM 0 HD12 ILE A 70 12.599 3.817 -1.640 1.00 61.33 H new ATOM 0 HD13 ILE A 70 13.801 2.514 -1.488 1.00 61.33 H new ATOM 1035 N THR A 71 10.461 4.988 2.026 1.00 31.25 N ATOM 1036 CA THR A 71 9.474 5.938 1.525 1.00 64.21 C ATOM 1037 C THR A 71 10.183 6.929 0.607 1.00 42.32 C ATOM 1038 O THR A 71 9.553 7.723 -0.086 1.00 51.41 O ATOM 1039 CB THR A 71 8.760 6.705 2.658 1.00 11.40 C ATOM 1040 OG1 THR A 71 9.717 7.335 3.513 1.00 32.30 O ATOM 1041 CG2 THR A 71 7.868 5.786 3.477 1.00 61.31 C ATOM 0 H THR A 71 11.220 5.420 2.552 1.00 31.25 H new ATOM 0 HA THR A 71 8.708 5.379 0.988 1.00 64.21 H new ATOM 0 HB THR A 71 8.132 7.466 2.194 1.00 11.40 H new ATOM 0 HG1 THR A 71 9.250 7.819 4.226 1.00 32.30 H new ATOM 0 HG21 THR A 71 7.381 6.360 4.266 1.00 61.31 H new ATOM 0 HG22 THR A 71 7.111 5.343 2.830 1.00 61.31 H new ATOM 0 HG23 THR A 71 8.472 4.996 3.923 1.00 61.31 H new ATOM 1049 N GLU A 72 11.518 6.852 0.641 1.00 50.21 N ATOM 1050 CA GLU A 72 12.413 7.617 -0.203 1.00 74.00 C ATOM 1051 C GLU A 72 13.760 6.893 -0.218 1.00 52.54 C ATOM 1052 O GLU A 72 14.213 6.383 0.813 1.00 32.34 O ATOM 1053 CB GLU A 72 12.587 9.051 0.304 1.00 33.42 C ATOM 1054 CG GLU A 72 13.281 9.975 -0.696 1.00 21.24 C ATOM 1055 CD GLU A 72 13.486 11.365 -0.154 1.00 60.20 C ATOM 1056 OE1 GLU A 72 12.486 12.059 0.098 1.00 34.14 O ATOM 1057 OE2 GLU A 72 14.647 11.767 0.040 1.00 1.22 O ATOM 0 H GLU A 72 12.012 6.231 1.282 1.00 50.21 H new ATOM 0 HA GLU A 72 11.995 7.689 -1.207 1.00 74.00 H new ATOM 0 HB2 GLU A 72 11.607 9.463 0.547 1.00 33.42 H new ATOM 0 HB3 GLU A 72 13.163 9.033 1.229 1.00 33.42 H new ATOM 0 HG2 GLU A 72 14.247 9.549 -0.969 1.00 21.24 H new ATOM 0 HG3 GLU A 72 12.687 10.029 -1.608 1.00 21.24 H new ATOM 1064 N GLY A 73 14.358 6.821 -1.388 1.00 32.30 N ATOM 1065 CA GLY A 73 15.610 6.120 -1.576 1.00 71.03 C ATOM 1066 C GLY A 73 15.705 5.657 -3.000 1.00 14.15 C ATOM 1067 O GLY A 73 14.801 5.944 -3.773 1.00 73.32 O ATOM 0 H GLY A 73 13.989 7.248 -2.238 1.00 32.30 H new ATOM 0 HA2 GLY A 73 16.447 6.776 -1.337 1.00 71.03 H new ATOM 0 HA3 GLY A 73 15.669 5.268 -0.899 1.00 71.03 H new ATOM 1071 N PHE A 74 16.768 4.935 -3.360 1.00 63.43 N ATOM 1072 CA PHE A 74 16.951 4.488 -4.746 1.00 32.33 C ATOM 1073 C PHE A 74 15.947 3.374 -5.054 1.00 33.44 C ATOM 1074 O PHE A 74 15.575 2.621 -4.151 1.00 25.24 O ATOM 1075 CB PHE A 74 18.413 4.020 -5.009 1.00 54.35 C ATOM 1076 CG PHE A 74 18.779 2.652 -4.456 1.00 52.41 C ATOM 1077 CD1 PHE A 74 19.082 2.477 -3.112 1.00 3.13 C ATOM 1078 CD2 PHE A 74 18.809 1.540 -5.291 1.00 33.15 C ATOM 1079 CE1 PHE A 74 19.400 1.226 -2.618 1.00 63.44 C ATOM 1080 CE2 PHE A 74 19.129 0.291 -4.799 1.00 64.24 C ATOM 1081 CZ PHE A 74 19.424 0.134 -3.462 1.00 51.01 C ATOM 0 H PHE A 74 17.509 4.649 -2.720 1.00 63.43 H new ATOM 0 HA PHE A 74 16.767 5.330 -5.414 1.00 32.33 H new ATOM 0 HB2 PHE A 74 18.584 4.014 -6.085 1.00 54.35 H new ATOM 0 HB3 PHE A 74 19.093 4.757 -4.582 1.00 54.35 H new ATOM 0 HD1 PHE A 74 19.069 3.327 -2.446 1.00 3.13 H new ATOM 0 HD2 PHE A 74 18.578 1.656 -6.340 1.00 33.15 H new ATOM 0 HE1 PHE A 74 19.630 1.103 -1.570 1.00 63.44 H new ATOM 0 HE2 PHE A 74 19.148 -0.562 -5.461 1.00 64.24 H new ATOM 0 HZ PHE A 74 19.674 -0.843 -3.075 1.00 51.01 H new ATOM 1091 N ALA A 75 15.451 3.366 -6.294 1.00 24.42 N ATOM 1092 CA ALA A 75 14.614 2.289 -6.835 1.00 15.30 C ATOM 1093 C ALA A 75 15.293 0.917 -6.728 1.00 14.55 C ATOM 1094 O ALA A 75 16.284 0.654 -7.411 1.00 11.20 O ATOM 1095 CB ALA A 75 14.279 2.605 -8.289 1.00 74.15 C ATOM 0 H ALA A 75 15.622 4.118 -6.961 1.00 24.42 H new ATOM 0 HA ALA A 75 13.701 2.235 -6.242 1.00 15.30 H new ATOM 0 HB1 ALA A 75 13.657 1.810 -8.700 1.00 74.15 H new ATOM 0 HB2 ALA A 75 13.740 3.551 -8.341 1.00 74.15 H new ATOM 0 HB3 ALA A 75 15.200 2.680 -8.867 1.00 74.15 H new ATOM 1101 N PRO A 76 14.795 0.031 -5.835 1.00 24.43 N ATOM 1102 CA PRO A 76 15.376 -1.280 -5.604 1.00 73.45 C ATOM 1103 C PRO A 76 14.626 -2.405 -6.327 1.00 2.22 C ATOM 1104 O PRO A 76 13.735 -2.154 -7.144 1.00 65.53 O ATOM 1105 CB PRO A 76 15.237 -1.415 -4.079 1.00 3.12 C ATOM 1106 CG PRO A 76 14.128 -0.483 -3.676 1.00 12.34 C ATOM 1107 CD PRO A 76 13.663 0.231 -4.926 1.00 65.55 C ATOM 0 HA PRO A 76 16.396 -1.364 -5.980 1.00 73.45 H new ATOM 0 HB2 PRO A 76 15.004 -2.442 -3.799 1.00 3.12 H new ATOM 0 HB3 PRO A 76 16.169 -1.152 -3.578 1.00 3.12 H new ATOM 0 HG2 PRO A 76 13.306 -1.037 -3.222 1.00 12.34 H new ATOM 0 HG3 PRO A 76 14.479 0.233 -2.933 1.00 12.34 H new ATOM 0 HD2 PRO A 76 12.742 -0.198 -5.321 1.00 65.55 H new ATOM 0 HD3 PRO A 76 13.469 1.288 -4.743 1.00 65.55 H new ATOM 1115 N LEU A 77 14.980 -3.642 -6.011 1.00 23.22 N ATOM 1116 CA LEU A 77 14.335 -4.798 -6.609 1.00 74.21 C ATOM 1117 C LEU A 77 13.166 -5.248 -5.737 1.00 14.11 C ATOM 1118 O LEU A 77 12.080 -5.546 -6.230 1.00 11.43 O ATOM 1119 CB LEU A 77 15.363 -5.930 -6.815 1.00 12.23 C ATOM 1120 CG LEU A 77 14.918 -7.106 -7.698 1.00 73.35 C ATOM 1121 CD1 LEU A 77 16.072 -7.580 -8.563 1.00 22.35 C ATOM 1122 CD2 LEU A 77 14.409 -8.270 -6.854 1.00 4.42 C ATOM 0 H LEU A 77 15.714 -3.870 -5.340 1.00 23.22 H new ATOM 0 HA LEU A 77 13.938 -4.530 -7.588 1.00 74.21 H new ATOM 0 HB2 LEU A 77 16.264 -5.498 -7.250 1.00 12.23 H new ATOM 0 HB3 LEU A 77 15.639 -6.323 -5.836 1.00 12.23 H new ATOM 0 HG LEU A 77 14.104 -6.754 -8.332 1.00 73.35 H new ATOM 0 HD11 LEU A 77 15.743 -8.414 -9.184 1.00 22.35 H new ATOM 0 HD12 LEU A 77 16.408 -6.763 -9.201 1.00 22.35 H new ATOM 0 HD13 LEU A 77 16.895 -7.905 -7.926 1.00 22.35 H new ATOM 0 HD21 LEU A 77 14.102 -9.086 -7.508 1.00 4.42 H new ATOM 0 HD22 LEU A 77 15.204 -8.614 -6.192 1.00 4.42 H new ATOM 0 HD23 LEU A 77 13.557 -7.942 -6.258 1.00 4.42 H new ATOM 1134 N SER A 78 13.389 -5.284 -4.440 1.00 53.31 N ATOM 1135 CA SER A 78 12.373 -5.722 -3.517 1.00 23.33 C ATOM 1136 C SER A 78 12.271 -4.770 -2.331 1.00 3.20 C ATOM 1137 O SER A 78 13.231 -4.585 -1.577 1.00 34.20 O ATOM 1138 CB SER A 78 12.667 -7.153 -3.059 1.00 31.12 C ATOM 1139 OG SER A 78 13.990 -7.281 -2.558 1.00 0.13 O ATOM 0 H SER A 78 14.270 -5.013 -4.003 1.00 53.31 H new ATOM 0 HA SER A 78 11.408 -5.715 -4.024 1.00 23.33 H new ATOM 0 HB2 SER A 78 11.955 -7.441 -2.286 1.00 31.12 H new ATOM 0 HB3 SER A 78 12.526 -7.839 -3.894 1.00 31.12 H new ATOM 0 HG SER A 78 14.233 -6.470 -2.064 1.00 0.13 H new ATOM 1145 N VAL A 79 11.112 -4.134 -2.202 1.00 14.12 N ATOM 1146 CA VAL A 79 10.813 -3.301 -1.044 1.00 70.42 C ATOM 1147 C VAL A 79 9.967 -4.107 -0.076 1.00 24.14 C ATOM 1148 O VAL A 79 9.023 -4.782 -0.492 1.00 54.13 O ATOM 1149 CB VAL A 79 10.069 -1.983 -1.425 1.00 5.13 C ATOM 1150 CG1 VAL A 79 9.845 -1.077 -0.213 1.00 4.44 C ATOM 1151 CG2 VAL A 79 10.831 -1.228 -2.496 1.00 15.53 C ATOM 0 H VAL A 79 10.360 -4.180 -2.890 1.00 14.12 H new ATOM 0 HA VAL A 79 11.758 -3.007 -0.587 1.00 70.42 H new ATOM 0 HB VAL A 79 9.092 -2.271 -1.812 1.00 5.13 H new ATOM 0 HG11 VAL A 79 9.324 -0.172 -0.526 1.00 4.44 H new ATOM 0 HG12 VAL A 79 9.244 -1.603 0.529 1.00 4.44 H new ATOM 0 HG13 VAL A 79 10.807 -0.809 0.224 1.00 4.44 H new ATOM 0 HG21 VAL A 79 10.295 -0.313 -2.747 1.00 15.53 H new ATOM 0 HG22 VAL A 79 11.825 -0.977 -2.127 1.00 15.53 H new ATOM 0 HG23 VAL A 79 10.921 -1.851 -3.386 1.00 15.53 H new ATOM 1161 N ARG A 80 10.344 -4.063 1.195 1.00 13.21 N ATOM 1162 CA ARG A 80 9.605 -4.724 2.263 1.00 50.41 C ATOM 1163 C ARG A 80 8.230 -4.067 2.459 1.00 34.01 C ATOM 1164 O ARG A 80 8.115 -2.978 3.024 1.00 31.44 O ATOM 1165 CB ARG A 80 10.447 -4.670 3.543 1.00 64.51 C ATOM 1166 CG ARG A 80 9.830 -5.338 4.758 1.00 53.25 C ATOM 1167 CD ARG A 80 10.738 -5.199 5.976 1.00 61.11 C ATOM 1168 NE ARG A 80 12.015 -5.907 5.813 1.00 21.44 N ATOM 1169 CZ ARG A 80 13.191 -5.488 6.312 1.00 12.50 C ATOM 1170 NH1 ARG A 80 13.290 -4.311 6.924 1.00 53.12 N ATOM 1171 NH2 ARG A 80 14.276 -6.233 6.166 1.00 1.54 N ATOM 0 H ARG A 80 11.175 -3.566 1.516 1.00 13.21 H new ATOM 0 HA ARG A 80 9.421 -5.766 2.002 1.00 50.41 H new ATOM 0 HB2 ARG A 80 11.411 -5.138 3.343 1.00 64.51 H new ATOM 0 HB3 ARG A 80 10.643 -3.625 3.785 1.00 64.51 H new ATOM 0 HG2 ARG A 80 8.859 -4.890 4.970 1.00 53.25 H new ATOM 0 HG3 ARG A 80 9.655 -6.393 4.548 1.00 53.25 H new ATOM 0 HD2 ARG A 80 10.934 -4.143 6.160 1.00 61.11 H new ATOM 0 HD3 ARG A 80 10.222 -5.586 6.855 1.00 61.11 H new ATOM 0 HE ARG A 80 12.009 -6.779 5.283 1.00 21.44 H new ATOM 0 HH11 ARG A 80 12.468 -3.715 7.019 1.00 53.12 H new ATOM 0 HH12 ARG A 80 14.188 -4.005 7.298 1.00 53.12 H new ATOM 0 HH21 ARG A 80 14.220 -7.125 5.675 1.00 1.54 H new ATOM 0 HH22 ARG A 80 15.168 -5.915 6.545 1.00 1.54 H new ATOM 1185 N PHE A 81 7.204 -4.718 1.917 1.00 4.34 N ATOM 1186 CA PHE A 81 5.831 -4.269 2.084 1.00 32.02 C ATOM 1187 C PHE A 81 5.124 -5.166 3.075 1.00 73.13 C ATOM 1188 O PHE A 81 5.050 -6.383 2.883 1.00 42.14 O ATOM 1189 CB PHE A 81 5.060 -4.268 0.754 1.00 62.54 C ATOM 1190 CG PHE A 81 5.479 -3.195 -0.214 1.00 15.24 C ATOM 1191 CD1 PHE A 81 5.264 -1.855 0.076 1.00 32.05 C ATOM 1192 CD2 PHE A 81 6.083 -3.526 -1.416 1.00 11.23 C ATOM 1193 CE1 PHE A 81 5.644 -0.871 -0.813 1.00 71.40 C ATOM 1194 CE2 PHE A 81 6.464 -2.545 -2.310 1.00 14.22 C ATOM 1195 CZ PHE A 81 6.245 -1.216 -2.008 1.00 60.51 C ATOM 0 H PHE A 81 7.302 -5.564 1.355 1.00 4.34 H new ATOM 0 HA PHE A 81 5.859 -3.244 2.453 1.00 32.02 H new ATOM 0 HB2 PHE A 81 5.186 -5.239 0.276 1.00 62.54 H new ATOM 0 HB3 PHE A 81 3.997 -4.153 0.966 1.00 62.54 H new ATOM 0 HD1 PHE A 81 4.794 -1.579 1.008 1.00 32.05 H new ATOM 0 HD2 PHE A 81 6.258 -4.564 -1.657 1.00 11.23 H new ATOM 0 HE1 PHE A 81 5.472 0.168 -0.575 1.00 71.40 H new ATOM 0 HE2 PHE A 81 6.933 -2.817 -3.244 1.00 14.22 H new ATOM 0 HZ PHE A 81 6.543 -0.447 -2.705 1.00 60.51 H new ATOM 1205 N LYS A 82 4.599 -4.564 4.120 1.00 60.40 N ATOM 1206 CA LYS A 82 3.966 -5.311 5.187 1.00 53.13 C ATOM 1207 C LYS A 82 2.524 -4.868 5.375 1.00 75.05 C ATOM 1208 O LYS A 82 2.234 -3.672 5.462 1.00 12.03 O ATOM 1209 CB LYS A 82 4.759 -5.131 6.489 1.00 61.15 C ATOM 1210 CG LYS A 82 4.251 -5.948 7.665 1.00 62.22 C ATOM 1211 CD LYS A 82 4.390 -7.438 7.440 1.00 60.31 C ATOM 1212 CE LYS A 82 3.793 -8.202 8.593 1.00 64.54 C ATOM 1213 NZ LYS A 82 3.989 -9.656 8.441 1.00 13.25 N ATOM 0 H LYS A 82 4.598 -3.553 4.254 1.00 60.40 H new ATOM 0 HA LYS A 82 3.960 -6.367 4.918 1.00 53.13 H new ATOM 0 HB2 LYS A 82 5.800 -5.397 6.303 1.00 61.15 H new ATOM 0 HB3 LYS A 82 4.743 -4.076 6.764 1.00 61.15 H new ATOM 0 HG2 LYS A 82 4.801 -5.667 8.563 1.00 62.22 H new ATOM 0 HG3 LYS A 82 3.203 -5.707 7.845 1.00 62.22 H new ATOM 0 HD2 LYS A 82 3.892 -7.720 6.512 1.00 60.31 H new ATOM 0 HD3 LYS A 82 5.443 -7.699 7.329 1.00 60.31 H new ATOM 0 HE2 LYS A 82 4.248 -7.869 9.526 1.00 64.54 H new ATOM 0 HE3 LYS A 82 2.727 -7.983 8.662 1.00 64.54 H new ATOM 0 HZ1 LYS A 82 3.566 -10.150 9.252 1.00 13.25 H new ATOM 0 HZ2 LYS A 82 3.533 -9.978 7.563 1.00 13.25 H new ATOM 0 HZ3 LYS A 82 5.007 -9.867 8.400 1.00 13.25 H new ATOM 1227 N ASP A 83 1.641 -5.857 5.451 1.00 11.42 N ATOM 1228 CA ASP A 83 0.224 -5.644 5.715 1.00 52.13 C ATOM 1229 C ASP A 83 0.016 -5.402 7.201 1.00 73.20 C ATOM 1230 O ASP A 83 0.377 -6.239 8.037 1.00 50.23 O ATOM 1231 CB ASP A 83 -0.605 -6.863 5.297 1.00 73.23 C ATOM 1232 CG ASP A 83 -0.619 -7.142 3.804 1.00 11.22 C ATOM 1233 OD1 ASP A 83 0.353 -7.742 3.296 1.00 2.44 O ATOM 1234 OD2 ASP A 83 -1.632 -6.819 3.151 1.00 4.24 O ATOM 0 H ASP A 83 1.892 -6.838 5.330 1.00 11.42 H new ATOM 0 HA ASP A 83 -0.102 -4.780 5.136 1.00 52.13 H new ATOM 0 HB2 ASP A 83 -0.219 -7.742 5.813 1.00 73.23 H new ATOM 0 HB3 ASP A 83 -1.631 -6.720 5.635 1.00 73.23 H new ATOM 1239 N PHE A 84 -0.562 -4.257 7.516 1.00 74.42 N ATOM 1240 CA PHE A 84 -0.815 -3.859 8.898 1.00 44.51 C ATOM 1241 C PHE A 84 -2.312 -3.615 9.107 1.00 21.03 C ATOM 1242 O PHE A 84 -2.723 -3.070 10.132 1.00 50.22 O ATOM 1243 CB PHE A 84 -0.027 -2.582 9.219 1.00 43.40 C ATOM 1244 CG PHE A 84 1.239 -2.779 10.009 1.00 41.44 C ATOM 1245 CD1 PHE A 84 2.209 -3.680 9.611 1.00 74.14 C ATOM 1246 CD2 PHE A 84 1.458 -2.042 11.160 1.00 15.13 C ATOM 1247 CE1 PHE A 84 3.366 -3.845 10.344 1.00 74.23 C ATOM 1248 CE2 PHE A 84 2.612 -2.200 11.896 1.00 65.20 C ATOM 1249 CZ PHE A 84 3.568 -3.104 11.488 1.00 0.54 C ATOM 0 H PHE A 84 -0.871 -3.574 6.825 1.00 74.42 H new ATOM 0 HA PHE A 84 -0.492 -4.658 9.565 1.00 44.51 H new ATOM 0 HB2 PHE A 84 0.225 -2.087 8.281 1.00 43.40 H new ATOM 0 HB3 PHE A 84 -0.678 -1.905 9.772 1.00 43.40 H new ATOM 0 HD1 PHE A 84 2.059 -4.263 8.714 1.00 74.14 H new ATOM 0 HD2 PHE A 84 0.713 -1.332 11.486 1.00 15.13 H new ATOM 0 HE1 PHE A 84 4.113 -4.555 10.021 1.00 74.23 H new ATOM 0 HE2 PHE A 84 2.767 -1.616 12.791 1.00 65.20 H new ATOM 0 HZ PHE A 84 4.473 -3.232 12.063 1.00 0.54 H new ATOM 1259 N SER A 85 -3.100 -3.995 8.091 1.00 52.11 N ATOM 1260 CA SER A 85 -4.555 -3.822 8.063 1.00 31.21 C ATOM 1261 C SER A 85 -5.254 -4.502 9.239 1.00 51.12 C ATOM 1262 O SER A 85 -4.961 -5.655 9.574 1.00 40.44 O ATOM 1263 CB SER A 85 -5.088 -4.393 6.757 1.00 61.20 C ATOM 1264 OG SER A 85 -4.329 -3.919 5.662 1.00 45.21 O ATOM 0 H SER A 85 -2.734 -4.440 7.250 1.00 52.11 H new ATOM 0 HA SER A 85 -4.765 -2.755 8.142 1.00 31.21 H new ATOM 0 HB2 SER A 85 -5.052 -5.482 6.788 1.00 61.20 H new ATOM 0 HB3 SER A 85 -6.134 -4.112 6.631 1.00 61.20 H new ATOM 0 HG SER A 85 -4.576 -4.415 4.854 1.00 45.21 H new ATOM 1270 N GLU A 86 -6.177 -3.771 9.857 1.00 42.00 N ATOM 1271 CA GLU A 86 -6.889 -4.245 11.032 1.00 43.40 C ATOM 1272 C GLU A 86 -8.391 -4.186 10.768 1.00 51.13 C ATOM 1273 O GLU A 86 -8.843 -3.303 10.045 1.00 24.24 O ATOM 1274 CB GLU A 86 -6.528 -3.371 12.243 1.00 44.20 C ATOM 1275 CG GLU A 86 -5.994 -4.128 13.449 1.00 34.32 C ATOM 1276 CD GLU A 86 -7.015 -5.045 14.087 1.00 61.40 C ATOM 1277 OE1 GLU A 86 -7.194 -6.171 13.601 1.00 33.54 O ATOM 1278 OE2 GLU A 86 -7.633 -4.652 15.089 1.00 42.13 O ATOM 0 H GLU A 86 -6.450 -2.836 9.556 1.00 42.00 H new ATOM 0 HA GLU A 86 -6.603 -5.275 11.245 1.00 43.40 H new ATOM 0 HB2 GLU A 86 -5.782 -2.639 11.934 1.00 44.20 H new ATOM 0 HB3 GLU A 86 -7.414 -2.814 12.547 1.00 44.20 H new ATOM 0 HG2 GLU A 86 -5.129 -4.717 13.144 1.00 34.32 H new ATOM 0 HG3 GLU A 86 -5.646 -3.411 14.193 1.00 34.32 H new ATOM 1285 N ASN A 87 -9.134 -5.150 11.338 1.00 45.11 N ATOM 1286 CA ASN A 87 -10.623 -5.238 11.269 1.00 51.11 C ATOM 1287 C ASN A 87 -11.148 -5.361 9.827 1.00 33.34 C ATOM 1288 O ASN A 87 -12.269 -4.944 9.526 1.00 72.33 O ATOM 1289 CB ASN A 87 -11.299 -4.037 11.964 1.00 54.23 C ATOM 1290 CG ASN A 87 -10.959 -3.909 13.438 1.00 23.00 C ATOM 1291 OD1 ASN A 87 -11.569 -4.553 14.284 1.00 53.53 O ATOM 1292 ND2 ASN A 87 -10.010 -3.047 13.752 1.00 70.31 N ATOM 0 H ASN A 87 -8.718 -5.912 11.874 1.00 45.11 H new ATOM 0 HA ASN A 87 -10.887 -6.152 11.801 1.00 51.11 H new ATOM 0 HB2 ASN A 87 -11.005 -3.121 11.452 1.00 54.23 H new ATOM 0 HB3 ASN A 87 -12.380 -4.129 11.857 1.00 54.23 H new ATOM 0 HD21 ASN A 87 -9.760 -2.897 14.730 1.00 70.31 H new ATOM 0 HD22 ASN A 87 -9.526 -2.531 13.017 1.00 70.31 H new ATOM 1299 N ALA A 88 -10.352 -5.969 8.952 1.00 43.21 N ATOM 1300 CA ALA A 88 -10.664 -6.005 7.533 1.00 72.44 C ATOM 1301 C ALA A 88 -11.014 -7.407 7.070 1.00 11.42 C ATOM 1302 O ALA A 88 -10.388 -8.393 7.468 1.00 35.42 O ATOM 1303 CB ALA A 88 -9.503 -5.448 6.726 1.00 30.53 C ATOM 0 H ALA A 88 -9.485 -6.443 9.205 1.00 43.21 H new ATOM 0 HA ALA A 88 -11.542 -5.380 7.368 1.00 72.44 H new ATOM 0 HB1 ALA A 88 -9.749 -5.480 5.665 1.00 30.53 H new ATOM 0 HB2 ALA A 88 -9.315 -4.416 7.024 1.00 30.53 H new ATOM 0 HB3 ALA A 88 -8.611 -6.047 6.910 1.00 30.53 H new ATOM 1309 N THR A 89 -12.029 -7.471 6.226 1.00 52.21 N ATOM 1310 CA THR A 89 -12.489 -8.713 5.637 1.00 54.50 C ATOM 1311 C THR A 89 -11.747 -8.969 4.322 1.00 13.30 C ATOM 1312 O THR A 89 -11.234 -10.062 4.089 1.00 64.41 O ATOM 1313 CB THR A 89 -14.009 -8.654 5.361 1.00 44.43 C ATOM 1314 OG1 THR A 89 -14.683 -8.095 6.490 1.00 0.52 O ATOM 1315 CG2 THR A 89 -14.579 -10.037 5.073 1.00 71.33 C ATOM 0 H THR A 89 -12.561 -6.653 5.928 1.00 52.21 H new ATOM 0 HA THR A 89 -12.287 -9.522 6.339 1.00 54.50 H new ATOM 0 HB THR A 89 -14.164 -8.028 4.482 1.00 44.43 H new ATOM 0 HG1 THR A 89 -15.646 -8.058 6.311 1.00 0.52 H new ATOM 0 HG21 THR A 89 -15.649 -9.957 4.884 1.00 71.33 H new ATOM 0 HG22 THR A 89 -14.086 -10.459 4.197 1.00 71.33 H new ATOM 0 HG23 THR A 89 -14.410 -10.686 5.932 1.00 71.33 H new ATOM 1323 N SER A 90 -11.668 -7.935 3.488 1.00 32.13 N ATOM 1324 CA SER A 90 -11.056 -8.030 2.168 1.00 41.10 C ATOM 1325 C SER A 90 -9.958 -6.979 2.022 1.00 75.10 C ATOM 1326 O SER A 90 -9.998 -5.949 2.697 1.00 44.51 O ATOM 1327 CB SER A 90 -12.120 -7.811 1.086 1.00 3.44 C ATOM 1328 OG SER A 90 -13.204 -8.718 1.233 1.00 4.04 O ATOM 0 H SER A 90 -12.028 -7.007 3.710 1.00 32.13 H new ATOM 0 HA SER A 90 -10.619 -9.022 2.053 1.00 41.10 H new ATOM 0 HB2 SER A 90 -12.490 -6.787 1.140 1.00 3.44 H new ATOM 0 HB3 SER A 90 -11.670 -7.936 0.101 1.00 3.44 H new ATOM 0 HG SER A 90 -13.867 -8.553 0.530 1.00 4.04 H new ATOM 1334 N ARG A 91 -8.973 -7.249 1.162 1.00 14.04 N ATOM 1335 CA ARG A 91 -7.919 -6.279 0.875 1.00 13.22 C ATOM 1336 C ARG A 91 -7.623 -6.220 -0.624 1.00 23.43 C ATOM 1337 O ARG A 91 -7.832 -7.196 -1.353 1.00 53.14 O ATOM 1338 CB ARG A 91 -6.637 -6.594 1.675 1.00 62.14 C ATOM 1339 CG ARG A 91 -5.921 -7.880 1.271 1.00 42.04 C ATOM 1340 CD ARG A 91 -4.880 -8.285 2.300 1.00 12.12 C ATOM 1341 NE ARG A 91 -5.504 -8.657 3.573 1.00 43.21 N ATOM 1342 CZ ARG A 91 -4.879 -8.697 4.753 1.00 44.42 C ATOM 1343 NH1 ARG A 91 -3.612 -8.336 4.861 1.00 61.12 N ATOM 1344 NH2 ARG A 91 -5.544 -9.079 5.834 1.00 43.43 N ATOM 0 H ARG A 91 -8.885 -8.129 0.655 1.00 14.04 H new ATOM 0 HA ARG A 91 -8.277 -5.298 1.189 1.00 13.22 H new ATOM 0 HB2 ARG A 91 -5.944 -5.760 1.564 1.00 62.14 H new ATOM 0 HB3 ARG A 91 -6.893 -6.656 2.733 1.00 62.14 H new ATOM 0 HG2 ARG A 91 -6.650 -8.682 1.154 1.00 42.04 H new ATOM 0 HG3 ARG A 91 -5.441 -7.742 0.302 1.00 42.04 H new ATOM 0 HD2 ARG A 91 -4.297 -9.124 1.920 1.00 12.12 H new ATOM 0 HD3 ARG A 91 -4.185 -7.461 2.461 1.00 12.12 H new ATOM 0 HE ARG A 91 -6.493 -8.905 3.557 1.00 43.21 H new ATOM 0 HH11 ARG A 91 -3.099 -8.022 4.037 1.00 61.12 H new ATOM 0 HH12 ARG A 91 -3.147 -8.371 5.768 1.00 61.12 H new ATOM 0 HH21 ARG A 91 -6.527 -9.340 5.762 1.00 43.43 H new ATOM 0 HH22 ARG A 91 -5.072 -9.112 6.738 1.00 43.43 H new ATOM 1358 N LEU A 92 -7.155 -5.064 -1.072 1.00 25.10 N ATOM 1359 CA LEU A 92 -6.803 -4.851 -2.462 1.00 42.21 C ATOM 1360 C LEU A 92 -5.535 -4.008 -2.540 1.00 13.12 C ATOM 1361 O LEU A 92 -5.493 -2.874 -2.050 1.00 30.11 O ATOM 1362 CB LEU A 92 -7.965 -4.171 -3.208 1.00 1.22 C ATOM 1363 CG LEU A 92 -7.757 -3.918 -4.710 1.00 41.12 C ATOM 1364 CD1 LEU A 92 -7.619 -5.225 -5.472 1.00 53.21 C ATOM 1365 CD2 LEU A 92 -8.912 -3.106 -5.272 1.00 73.05 C ATOM 0 H LEU A 92 -7.010 -4.248 -0.478 1.00 25.10 H new ATOM 0 HA LEU A 92 -6.615 -5.812 -2.941 1.00 42.21 H new ATOM 0 HB2 LEU A 92 -8.856 -4.786 -3.085 1.00 1.22 H new ATOM 0 HB3 LEU A 92 -8.168 -3.215 -2.725 1.00 1.22 H new ATOM 0 HG LEU A 92 -6.832 -3.354 -4.831 1.00 41.12 H new ATOM 0 HD11 LEU A 92 -7.473 -5.015 -6.532 1.00 53.21 H new ATOM 0 HD12 LEU A 92 -6.762 -5.780 -5.091 1.00 53.21 H new ATOM 0 HD13 LEU A 92 -8.523 -5.820 -5.341 1.00 53.21 H new ATOM 0 HD21 LEU A 92 -8.752 -2.934 -6.336 1.00 73.05 H new ATOM 0 HD22 LEU A 92 -9.844 -3.652 -5.129 1.00 73.05 H new ATOM 0 HD23 LEU A 92 -8.969 -2.148 -4.754 1.00 73.05 H new ATOM 1377 N TRP A 93 -4.498 -4.580 -3.137 1.00 43.14 N ATOM 1378 CA TRP A 93 -3.247 -3.875 -3.345 1.00 64.13 C ATOM 1379 C TRP A 93 -3.252 -3.192 -4.698 1.00 40.14 C ATOM 1380 O TRP A 93 -3.227 -3.850 -5.742 1.00 24.44 O ATOM 1381 CB TRP A 93 -2.057 -4.834 -3.274 1.00 14.00 C ATOM 1382 CG TRP A 93 -1.595 -5.170 -1.888 1.00 22.44 C ATOM 1383 CD1 TRP A 93 -1.703 -6.375 -1.249 1.00 65.13 C ATOM 1384 CD2 TRP A 93 -0.927 -4.288 -0.972 1.00 31.44 C ATOM 1385 NE1 TRP A 93 -1.127 -6.298 -0.002 1.00 25.45 N ATOM 1386 CE2 TRP A 93 -0.649 -5.028 0.192 1.00 10.32 C ATOM 1387 CE3 TRP A 93 -0.533 -2.946 -1.026 1.00 61.40 C ATOM 1388 CZ2 TRP A 93 0.003 -4.472 1.289 1.00 72.23 C ATOM 1389 CZ3 TRP A 93 0.114 -2.401 0.065 1.00 10.33 C ATOM 1390 CH2 TRP A 93 0.377 -3.164 1.206 1.00 73.40 C ATOM 0 H TRP A 93 -4.502 -5.538 -3.487 1.00 43.14 H new ATOM 0 HA TRP A 93 -3.148 -3.131 -2.555 1.00 64.13 H new ATOM 0 HB2 TRP A 93 -2.324 -5.759 -3.786 1.00 14.00 H new ATOM 0 HB3 TRP A 93 -1.223 -4.395 -3.822 1.00 14.00 H new ATOM 0 HD1 TRP A 93 -2.171 -7.256 -1.662 1.00 65.13 H new ATOM 0 HE1 TRP A 93 -1.066 -7.063 0.670 1.00 25.45 H new ATOM 0 HE3 TRP A 93 -0.731 -2.349 -1.904 1.00 61.40 H new ATOM 0 HZ2 TRP A 93 0.205 -5.056 2.174 1.00 72.23 H new ATOM 0 HZ3 TRP A 93 0.422 -1.366 0.036 1.00 10.33 H new ATOM 0 HH2 TRP A 93 0.888 -2.707 2.041 1.00 73.40 H new ATOM 1401 N MET A 94 -3.281 -1.871 -4.667 1.00 24.44 N ATOM 1402 CA MET A 94 -3.299 -1.062 -5.875 1.00 1.35 C ATOM 1403 C MET A 94 -1.978 -0.326 -6.020 1.00 61.33 C ATOM 1404 O MET A 94 -1.772 0.743 -5.442 1.00 43.43 O ATOM 1405 CB MET A 94 -4.474 -0.072 -5.860 1.00 13.31 C ATOM 1406 CG MET A 94 -5.840 -0.744 -5.830 1.00 15.51 C ATOM 1407 SD MET A 94 -7.213 0.424 -5.903 1.00 45.52 S ATOM 1408 CE MET A 94 -7.014 1.105 -7.549 1.00 53.41 C ATOM 0 H MET A 94 -3.293 -1.328 -3.804 1.00 24.44 H new ATOM 0 HA MET A 94 -3.434 -1.721 -6.733 1.00 1.35 H new ATOM 0 HB2 MET A 94 -4.379 0.578 -4.990 1.00 13.31 H new ATOM 0 HB3 MET A 94 -4.412 0.566 -6.742 1.00 13.31 H new ATOM 0 HG2 MET A 94 -5.915 -1.435 -6.669 1.00 15.51 H new ATOM 0 HG3 MET A 94 -5.925 -1.337 -4.920 1.00 15.51 H new ATOM 0 HE1 MET A 94 -7.930 1.616 -7.844 1.00 53.41 H new ATOM 0 HE2 MET A 94 -6.186 1.814 -7.552 1.00 53.41 H new ATOM 0 HE3 MET A 94 -6.805 0.300 -8.253 1.00 53.41 H new ATOM 1418 N PHE A 95 -1.068 -0.935 -6.769 1.00 24.41 N ATOM 1419 CA PHE A 95 0.267 -0.380 -6.978 1.00 71.24 C ATOM 1420 C PHE A 95 0.274 0.655 -8.101 1.00 44.45 C ATOM 1421 O PHE A 95 1.076 1.588 -8.086 1.00 4.52 O ATOM 1422 CB PHE A 95 1.273 -1.497 -7.301 1.00 12.24 C ATOM 1423 CG PHE A 95 1.479 -2.484 -6.185 1.00 64.54 C ATOM 1424 CD1 PHE A 95 2.242 -2.145 -5.077 1.00 4.44 C ATOM 1425 CD2 PHE A 95 0.912 -3.746 -6.243 1.00 62.01 C ATOM 1426 CE1 PHE A 95 2.433 -3.047 -4.048 1.00 44.52 C ATOM 1427 CE2 PHE A 95 1.100 -4.650 -5.218 1.00 31.33 C ATOM 1428 CZ PHE A 95 1.862 -4.300 -4.120 1.00 30.41 C ATOM 0 H PHE A 95 -1.231 -1.821 -7.247 1.00 24.41 H new ATOM 0 HA PHE A 95 0.561 0.115 -6.052 1.00 71.24 H new ATOM 0 HB2 PHE A 95 0.931 -2.033 -8.186 1.00 12.24 H new ATOM 0 HB3 PHE A 95 2.232 -1.045 -7.553 1.00 12.24 H new ATOM 0 HD1 PHE A 95 2.692 -1.165 -5.018 1.00 4.44 H new ATOM 0 HD2 PHE A 95 0.316 -4.025 -7.100 1.00 62.01 H new ATOM 0 HE1 PHE A 95 3.028 -2.771 -3.190 1.00 44.52 H new ATOM 0 HE2 PHE A 95 0.652 -5.631 -5.274 1.00 31.33 H new ATOM 0 HZ PHE A 95 2.010 -5.008 -3.318 1.00 30.41 H new ATOM 1438 N GLY A 96 -0.625 0.474 -9.074 1.00 3.11 N ATOM 1439 CA GLY A 96 -0.676 1.341 -10.244 1.00 44.35 C ATOM 1440 C GLY A 96 0.009 0.724 -11.447 1.00 11.11 C ATOM 1441 O GLY A 96 -0.225 1.135 -12.580 1.00 53.54 O ATOM 0 H GLY A 96 -1.326 -0.267 -9.070 1.00 3.11 H new ATOM 0 HA2 GLY A 96 -1.716 1.554 -10.491 1.00 44.35 H new ATOM 0 HA3 GLY A 96 -0.203 2.294 -10.008 1.00 44.35 H new ATOM 1445 N ASP A 97 0.827 -0.286 -11.191 1.00 52.14 N ATOM 1446 CA ASP A 97 1.597 -0.954 -12.230 1.00 51.21 C ATOM 1447 C ASP A 97 1.300 -2.432 -12.217 1.00 64.23 C ATOM 1448 O ASP A 97 1.619 -3.126 -11.244 1.00 4.03 O ATOM 1449 CB ASP A 97 3.096 -0.750 -12.031 1.00 74.23 C ATOM 1450 CG ASP A 97 3.548 0.677 -12.220 1.00 15.23 C ATOM 1451 OD1 ASP A 97 3.345 1.231 -13.320 1.00 71.34 O ATOM 1452 OD2 ASP A 97 4.109 1.246 -11.268 1.00 52.40 O ATOM 0 H ASP A 97 0.976 -0.666 -10.256 1.00 52.14 H new ATOM 0 HA ASP A 97 1.309 -0.519 -13.187 1.00 51.21 H new ATOM 0 HB2 ASP A 97 3.367 -1.077 -11.027 1.00 74.23 H new ATOM 0 HB3 ASP A 97 3.636 -1.388 -12.731 1.00 74.23 H new ATOM 1457 N GLY A 98 0.667 -2.897 -13.286 1.00 73.43 N ATOM 1458 CA GLY A 98 0.325 -4.300 -13.413 1.00 53.24 C ATOM 1459 C GLY A 98 -1.028 -4.616 -12.805 1.00 31.22 C ATOM 1460 O GLY A 98 -1.849 -3.718 -12.602 1.00 4.50 O ATOM 0 H GLY A 98 0.381 -2.319 -14.076 1.00 73.43 H new ATOM 0 HA2 GLY A 98 0.322 -4.578 -14.467 1.00 53.24 H new ATOM 0 HA3 GLY A 98 1.090 -4.905 -12.926 1.00 53.24 H new ATOM 1464 N ASN A 99 -1.246 -5.893 -12.517 1.00 53.45 N ATOM 1465 CA ASN A 99 -2.501 -6.367 -11.930 1.00 40.22 C ATOM 1466 C ASN A 99 -2.577 -6.071 -10.425 1.00 30.21 C ATOM 1467 O ASN A 99 -1.555 -6.005 -9.733 1.00 21.32 O ATOM 1468 CB ASN A 99 -2.690 -7.871 -12.206 1.00 74.45 C ATOM 1469 CG ASN A 99 -1.579 -8.746 -11.645 1.00 33.25 C ATOM 1470 OD1 ASN A 99 -0.552 -8.950 -12.294 1.00 44.43 O ATOM 1471 ND2 ASN A 99 -1.802 -9.299 -10.468 1.00 4.11 N ATOM 0 H ASN A 99 -0.562 -6.631 -12.682 1.00 53.45 H new ATOM 0 HA ASN A 99 -3.315 -5.820 -12.406 1.00 40.22 H new ATOM 0 HB2 ASN A 99 -3.641 -8.192 -11.781 1.00 74.45 H new ATOM 0 HB3 ASN A 99 -2.753 -8.027 -13.283 1.00 74.45 H new ATOM 0 HD21 ASN A 99 -1.108 -9.925 -10.059 1.00 4.11 H new ATOM 0 HD22 ASN A 99 -2.668 -9.100 -9.967 1.00 4.11 H new ATOM 1478 N THR A 100 -3.801 -5.879 -9.946 1.00 60.50 N ATOM 1479 CA THR A 100 -4.069 -5.610 -8.538 1.00 44.33 C ATOM 1480 C THR A 100 -4.281 -6.899 -7.748 1.00 14.11 C ATOM 1481 O THR A 100 -4.980 -7.795 -8.211 1.00 31.44 O ATOM 1482 CB THR A 100 -5.312 -4.709 -8.385 1.00 24.14 C ATOM 1483 OG1 THR A 100 -6.322 -5.103 -9.326 1.00 71.31 O ATOM 1484 CG2 THR A 100 -4.964 -3.247 -8.600 1.00 43.35 C ATOM 0 H THR A 100 -4.639 -5.906 -10.526 1.00 60.50 H new ATOM 0 HA THR A 100 -3.194 -5.098 -8.137 1.00 44.33 H new ATOM 0 HB THR A 100 -5.688 -4.828 -7.369 1.00 24.14 H new ATOM 0 HG1 THR A 100 -7.109 -4.528 -9.222 1.00 71.31 H new ATOM 0 HG21 THR A 100 -5.861 -2.639 -8.485 1.00 43.35 H new ATOM 0 HG22 THR A 100 -4.220 -2.938 -7.866 1.00 43.35 H new ATOM 0 HG23 THR A 100 -4.561 -3.113 -9.604 1.00 43.35 H new ATOM 1602 N THR A 109 8.836 -4.777 -8.481 1.00 24.15 N ATOM 1603 CA THR A 109 10.190 -4.273 -8.581 1.00 52.21 C ATOM 1604 C THR A 109 10.162 -2.886 -9.220 1.00 11.14 C ATOM 1605 O THR A 109 9.527 -2.689 -10.259 1.00 14.13 O ATOM 1606 CB THR A 109 11.047 -5.242 -9.431 1.00 35.24 C ATOM 1607 OG1 THR A 109 11.025 -6.543 -8.831 1.00 12.04 O ATOM 1608 CG2 THR A 109 12.491 -4.778 -9.575 1.00 32.51 C ATOM 0 HA THR A 109 10.632 -4.200 -7.587 1.00 52.21 H new ATOM 0 HB THR A 109 10.613 -5.268 -10.431 1.00 35.24 H new ATOM 0 HG1 THR A 109 11.365 -6.486 -7.914 1.00 12.04 H new ATOM 0 HG21 THR A 109 13.045 -5.495 -10.180 1.00 32.51 H new ATOM 0 HG22 THR A 109 12.513 -3.802 -10.059 1.00 32.51 H new ATOM 0 HG23 THR A 109 12.950 -4.705 -8.589 1.00 32.51 H new ATOM 1616 N PHE A 110 10.807 -1.924 -8.577 1.00 54.52 N ATOM 1617 CA PHE A 110 10.892 -0.584 -9.124 1.00 12.42 C ATOM 1618 C PHE A 110 12.145 -0.482 -9.971 1.00 70.33 C ATOM 1619 O PHE A 110 13.245 -0.311 -9.456 1.00 2.40 O ATOM 1620 CB PHE A 110 10.880 0.471 -8.012 1.00 74.05 C ATOM 1621 CG PHE A 110 9.661 0.406 -7.129 1.00 13.12 C ATOM 1622 CD1 PHE A 110 8.386 0.443 -7.675 1.00 71.45 C ATOM 1623 CD2 PHE A 110 9.790 0.305 -5.757 1.00 13.10 C ATOM 1624 CE1 PHE A 110 7.269 0.380 -6.865 1.00 31.33 C ATOM 1625 CE2 PHE A 110 8.672 0.243 -4.945 1.00 21.11 C ATOM 1626 CZ PHE A 110 7.412 0.279 -5.500 1.00 11.35 C ATOM 0 H PHE A 110 11.276 -2.048 -7.680 1.00 54.52 H new ATOM 0 HA PHE A 110 10.020 -0.390 -9.748 1.00 12.42 H new ATOM 0 HB2 PHE A 110 11.771 0.347 -7.396 1.00 74.05 H new ATOM 0 HB3 PHE A 110 10.939 1.462 -8.463 1.00 74.05 H new ATOM 0 HD1 PHE A 110 8.266 0.522 -8.745 1.00 71.45 H new ATOM 0 HD2 PHE A 110 10.774 0.274 -5.314 1.00 13.10 H new ATOM 0 HE1 PHE A 110 6.282 0.410 -7.303 1.00 31.33 H new ATOM 0 HE2 PHE A 110 8.787 0.166 -3.874 1.00 21.11 H new ATOM 0 HZ PHE A 110 6.539 0.228 -4.866 1.00 11.35 H new ATOM 1636 N PHE A 111 11.956 -0.624 -11.277 1.00 74.24 N ATOM 1637 CA PHE A 111 13.055 -0.715 -12.239 1.00 62.34 C ATOM 1638 C PHE A 111 13.647 0.664 -12.522 1.00 44.13 C ATOM 1639 O PHE A 111 14.855 0.804 -12.702 1.00 74.11 O ATOM 1640 CB PHE A 111 12.568 -1.318 -13.575 1.00 61.34 C ATOM 1641 CG PHE A 111 11.670 -2.523 -13.452 1.00 74.22 C ATOM 1642 CD1 PHE A 111 12.191 -3.778 -13.191 1.00 71.24 C ATOM 1643 CD2 PHE A 111 10.299 -2.393 -13.610 1.00 0.11 C ATOM 1644 CE1 PHE A 111 11.362 -4.877 -13.084 1.00 12.40 C ATOM 1645 CE2 PHE A 111 9.466 -3.487 -13.502 1.00 12.35 C ATOM 1646 CZ PHE A 111 9.998 -4.731 -13.238 1.00 2.21 C ATOM 0 H PHE A 111 11.032 -0.680 -11.704 1.00 74.24 H new ATOM 0 HA PHE A 111 13.816 -1.359 -11.799 1.00 62.34 H new ATOM 0 HB2 PHE A 111 12.037 -0.545 -14.130 1.00 61.34 H new ATOM 0 HB3 PHE A 111 13.440 -1.595 -14.168 1.00 61.34 H new ATOM 0 HD1 PHE A 111 13.257 -3.899 -13.070 1.00 71.24 H new ATOM 0 HD2 PHE A 111 9.877 -1.421 -13.821 1.00 0.11 H new ATOM 0 HE1 PHE A 111 11.781 -5.851 -12.880 1.00 12.40 H new ATOM 0 HE2 PHE A 111 8.399 -3.369 -13.624 1.00 12.35 H new ATOM 0 HZ PHE A 111 9.349 -5.590 -13.152 1.00 2.21 H new ATOM 1656 N ASN A 112 12.780 1.674 -12.532 1.00 4.14 N ATOM 1657 CA ASN A 112 13.156 3.021 -12.938 1.00 64.32 C ATOM 1658 C ASN A 112 12.977 3.994 -11.787 1.00 21.12 C ATOM 1659 O ASN A 112 12.297 3.689 -10.803 1.00 63.40 O ATOM 1660 CB ASN A 112 12.307 3.502 -14.140 1.00 21.24 C ATOM 1661 CG ASN A 112 12.392 2.588 -15.348 1.00 62.52 C ATOM 1662 OD1 ASN A 112 13.297 2.708 -16.169 1.00 74.43 O ATOM 1663 ND2 ASN A 112 11.421 1.697 -15.485 1.00 42.42 N ATOM 0 H ASN A 112 11.802 1.580 -12.260 1.00 4.14 H new ATOM 0 HA ASN A 112 14.205 2.991 -13.234 1.00 64.32 H new ATOM 0 HB2 ASN A 112 11.265 3.583 -13.829 1.00 21.24 H new ATOM 0 HB3 ASN A 112 12.633 4.502 -14.427 1.00 21.24 H new ATOM 0 HD21 ASN A 112 11.407 1.078 -16.296 1.00 42.42 H new ATOM 0 HD22 ASN A 112 10.687 1.630 -14.780 1.00 42.42 H new ATOM 1670 N GLU A 113 13.607 5.157 -11.919 1.00 30.43 N ATOM 1671 CA GLU A 113 13.382 6.289 -11.025 1.00 21.23 C ATOM 1672 C GLU A 113 12.001 6.877 -11.298 1.00 0.22 C ATOM 1673 O GLU A 113 11.626 7.073 -12.453 1.00 70.52 O ATOM 1674 CB GLU A 113 14.469 7.354 -11.241 1.00 0.44 C ATOM 1675 CG GLU A 113 14.273 8.632 -10.433 1.00 4.21 C ATOM 1676 CD GLU A 113 15.329 9.681 -10.709 1.00 71.50 C ATOM 1677 OE1 GLU A 113 15.416 10.145 -11.858 1.00 42.15 O ATOM 1678 OE2 GLU A 113 16.054 10.076 -9.769 1.00 14.25 O ATOM 0 H GLU A 113 14.291 5.342 -12.652 1.00 30.43 H new ATOM 0 HA GLU A 113 13.431 5.952 -9.989 1.00 21.23 H new ATOM 0 HB2 GLU A 113 15.437 6.923 -10.986 1.00 0.44 H new ATOM 0 HB3 GLU A 113 14.503 7.610 -12.300 1.00 0.44 H new ATOM 0 HG2 GLU A 113 13.290 9.048 -10.656 1.00 4.21 H new ATOM 0 HG3 GLU A 113 14.282 8.387 -9.371 1.00 4.21 H new ATOM 1685 N GLY A 114 11.255 7.131 -10.243 1.00 31.24 N ATOM 1686 CA GLY A 114 9.928 7.672 -10.384 1.00 73.42 C ATOM 1687 C GLY A 114 9.270 7.851 -9.044 1.00 33.42 C ATOM 1688 O GLY A 114 9.922 7.713 -8.015 1.00 64.13 O ATOM 0 H GLY A 114 11.549 6.970 -9.280 1.00 31.24 H new ATOM 0 HA2 GLY A 114 9.976 8.631 -10.900 1.00 73.42 H new ATOM 0 HA3 GLY A 114 9.325 7.007 -11.003 1.00 73.42 H new ATOM 1692 N GLU A 115 7.992 8.158 -9.038 1.00 21.44 N ATOM 1693 CA GLU A 115 7.263 8.282 -7.792 1.00 10.13 C ATOM 1694 C GLU A 115 6.066 7.353 -7.826 1.00 61.14 C ATOM 1695 O GLU A 115 5.178 7.487 -8.667 1.00 40.13 O ATOM 1696 CB GLU A 115 6.846 9.727 -7.555 1.00 33.43 C ATOM 1697 CG GLU A 115 6.373 9.998 -6.136 1.00 10.11 C ATOM 1698 CD GLU A 115 6.063 11.455 -5.893 1.00 15.04 C ATOM 1699 OE1 GLU A 115 4.921 11.869 -6.146 1.00 52.55 O ATOM 1700 OE2 GLU A 115 6.957 12.193 -5.439 1.00 10.54 O ATOM 0 H GLU A 115 7.437 8.326 -9.877 1.00 21.44 H new ATOM 0 HA GLU A 115 7.905 7.995 -6.959 1.00 10.13 H new ATOM 0 HB2 GLU A 115 7.688 10.381 -7.780 1.00 33.43 H new ATOM 0 HB3 GLU A 115 6.048 9.985 -8.251 1.00 33.43 H new ATOM 0 HG2 GLU A 115 5.482 9.403 -5.935 1.00 10.11 H new ATOM 0 HG3 GLU A 115 7.140 9.672 -5.433 1.00 10.11 H new ATOM 1707 N TYR A 116 6.078 6.385 -6.930 1.00 63.04 N ATOM 1708 CA TYR A 116 5.114 5.298 -6.937 1.00 22.41 C ATOM 1709 C TYR A 116 4.287 5.347 -5.668 1.00 0.50 C ATOM 1710 O TYR A 116 4.766 4.996 -4.593 1.00 20.02 O ATOM 1711 CB TYR A 116 5.832 3.937 -7.022 1.00 31.34 C ATOM 1712 CG TYR A 116 6.808 3.803 -8.175 1.00 54.41 C ATOM 1713 CD1 TYR A 116 8.145 4.163 -8.026 1.00 64.44 C ATOM 1714 CD2 TYR A 116 6.399 3.317 -9.407 1.00 44.32 C ATOM 1715 CE1 TYR A 116 9.035 4.047 -9.072 1.00 10.32 C ATOM 1716 CE2 TYR A 116 7.286 3.198 -10.457 1.00 3.33 C ATOM 1717 CZ TYR A 116 8.600 3.565 -10.284 1.00 74.05 C ATOM 1718 OH TYR A 116 9.475 3.463 -11.331 1.00 41.04 O ATOM 0 H TYR A 116 6.759 6.329 -6.173 1.00 63.04 H new ATOM 0 HA TYR A 116 4.468 5.412 -7.808 1.00 22.41 H new ATOM 0 HB2 TYR A 116 6.369 3.766 -6.089 1.00 31.34 H new ATOM 0 HB3 TYR A 116 5.082 3.151 -7.107 1.00 31.34 H new ATOM 0 HD1 TYR A 116 8.490 4.540 -7.075 1.00 64.44 H new ATOM 0 HD2 TYR A 116 5.368 3.027 -9.547 1.00 44.32 H new ATOM 0 HE1 TYR A 116 10.068 4.333 -8.940 1.00 10.32 H new ATOM 0 HE2 TYR A 116 6.950 2.818 -11.411 1.00 3.33 H new ATOM 0 HH TYR A 116 10.393 3.556 -11.000 1.00 41.04 H new ATOM 1728 N ILE A 117 3.062 5.820 -5.784 1.00 35.12 N ATOM 1729 CA ILE A 117 2.172 5.882 -4.640 1.00 42.15 C ATOM 1730 C ILE A 117 1.431 4.560 -4.515 1.00 11.22 C ATOM 1731 O ILE A 117 0.603 4.203 -5.354 1.00 42.52 O ATOM 1732 CB ILE A 117 1.182 7.074 -4.704 1.00 71.34 C ATOM 1733 CG1 ILE A 117 1.957 8.392 -4.880 1.00 23.02 C ATOM 1734 CG2 ILE A 117 0.337 7.121 -3.427 1.00 34.22 C ATOM 1735 CD1 ILE A 117 1.079 9.611 -5.069 1.00 32.04 C ATOM 0 H ILE A 117 2.660 6.166 -6.655 1.00 35.12 H new ATOM 0 HA ILE A 117 2.780 6.052 -3.752 1.00 42.15 H new ATOM 0 HB ILE A 117 0.519 6.941 -5.559 1.00 71.34 H new ATOM 0 HG12 ILE A 117 2.590 8.547 -4.006 1.00 23.02 H new ATOM 0 HG13 ILE A 117 2.619 8.298 -5.741 1.00 23.02 H new ATOM 0 HG21 ILE A 117 -0.356 7.961 -3.480 1.00 34.22 H new ATOM 0 HG22 ILE A 117 -0.225 6.192 -3.328 1.00 34.22 H new ATOM 0 HG23 ILE A 117 0.990 7.243 -2.563 1.00 34.22 H new ATOM 0 HD11 ILE A 117 1.705 10.496 -5.185 1.00 32.04 H new ATOM 0 HD12 ILE A 117 0.464 9.482 -5.960 1.00 32.04 H new ATOM 0 HD13 ILE A 117 0.435 9.734 -4.198 1.00 32.04 H new ATOM 1747 N VAL A 118 1.791 3.824 -3.483 1.00 54.52 N ATOM 1748 CA VAL A 118 1.196 2.537 -3.190 1.00 10.34 C ATOM 1749 C VAL A 118 -0.092 2.751 -2.401 1.00 3.04 C ATOM 1750 O VAL A 118 -0.097 3.465 -1.401 1.00 52.25 O ATOM 1751 CB VAL A 118 2.197 1.648 -2.391 1.00 72.30 C ATOM 1752 CG1 VAL A 118 1.587 0.314 -1.997 1.00 74.42 C ATOM 1753 CG2 VAL A 118 3.470 1.419 -3.196 1.00 51.22 C ATOM 0 H VAL A 118 2.512 4.106 -2.818 1.00 54.52 H new ATOM 0 HA VAL A 118 0.961 2.021 -4.121 1.00 10.34 H new ATOM 0 HB VAL A 118 2.441 2.186 -1.475 1.00 72.30 H new ATOM 0 HG11 VAL A 118 2.320 -0.272 -1.443 1.00 74.42 H new ATOM 0 HG12 VAL A 118 0.711 0.485 -1.371 1.00 74.42 H new ATOM 0 HG13 VAL A 118 1.291 -0.230 -2.894 1.00 74.42 H new ATOM 0 HG21 VAL A 118 4.156 0.797 -2.622 1.00 51.22 H new ATOM 0 HG22 VAL A 118 3.223 0.919 -4.132 1.00 51.22 H new ATOM 0 HG23 VAL A 118 3.942 2.378 -3.410 1.00 51.22 H new ATOM 1763 N SER A 119 -1.182 2.168 -2.866 1.00 70.14 N ATOM 1764 CA SER A 119 -2.448 2.304 -2.186 1.00 63.31 C ATOM 1765 C SER A 119 -2.918 0.947 -1.683 1.00 23.13 C ATOM 1766 O SER A 119 -2.855 -0.056 -2.396 1.00 52.51 O ATOM 1767 CB SER A 119 -3.500 2.922 -3.107 1.00 63.24 C ATOM 1768 OG SER A 119 -4.669 3.280 -2.391 1.00 65.21 O ATOM 0 H SER A 119 -1.212 1.597 -3.711 1.00 70.14 H new ATOM 0 HA SER A 119 -2.310 2.971 -1.335 1.00 63.31 H new ATOM 0 HB2 SER A 119 -3.086 3.805 -3.594 1.00 63.24 H new ATOM 0 HB3 SER A 119 -3.757 2.214 -3.895 1.00 63.24 H new ATOM 0 HG SER A 119 -4.555 4.173 -2.004 1.00 65.21 H new ATOM 1774 N LEU A 120 -3.371 0.937 -0.450 1.00 51.44 N ATOM 1775 CA LEU A 120 -3.997 -0.220 0.152 1.00 31.33 C ATOM 1776 C LEU A 120 -5.417 0.175 0.520 1.00 63.34 C ATOM 1777 O LEU A 120 -5.629 1.149 1.243 1.00 23.40 O ATOM 1778 CB LEU A 120 -3.161 -0.690 1.375 1.00 64.05 C ATOM 1779 CG LEU A 120 -3.581 -1.973 2.142 1.00 33.24 C ATOM 1780 CD1 LEU A 120 -4.655 -1.679 3.169 1.00 73.32 C ATOM 1781 CD2 LEU A 120 -4.024 -3.090 1.200 1.00 13.12 C ATOM 0 H LEU A 120 -3.315 1.743 0.172 1.00 51.44 H new ATOM 0 HA LEU A 120 -4.037 -1.067 -0.533 1.00 31.33 H new ATOM 0 HB2 LEU A 120 -2.136 -0.835 1.034 1.00 64.05 H new ATOM 0 HB3 LEU A 120 -3.145 0.129 2.094 1.00 64.05 H new ATOM 0 HG LEU A 120 -2.694 -2.325 2.669 1.00 33.24 H new ATOM 0 HD11 LEU A 120 -4.925 -2.599 3.687 1.00 73.32 H new ATOM 0 HD12 LEU A 120 -4.280 -0.953 3.890 1.00 73.32 H new ATOM 0 HD13 LEU A 120 -5.534 -1.272 2.670 1.00 73.32 H new ATOM 0 HD21 LEU A 120 -4.308 -3.966 1.783 1.00 13.12 H new ATOM 0 HD22 LEU A 120 -4.878 -2.753 0.612 1.00 13.12 H new ATOM 0 HD23 LEU A 120 -3.203 -3.349 0.532 1.00 13.12 H new ATOM 1793 N ILE A 121 -6.374 -0.570 0.010 1.00 23.34 N ATOM 1794 CA ILE A 121 -7.764 -0.365 0.361 1.00 30.40 C ATOM 1795 C ILE A 121 -8.323 -1.653 0.948 1.00 34.52 C ATOM 1796 O ILE A 121 -8.144 -2.736 0.397 1.00 64.33 O ATOM 1797 CB ILE A 121 -8.623 0.157 -0.843 1.00 42.12 C ATOM 1798 CG1 ILE A 121 -10.122 0.212 -0.471 1.00 5.14 C ATOM 1799 CG2 ILE A 121 -8.400 -0.669 -2.111 1.00 10.12 C ATOM 1800 CD1 ILE A 121 -11.014 0.876 -1.502 1.00 44.40 C ATOM 0 H ILE A 121 -6.214 -1.328 -0.653 1.00 23.34 H new ATOM 0 HA ILE A 121 -7.818 0.423 1.112 1.00 30.40 H new ATOM 0 HB ILE A 121 -8.288 1.171 -1.060 1.00 42.12 H new ATOM 0 HG12 ILE A 121 -10.478 -0.805 -0.306 1.00 5.14 H new ATOM 0 HG13 ILE A 121 -10.227 0.744 0.475 1.00 5.14 H new ATOM 0 HG21 ILE A 121 -9.015 -0.271 -2.918 1.00 10.12 H new ATOM 0 HG22 ILE A 121 -7.350 -0.619 -2.398 1.00 10.12 H new ATOM 0 HG23 ILE A 121 -8.676 -1.707 -1.923 1.00 10.12 H new ATOM 0 HD11 ILE A 121 -12.046 0.866 -1.151 1.00 44.40 H new ATOM 0 HD12 ILE A 121 -10.692 1.906 -1.652 1.00 44.40 H new ATOM 0 HD13 ILE A 121 -10.946 0.334 -2.445 1.00 44.40 H new ATOM 1812 N VAL A 122 -8.959 -1.530 2.096 1.00 1.42 N ATOM 1813 CA VAL A 122 -9.561 -2.673 2.761 1.00 13.13 C ATOM 1814 C VAL A 122 -11.056 -2.470 2.905 1.00 74.21 C ATOM 1815 O VAL A 122 -11.546 -1.339 2.880 1.00 71.21 O ATOM 1816 CB VAL A 122 -8.930 -2.977 4.143 1.00 32.25 C ATOM 1817 CG1 VAL A 122 -7.583 -3.662 3.979 1.00 10.11 C ATOM 1818 CG2 VAL A 122 -8.772 -1.715 4.970 1.00 64.15 C ATOM 0 H VAL A 122 -9.074 -0.646 2.591 1.00 1.42 H new ATOM 0 HA VAL A 122 -9.364 -3.539 2.129 1.00 13.13 H new ATOM 0 HB VAL A 122 -9.607 -3.648 4.671 1.00 32.25 H new ATOM 0 HG11 VAL A 122 -7.157 -3.867 4.961 1.00 10.11 H new ATOM 0 HG12 VAL A 122 -7.715 -4.599 3.438 1.00 10.11 H new ATOM 0 HG13 VAL A 122 -6.910 -3.012 3.420 1.00 10.11 H new ATOM 0 HG21 VAL A 122 -8.327 -1.964 5.933 1.00 64.15 H new ATOM 0 HG22 VAL A 122 -8.126 -1.013 4.443 1.00 64.15 H new ATOM 0 HG23 VAL A 122 -9.749 -1.260 5.129 1.00 64.15 H new ATOM 1828 N SER A 123 -11.779 -3.565 3.046 1.00 65.34 N ATOM 1829 CA SER A 123 -13.227 -3.531 3.068 1.00 13.25 C ATOM 1830 C SER A 123 -13.757 -4.436 4.162 1.00 61.13 C ATOM 1831 O SER A 123 -13.116 -5.415 4.527 1.00 21.31 O ATOM 1832 CB SER A 123 -13.784 -3.962 1.712 1.00 32.31 C ATOM 1833 OG SER A 123 -13.283 -3.133 0.679 1.00 4.35 O ATOM 0 H SER A 123 -11.380 -4.498 3.148 1.00 65.34 H new ATOM 0 HA SER A 123 -13.550 -2.510 3.272 1.00 13.25 H new ATOM 0 HB2 SER A 123 -13.514 -5.000 1.516 1.00 32.31 H new ATOM 0 HB3 SER A 123 -14.873 -3.913 1.728 1.00 32.31 H new ATOM 0 HG SER A 123 -13.649 -3.425 -0.182 1.00 4.35 H new ATOM 1839 N ASN A 124 -14.922 -4.082 4.667 1.00 14.13 N ATOM 1840 CA ASN A 124 -15.618 -4.818 5.717 1.00 54.01 C ATOM 1841 C ASN A 124 -17.116 -4.575 5.491 1.00 10.44 C ATOM 1842 O ASN A 124 -17.476 -3.786 4.607 1.00 61.33 O ATOM 1843 CB ASN A 124 -15.122 -4.322 7.103 1.00 62.33 C ATOM 1844 CG ASN A 124 -15.712 -5.017 8.327 1.00 62.52 C ATOM 1845 OD1 ASN A 124 -16.689 -4.546 8.904 1.00 53.23 O ATOM 1846 ND2 ASN A 124 -15.128 -6.134 8.722 1.00 22.41 N ATOM 0 H ASN A 124 -15.428 -3.254 4.354 1.00 14.13 H new ATOM 0 HA ASN A 124 -15.422 -5.890 5.689 1.00 54.01 H new ATOM 0 HB2 ASN A 124 -14.038 -4.433 7.137 1.00 62.33 H new ATOM 0 HB3 ASN A 124 -15.336 -3.256 7.180 1.00 62.33 H new ATOM 0 HD21 ASN A 124 -15.487 -6.638 9.533 1.00 22.41 H new ATOM 0 HD22 ASN A 124 -14.318 -6.493 8.216 1.00 22.41 H new ATOM 1853 N GLU A 125 -17.987 -5.221 6.266 1.00 55.32 N ATOM 1854 CA GLU A 125 -19.438 -5.079 6.101 1.00 54.31 C ATOM 1855 C GLU A 125 -19.956 -3.778 6.744 1.00 34.24 C ATOM 1856 O GLU A 125 -21.095 -3.372 6.504 1.00 5.35 O ATOM 1857 CB GLU A 125 -20.154 -6.298 6.702 1.00 72.33 C ATOM 1858 CG GLU A 125 -19.846 -6.536 8.177 1.00 52.44 C ATOM 1859 CD GLU A 125 -20.443 -7.821 8.699 1.00 45.25 C ATOM 1860 OE1 GLU A 125 -21.631 -7.830 9.061 1.00 3.31 O ATOM 1861 OE2 GLU A 125 -19.724 -8.831 8.746 1.00 74.44 O ATOM 0 H GLU A 125 -17.713 -5.852 7.019 1.00 55.32 H new ATOM 0 HA GLU A 125 -19.654 -5.026 5.034 1.00 54.31 H new ATOM 0 HB2 GLU A 125 -21.230 -6.169 6.583 1.00 72.33 H new ATOM 0 HB3 GLU A 125 -19.874 -7.186 6.135 1.00 72.33 H new ATOM 0 HG2 GLU A 125 -18.766 -6.559 8.319 1.00 52.44 H new ATOM 0 HG3 GLU A 125 -20.227 -5.699 8.763 1.00 52.44 H new ATOM 1868 N ASN A 126 -19.111 -3.141 7.559 1.00 21.44 N ATOM 1869 CA ASN A 126 -19.450 -1.887 8.214 1.00 44.42 C ATOM 1870 C ASN A 126 -19.024 -0.704 7.337 1.00 33.30 C ATOM 1871 O ASN A 126 -19.859 0.095 6.902 1.00 41.05 O ATOM 1872 CB ASN A 126 -18.751 -1.820 9.585 1.00 23.14 C ATOM 1873 CG ASN A 126 -19.284 -0.723 10.482 1.00 33.35 C ATOM 1874 OD1 ASN A 126 -20.457 -0.355 10.420 1.00 1.34 O ATOM 1875 ND2 ASN A 126 -18.426 -0.208 11.340 1.00 13.12 N ATOM 0 H ASN A 126 -18.176 -3.484 7.779 1.00 21.44 H new ATOM 0 HA ASN A 126 -20.529 -1.835 8.362 1.00 44.42 H new ATOM 0 HB2 ASN A 126 -18.866 -2.779 10.090 1.00 23.14 H new ATOM 0 HB3 ASN A 126 -17.683 -1.666 9.432 1.00 23.14 H new ATOM 0 HD21 ASN A 126 -18.726 0.523 11.985 1.00 13.12 H new ATOM 0 HD22 ASN A 126 -17.462 -0.541 11.359 1.00 13.12 H new ATOM 1882 N ASP A 127 -17.727 -0.628 7.053 1.00 12.52 N ATOM 1883 CA ASP A 127 -17.153 0.452 6.243 1.00 72.55 C ATOM 1884 C ASP A 127 -16.048 -0.090 5.347 1.00 13.23 C ATOM 1885 O ASP A 127 -15.698 -1.264 5.431 1.00 22.11 O ATOM 1886 CB ASP A 127 -16.556 1.570 7.122 1.00 10.24 C ATOM 1887 CG ASP A 127 -17.583 2.445 7.812 1.00 62.21 C ATOM 1888 OD1 ASP A 127 -18.016 2.104 8.928 1.00 31.11 O ATOM 1889 OD2 ASP A 127 -17.939 3.497 7.248 1.00 10.43 O ATOM 0 H ASP A 127 -17.041 -1.311 7.376 1.00 12.52 H new ATOM 0 HA ASP A 127 -17.964 0.865 5.643 1.00 72.55 H new ATOM 0 HB2 ASP A 127 -15.916 1.117 7.879 1.00 10.24 H new ATOM 0 HB3 ASP A 127 -15.918 2.200 6.502 1.00 10.24 H new ATOM 1894 N SER A 128 -15.508 0.768 4.490 1.00 11.25 N ATOM 1895 CA SER A 128 -14.303 0.463 3.729 1.00 3.41 C ATOM 1896 C SER A 128 -13.485 1.738 3.563 1.00 55.32 C ATOM 1897 O SER A 128 -14.045 2.804 3.274 1.00 70.01 O ATOM 1898 CB SER A 128 -14.654 -0.153 2.365 1.00 32.34 C ATOM 1899 OG SER A 128 -15.664 0.586 1.703 1.00 14.32 O ATOM 0 H SER A 128 -15.893 1.694 4.303 1.00 11.25 H new ATOM 0 HA SER A 128 -13.711 -0.274 4.271 1.00 3.41 H new ATOM 0 HB2 SER A 128 -13.761 -0.189 1.741 1.00 32.34 H new ATOM 0 HB3 SER A 128 -14.987 -1.181 2.505 1.00 32.34 H new ATOM 0 HG SER A 128 -15.862 0.168 0.839 1.00 14.32 H new ATOM 1905 N ASP A 129 -12.178 1.642 3.776 1.00 40.41 N ATOM 1906 CA ASP A 129 -11.307 2.812 3.725 1.00 33.54 C ATOM 1907 C ASP A 129 -10.006 2.495 2.991 1.00 72.22 C ATOM 1908 O ASP A 129 -9.620 1.331 2.859 1.00 5.24 O ATOM 1909 CB ASP A 129 -11.030 3.356 5.141 1.00 50.21 C ATOM 1910 CG ASP A 129 -10.072 2.521 5.968 1.00 53.33 C ATOM 1911 OD1 ASP A 129 -10.377 1.348 6.249 1.00 31.52 O ATOM 1912 OD2 ASP A 129 -9.019 3.060 6.362 1.00 12.21 O ATOM 0 H ASP A 129 -11.697 0.767 3.986 1.00 40.41 H new ATOM 0 HA ASP A 129 -11.823 3.591 3.164 1.00 33.54 H new ATOM 0 HB2 ASP A 129 -10.628 4.366 5.055 1.00 50.21 H new ATOM 0 HB3 ASP A 129 -11.976 3.434 5.676 1.00 50.21 H new ATOM 1917 N SER A 130 -9.348 3.542 2.508 1.00 73.02 N ATOM 1918 CA SER A 130 -8.115 3.399 1.747 1.00 62.50 C ATOM 1919 C SER A 130 -7.055 4.391 2.220 1.00 32.31 C ATOM 1920 O SER A 130 -7.377 5.513 2.611 1.00 3.22 O ATOM 1921 CB SER A 130 -8.395 3.599 0.251 1.00 63.43 C ATOM 1922 OG SER A 130 -9.152 4.777 0.016 1.00 12.40 O ATOM 0 H SER A 130 -9.652 4.508 2.632 1.00 73.02 H new ATOM 0 HA SER A 130 -7.731 2.392 1.910 1.00 62.50 H new ATOM 0 HB2 SER A 130 -7.452 3.657 -0.292 1.00 63.43 H new ATOM 0 HB3 SER A 130 -8.934 2.735 -0.138 1.00 63.43 H new ATOM 0 HG SER A 130 -9.312 4.877 -0.946 1.00 12.40 H new ATOM 1928 N ALA A 131 -5.799 3.969 2.178 1.00 14.01 N ATOM 1929 CA ALA A 131 -4.675 4.819 2.542 1.00 72.21 C ATOM 1930 C ALA A 131 -3.547 4.626 1.564 1.00 43.14 C ATOM 1931 O ALA A 131 -3.299 3.518 1.080 1.00 32.13 O ATOM 1932 CB ALA A 131 -4.203 4.541 3.963 1.00 75.05 C ATOM 0 H ALA A 131 -5.531 3.028 1.891 1.00 14.01 H new ATOM 0 HA ALA A 131 -5.008 5.856 2.503 1.00 72.21 H new ATOM 0 HB1 ALA A 131 -3.363 5.193 4.201 1.00 75.05 H new ATOM 0 HB2 ALA A 131 -5.019 4.730 4.661 1.00 75.05 H new ATOM 0 HB3 ALA A 131 -3.889 3.500 4.045 1.00 75.05 H new ATOM 1938 N SER A 132 -2.885 5.720 1.262 1.00 64.55 N ATOM 1939 CA SER A 132 -1.863 5.743 0.252 1.00 65.31 C ATOM 1940 C SER A 132 -0.562 6.287 0.827 1.00 75.33 C ATOM 1941 O SER A 132 -0.571 7.232 1.621 1.00 23.04 O ATOM 1942 CB SER A 132 -2.344 6.608 -0.907 1.00 44.04 C ATOM 1943 OG SER A 132 -3.567 6.125 -1.440 1.00 20.05 O ATOM 0 H SER A 132 -3.044 6.620 1.715 1.00 64.55 H new ATOM 0 HA SER A 132 -1.671 4.731 -0.104 1.00 65.31 H new ATOM 0 HB2 SER A 132 -2.474 7.635 -0.567 1.00 44.04 H new ATOM 0 HB3 SER A 132 -1.586 6.625 -1.690 1.00 44.04 H new ATOM 0 HG SER A 132 -3.851 6.701 -2.180 1.00 20.05 H new ATOM 1949 N VAL A 133 0.550 5.672 0.436 1.00 21.21 N ATOM 1950 CA VAL A 133 1.883 6.091 0.869 1.00 51.41 C ATOM 1951 C VAL A 133 2.736 6.377 -0.369 1.00 73.32 C ATOM 1952 O VAL A 133 2.833 5.544 -1.274 1.00 74.31 O ATOM 1953 CB VAL A 133 2.575 5.011 1.773 1.00 53.41 C ATOM 1954 CG1 VAL A 133 4.028 5.355 2.079 1.00 15.50 C ATOM 1955 CG2 VAL A 133 1.819 4.827 3.084 1.00 62.10 C ATOM 0 H VAL A 133 0.554 4.868 -0.191 1.00 21.21 H new ATOM 0 HA VAL A 133 1.783 6.992 1.474 1.00 51.41 H new ATOM 0 HB VAL A 133 2.556 4.081 1.205 1.00 53.41 H new ATOM 0 HG11 VAL A 133 4.462 4.577 2.707 1.00 15.50 H new ATOM 0 HG12 VAL A 133 4.590 5.424 1.147 1.00 15.50 H new ATOM 0 HG13 VAL A 133 4.073 6.310 2.602 1.00 15.50 H new ATOM 0 HG21 VAL A 133 2.321 4.073 3.691 1.00 62.10 H new ATOM 0 HG22 VAL A 133 1.796 5.772 3.626 1.00 62.10 H new ATOM 0 HG23 VAL A 133 0.799 4.504 2.874 1.00 62.10 H new ATOM 1965 N THR A 134 3.337 7.559 -0.396 1.00 71.43 N ATOM 1966 CA THR A 134 4.184 7.982 -1.494 1.00 54.55 C ATOM 1967 C THR A 134 5.587 7.387 -1.345 1.00 73.10 C ATOM 1968 O THR A 134 6.301 7.671 -0.376 1.00 54.12 O ATOM 1969 CB THR A 134 4.252 9.527 -1.540 1.00 63.41 C ATOM 1970 OG1 THR A 134 2.932 10.066 -1.694 1.00 53.03 O ATOM 1971 CG2 THR A 134 5.120 10.028 -2.679 1.00 40.24 C ATOM 0 H THR A 134 3.248 8.251 0.348 1.00 71.43 H new ATOM 0 HA THR A 134 3.757 7.621 -2.430 1.00 54.55 H new ATOM 0 HB THR A 134 4.696 9.858 -0.601 1.00 63.41 H new ATOM 0 HG1 THR A 134 2.979 11.044 -1.721 1.00 53.03 H new ATOM 0 HG21 THR A 134 5.137 11.118 -2.671 1.00 40.24 H new ATOM 0 HG22 THR A 134 6.134 9.648 -2.558 1.00 40.24 H new ATOM 0 HG23 THR A 134 4.713 9.679 -3.628 1.00 40.24 H new ATOM 1979 N ILE A 135 5.944 6.523 -2.285 1.00 73.42 N ATOM 1980 CA ILE A 135 7.276 5.933 -2.326 1.00 71.52 C ATOM 1981 C ILE A 135 8.087 6.672 -3.377 1.00 11.30 C ATOM 1982 O ILE A 135 7.756 6.643 -4.565 1.00 64.42 O ATOM 1983 CB ILE A 135 7.260 4.407 -2.668 1.00 14.41 C ATOM 1984 CG1 ILE A 135 6.213 3.638 -1.830 1.00 23.24 C ATOM 1985 CG2 ILE A 135 8.648 3.781 -2.488 1.00 54.50 C ATOM 1986 CD1 ILE A 135 6.389 3.740 -0.330 1.00 63.40 C ATOM 0 H ILE A 135 5.325 6.213 -3.034 1.00 73.42 H new ATOM 0 HA ILE A 135 7.715 6.028 -1.333 1.00 71.52 H new ATOM 0 HB ILE A 135 6.975 4.323 -3.717 1.00 14.41 H new ATOM 0 HG12 ILE A 135 5.221 4.007 -2.090 1.00 23.24 H new ATOM 0 HG13 ILE A 135 6.246 2.586 -2.113 1.00 23.24 H new ATOM 0 HG21 ILE A 135 8.603 2.720 -2.734 1.00 54.50 H new ATOM 0 HG22 ILE A 135 9.359 4.277 -3.149 1.00 54.50 H new ATOM 0 HG23 ILE A 135 8.970 3.901 -1.453 1.00 54.50 H new ATOM 0 HD11 ILE A 135 5.606 3.167 0.168 1.00 63.40 H new ATOM 0 HD12 ILE A 135 7.364 3.341 -0.050 1.00 63.40 H new ATOM 0 HD13 ILE A 135 6.323 4.785 -0.026 1.00 63.40 H new ATOM 1998 N ARG A 136 9.134 7.337 -2.943 1.00 62.11 N ATOM 1999 CA ARG A 136 9.963 8.116 -3.836 1.00 20.20 C ATOM 2000 C ARG A 136 11.183 7.306 -4.243 1.00 21.34 C ATOM 2001 O ARG A 136 11.971 6.889 -3.397 1.00 51.40 O ATOM 2002 CB ARG A 136 10.391 9.421 -3.168 1.00 54.23 C ATOM 2003 CG ARG A 136 9.247 10.395 -2.918 1.00 73.35 C ATOM 2004 CD ARG A 136 9.741 11.702 -2.317 1.00 52.33 C ATOM 2005 NE ARG A 136 10.766 12.332 -3.152 1.00 23.00 N ATOM 2006 CZ ARG A 136 11.292 13.544 -2.951 1.00 25.11 C ATOM 2007 NH1 ARG A 136 10.853 14.334 -1.972 1.00 22.54 N ATOM 2008 NH2 ARG A 136 12.256 13.964 -3.756 1.00 53.24 N ATOM 0 H ARG A 136 9.434 7.354 -1.968 1.00 62.11 H new ATOM 0 HA ARG A 136 9.386 8.362 -4.727 1.00 20.20 H new ATOM 0 HB2 ARG A 136 10.872 9.190 -2.217 1.00 54.23 H new ATOM 0 HB3 ARG A 136 11.139 9.908 -3.793 1.00 54.23 H new ATOM 0 HG2 ARG A 136 8.731 10.598 -3.856 1.00 73.35 H new ATOM 0 HG3 ARG A 136 8.520 9.938 -2.247 1.00 73.35 H new ATOM 0 HD2 ARG A 136 8.901 12.386 -2.195 1.00 52.33 H new ATOM 0 HD3 ARG A 136 10.147 11.514 -1.323 1.00 52.33 H new ATOM 0 HE ARG A 136 11.107 11.802 -3.954 1.00 23.00 H new ATOM 0 HH11 ARG A 136 10.102 14.017 -1.359 1.00 22.54 H new ATOM 0 HH12 ARG A 136 11.268 15.256 -1.836 1.00 22.54 H new ATOM 0 HH21 ARG A 136 12.585 13.365 -4.514 1.00 53.24 H new ATOM 0 HH22 ARG A 136 12.670 14.886 -3.618 1.00 53.24 H new ATOM 2022 N ALA A 137 11.315 7.078 -5.538 1.00 73.52 N ATOM 2023 CA ALA A 137 12.423 6.317 -6.076 1.00 45.11 C ATOM 2024 C ALA A 137 13.435 7.242 -6.722 1.00 3.00 C ATOM 2025 O ALA A 137 13.079 8.159 -7.462 1.00 45.41 O ATOM 2026 CB ALA A 137 11.938 5.286 -7.078 1.00 53.05 C ATOM 0 H ALA A 137 10.658 7.415 -6.242 1.00 73.52 H new ATOM 0 HA ALA A 137 12.904 5.791 -5.252 1.00 45.11 H new ATOM 0 HB1 ALA A 137 12.790 4.728 -7.467 1.00 53.05 H new ATOM 0 HB2 ALA A 137 11.248 4.599 -6.588 1.00 53.05 H new ATOM 0 HB3 ALA A 137 11.428 5.789 -7.900 1.00 53.05 H new ATOM 2032 N LEU A 138 14.689 6.995 -6.403 1.00 20.43 N ATOM 2033 CA LEU A 138 15.812 7.747 -6.923 1.00 73.54 C ATOM 2034 C LEU A 138 16.602 6.882 -7.895 1.00 53.23 C ATOM 2035 O LEU A 138 16.391 5.670 -7.972 1.00 64.45 O ATOM 2036 CB LEU A 138 16.712 8.201 -5.761 1.00 14.10 C ATOM 2037 CG LEU A 138 16.074 9.182 -4.768 1.00 73.32 C ATOM 2038 CD1 LEU A 138 16.938 9.324 -3.523 1.00 51.11 C ATOM 2039 CD2 LEU A 138 15.870 10.539 -5.422 1.00 22.45 C ATOM 0 H LEU A 138 14.961 6.250 -5.762 1.00 20.43 H new ATOM 0 HA LEU A 138 15.447 8.627 -7.452 1.00 73.54 H new ATOM 0 HB2 LEU A 138 17.038 7.318 -5.212 1.00 14.10 H new ATOM 0 HB3 LEU A 138 17.606 8.665 -6.178 1.00 14.10 H new ATOM 0 HG LEU A 138 15.103 8.785 -4.472 1.00 73.32 H new ATOM 0 HD11 LEU A 138 16.468 10.024 -2.832 1.00 51.11 H new ATOM 0 HD12 LEU A 138 17.043 8.352 -3.040 1.00 51.11 H new ATOM 0 HD13 LEU A 138 17.923 9.698 -3.804 1.00 51.11 H new ATOM 0 HD21 LEU A 138 15.417 11.224 -4.705 1.00 22.45 H new ATOM 0 HD22 LEU A 138 16.833 10.936 -5.744 1.00 22.45 H new ATOM 0 HD23 LEU A 138 15.214 10.432 -6.286 1.00 22.45 H new