USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 677 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 94 CYS SG : rot -111:sc= 0.545 USER MOD Set 1.2: A 101 CYS SG : rot -96:sc= 1.61 USER MOD Set 2.1: A 16 THR OG1 : rot -34:sc= 0.0317 USER MOD Set 2.2: A 86 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 61 HIS : no HD1:sc= -1 K(o=-0.66,f=-5.8!) USER MOD Set 3.2: A 63 THR OG1 : rot 180:sc= 0.342 USER MOD Set 4.1: A 11 THR OG1 : rot 62:sc= 0.531 USER MOD Set 4.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.417 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 152:sc= -1.08 (180deg=-2.05!) USER MOD Single : A 12 SER OG : rot 62:sc= 0.252 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -2.5! C(o=-2.5!,f=-3.5!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0667 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 31 SER OG : rot 22:sc= 0.165 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0698 USER MOD Single : A 45 THR OG1 : rot 78:sc= -0.348 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 57 ASN : amide:sc= -0.212 K(o=-0.21,f=-1.1!) USER MOD Single : A 58 SER OG : rot 38:sc= 0.373 USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= -0.147 (180deg=-0.274) USER MOD Single : A 66 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.057) USER MOD Single : A 70 ASN : amide:sc= -2.11 K(o=-2.1,f=-3.2) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.81 K(o=-1.8,f=-12!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.03 K(o=-1,f=-2.6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 100 SER OG : rot 1:sc= 0.391 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.381 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -23.150 18.733 26.083 1.00 33.15 N ATOM 2 CA ALA A 1 -21.759 18.566 25.680 1.00 42.02 C ATOM 3 C ALA A 1 -21.241 19.812 24.969 1.00 41.34 C ATOM 4 O ALA A 1 -21.829 20.271 23.988 1.00 73.31 O ATOM 5 CB ALA A 1 -21.611 17.345 24.784 1.00 43.35 C ATOM 0 H1 ALA A 1 -23.478 17.871 26.564 1.00 33.15 H new ATOM 0 H2 ALA A 1 -23.229 19.543 26.731 1.00 33.15 H new ATOM 0 H3 ALA A 1 -23.737 18.904 25.242 1.00 33.15 H new ATOM 0 HA ALA A 1 -21.161 18.417 26.579 1.00 42.02 H new ATOM 0 HB1 ALA A 1 -20.567 17.233 24.491 1.00 43.35 H new ATOM 0 HB2 ALA A 1 -21.933 16.455 25.325 1.00 43.35 H new ATOM 0 HB3 ALA A 1 -22.226 17.471 23.893 1.00 43.35 H new ATOM 11 N THR A 2 -20.137 20.357 25.470 1.00 42.45 N ATOM 12 CA THR A 2 -19.540 21.552 24.884 1.00 64.51 C ATOM 13 C THR A 2 -18.163 21.251 24.306 1.00 51.43 C ATOM 14 O THR A 2 -17.235 22.049 24.441 1.00 12.44 O ATOM 15 CB THR A 2 -19.413 22.683 25.922 1.00 61.12 C ATOM 16 OG1 THR A 2 -20.549 22.677 26.795 1.00 31.20 O ATOM 17 CG2 THR A 2 -19.301 24.036 25.236 1.00 21.21 C ATOM 0 H THR A 2 -19.638 19.990 26.280 1.00 42.45 H new ATOM 0 HA THR A 2 -20.204 21.877 24.083 1.00 64.51 H new ATOM 0 HB THR A 2 -18.507 22.512 26.504 1.00 61.12 H new ATOM 0 HG1 THR A 2 -20.460 23.398 27.453 1.00 31.20 H new ATOM 0 HG21 THR A 2 -19.212 24.819 25.989 1.00 21.21 H new ATOM 0 HG22 THR A 2 -18.419 24.047 24.595 1.00 21.21 H new ATOM 0 HG23 THR A 2 -20.191 24.212 24.632 1.00 21.21 H new ATOM 25 N SER A 3 -18.036 20.096 23.661 1.00 50.33 N ATOM 26 CA SER A 3 -16.770 19.689 23.064 1.00 50.42 C ATOM 27 C SER A 3 -16.995 18.661 21.959 1.00 21.21 C ATOM 28 O SER A 3 -18.129 18.411 21.551 1.00 24.03 O ATOM 29 CB SER A 3 -15.841 19.111 24.132 1.00 33.45 C ATOM 30 OG SER A 3 -16.221 19.541 25.427 1.00 64.21 O ATOM 0 H SER A 3 -18.795 19.425 23.539 1.00 50.33 H new ATOM 0 HA SER A 3 -16.304 20.571 22.626 1.00 50.42 H new ATOM 0 HB2 SER A 3 -15.863 18.022 24.086 1.00 33.45 H new ATOM 0 HB3 SER A 3 -14.815 19.418 23.930 1.00 33.45 H new ATOM 0 HG SER A 3 -15.612 19.156 26.091 1.00 64.21 H new ATOM 36 N ALA A 4 -15.907 18.068 21.479 1.00 41.34 N ATOM 37 CA ALA A 4 -15.985 17.066 20.423 1.00 63.01 C ATOM 38 C ALA A 4 -16.077 15.661 21.006 1.00 64.41 C ATOM 39 O ALA A 4 -15.366 15.321 21.953 1.00 64.54 O ATOM 40 CB ALA A 4 -14.781 17.178 19.500 1.00 52.32 C ATOM 0 H ALA A 4 -14.961 18.264 21.805 1.00 41.34 H new ATOM 0 HA ALA A 4 -16.891 17.252 19.846 1.00 63.01 H new ATOM 0 HB1 ALA A 4 -14.852 16.424 18.716 1.00 52.32 H new ATOM 0 HB2 ALA A 4 -14.760 18.170 19.049 1.00 52.32 H new ATOM 0 HB3 ALA A 4 -13.867 17.021 20.073 1.00 52.32 H new ATOM 46 N THR A 5 -16.960 14.845 20.437 1.00 44.34 N ATOM 47 CA THR A 5 -17.148 13.477 20.902 1.00 13.44 C ATOM 48 C THR A 5 -17.488 12.545 19.743 1.00 75.23 C ATOM 49 O THR A 5 -17.929 12.991 18.685 1.00 13.31 O ATOM 50 CB THR A 5 -18.263 13.391 21.959 1.00 72.15 C ATOM 51 OG1 THR A 5 -19.376 14.202 21.566 1.00 13.34 O ATOM 52 CG2 THR A 5 -17.755 13.844 23.320 1.00 12.52 C ATOM 0 H THR A 5 -17.556 15.109 19.653 1.00 44.34 H new ATOM 0 HA THR A 5 -16.206 13.164 21.353 1.00 13.44 H new ATOM 0 HB THR A 5 -18.581 12.351 22.035 1.00 72.15 H new ATOM 0 HG1 THR A 5 -20.081 14.140 22.243 1.00 13.34 H new ATOM 0 HG21 THR A 5 -18.561 13.774 24.051 1.00 12.52 H new ATOM 0 HG22 THR A 5 -16.928 13.206 23.630 1.00 12.52 H new ATOM 0 HG23 THR A 5 -17.412 14.877 23.255 1.00 12.52 H new ATOM 60 N ALA A 6 -17.279 11.249 19.953 1.00 5.43 N ATOM 61 CA ALA A 6 -17.567 10.255 18.927 1.00 33.21 C ATOM 62 C ALA A 6 -18.063 8.953 19.548 1.00 23.21 C ATOM 63 O ALA A 6 -17.906 8.725 20.747 1.00 72.23 O ATOM 64 CB ALA A 6 -16.329 9.998 18.079 1.00 63.20 C ATOM 0 H ALA A 6 -16.912 10.864 20.823 1.00 5.43 H new ATOM 0 HA ALA A 6 -18.358 10.647 18.288 1.00 33.21 H new ATOM 0 HB1 ALA A 6 -16.558 9.253 17.317 1.00 63.20 H new ATOM 0 HB2 ALA A 6 -16.018 10.926 17.598 1.00 63.20 H new ATOM 0 HB3 ALA A 6 -15.523 9.631 18.714 1.00 63.20 H new ATOM 70 N THR A 7 -18.666 8.101 18.724 1.00 51.21 N ATOM 71 CA THR A 7 -19.187 6.823 19.193 1.00 45.31 C ATOM 72 C THR A 7 -18.917 5.716 18.181 1.00 25.52 C ATOM 73 O THR A 7 -19.084 5.907 16.976 1.00 4.13 O ATOM 74 CB THR A 7 -20.702 6.900 19.463 1.00 52.40 C ATOM 75 OG1 THR A 7 -20.999 8.051 20.261 1.00 1.22 O ATOM 76 CG2 THR A 7 -21.189 5.645 20.171 1.00 42.13 C ATOM 0 H THR A 7 -18.805 8.273 17.728 1.00 51.21 H new ATOM 0 HA THR A 7 -18.671 6.593 20.125 1.00 45.31 H new ATOM 0 HB THR A 7 -21.217 6.980 18.506 1.00 52.40 H new ATOM 0 HG1 THR A 7 -21.964 8.094 20.427 1.00 1.22 H new ATOM 0 HG21 THR A 7 -22.261 5.722 20.351 1.00 42.13 H new ATOM 0 HG22 THR A 7 -20.987 4.774 19.547 1.00 42.13 H new ATOM 0 HG23 THR A 7 -20.668 5.539 21.122 1.00 42.13 H new ATOM 84 N PHE A 8 -18.503 4.555 18.677 1.00 52.44 N ATOM 85 CA PHE A 8 -18.210 3.415 17.816 1.00 50.13 C ATOM 86 C PHE A 8 -19.497 2.746 17.344 1.00 4.11 C ATOM 87 O PHE A 8 -20.446 2.589 18.112 1.00 72.43 O ATOM 88 CB PHE A 8 -17.336 2.401 18.556 1.00 72.30 C ATOM 89 CG PHE A 8 -16.983 1.198 17.729 1.00 2.40 C ATOM 90 CD1 PHE A 8 -16.394 1.346 16.483 1.00 72.21 C ATOM 91 CD2 PHE A 8 -17.238 -0.081 18.196 1.00 71.55 C ATOM 92 CE1 PHE A 8 -16.069 0.241 15.720 1.00 13.11 C ATOM 93 CE2 PHE A 8 -16.914 -1.190 17.438 1.00 61.30 C ATOM 94 CZ PHE A 8 -16.328 -1.029 16.198 1.00 52.35 C ATOM 0 H PHE A 8 -18.363 4.379 19.672 1.00 52.44 H new ATOM 0 HA PHE A 8 -17.670 3.780 16.943 1.00 50.13 H new ATOM 0 HB2 PHE A 8 -16.418 2.892 18.879 1.00 72.30 H new ATOM 0 HB3 PHE A 8 -17.856 2.073 19.456 1.00 72.30 H new ATOM 0 HD1 PHE A 8 -16.187 2.336 16.104 1.00 72.21 H new ATOM 0 HD2 PHE A 8 -17.696 -0.213 19.165 1.00 71.55 H new ATOM 0 HE1 PHE A 8 -15.612 0.370 14.750 1.00 13.11 H new ATOM 0 HE2 PHE A 8 -17.119 -2.181 17.815 1.00 61.30 H new ATOM 0 HZ PHE A 8 -16.073 -1.894 15.603 1.00 52.35 H new ATOM 104 N ALA A 9 -19.523 2.355 16.075 1.00 10.33 N ATOM 105 CA ALA A 9 -20.692 1.701 15.500 1.00 4.43 C ATOM 106 C ALA A 9 -20.283 0.599 14.529 1.00 24.12 C ATOM 107 O ALA A 9 -19.226 0.669 13.902 1.00 71.13 O ATOM 108 CB ALA A 9 -21.577 2.723 14.799 1.00 14.14 C ATOM 0 H ALA A 9 -18.747 2.480 15.425 1.00 10.33 H new ATOM 0 HA ALA A 9 -21.257 1.243 16.312 1.00 4.43 H new ATOM 0 HB1 ALA A 9 -22.446 2.221 14.374 1.00 14.14 H new ATOM 0 HB2 ALA A 9 -21.907 3.473 15.518 1.00 14.14 H new ATOM 0 HB3 ALA A 9 -21.013 3.208 14.002 1.00 14.14 H new ATOM 114 N LYS A 10 -21.128 -0.420 14.409 1.00 0.43 N ATOM 115 CA LYS A 10 -20.855 -1.539 13.514 1.00 15.20 C ATOM 116 C LYS A 10 -21.523 -1.326 12.159 1.00 33.41 C ATOM 117 O LYS A 10 -22.640 -0.814 12.078 1.00 74.52 O ATOM 118 CB LYS A 10 -21.345 -2.848 14.137 1.00 11.02 C ATOM 119 CG LYS A 10 -20.342 -3.984 14.031 1.00 2.02 C ATOM 120 CD LYS A 10 -20.499 -4.746 12.726 1.00 13.14 C ATOM 121 CE LYS A 10 -19.182 -5.364 12.281 1.00 21.25 C ATOM 122 NZ LYS A 10 -18.549 -6.164 13.365 1.00 65.44 N ATOM 0 H LYS A 10 -22.008 -0.494 14.920 1.00 0.43 H new ATOM 0 HA LYS A 10 -19.777 -1.598 13.363 1.00 15.20 H new ATOM 0 HB2 LYS A 10 -21.577 -2.676 15.188 1.00 11.02 H new ATOM 0 HB3 LYS A 10 -22.273 -3.147 13.650 1.00 11.02 H new ATOM 0 HG2 LYS A 10 -19.330 -3.585 14.101 1.00 2.02 H new ATOM 0 HG3 LYS A 10 -20.474 -4.667 14.870 1.00 2.02 H new ATOM 0 HD2 LYS A 10 -21.247 -5.529 12.848 1.00 13.14 H new ATOM 0 HD3 LYS A 10 -20.866 -4.072 11.952 1.00 13.14 H new ATOM 0 HE2 LYS A 10 -19.355 -6.001 11.414 1.00 21.25 H new ATOM 0 HE3 LYS A 10 -18.499 -4.575 11.966 1.00 21.25 H new ATOM 0 HZ1 LYS A 10 -17.967 -6.917 12.946 1.00 65.44 H new ATOM 0 HZ2 LYS A 10 -17.949 -5.546 13.948 1.00 65.44 H new ATOM 0 HZ3 LYS A 10 -19.289 -6.589 13.960 1.00 65.44 H new ATOM 136 N THR A 11 -20.833 -1.726 11.095 1.00 70.02 N ATOM 137 CA THR A 11 -21.359 -1.579 9.744 1.00 22.42 C ATOM 138 C THR A 11 -21.774 -2.928 9.167 1.00 13.02 C ATOM 139 O THR A 11 -22.922 -3.114 8.762 1.00 74.13 O ATOM 140 CB THR A 11 -20.326 -0.928 8.805 1.00 33.51 C ATOM 141 OG1 THR A 11 -19.445 -0.085 9.557 1.00 4.33 O ATOM 142 CG2 THR A 11 -21.016 -0.114 7.722 1.00 13.04 C ATOM 0 H THR A 11 -19.909 -2.154 11.143 1.00 70.02 H new ATOM 0 HA THR A 11 -22.233 -0.931 9.814 1.00 22.42 H new ATOM 0 HB THR A 11 -19.750 -1.721 8.328 1.00 33.51 H new ATOM 0 HG1 THR A 11 -18.953 -0.626 10.210 1.00 4.33 H new ATOM 0 HG21 THR A 11 -20.266 0.336 7.071 1.00 13.04 H new ATOM 0 HG22 THR A 11 -21.663 -0.765 7.134 1.00 13.04 H new ATOM 0 HG23 THR A 11 -21.615 0.672 8.183 1.00 13.04 H new ATOM 150 N SER A 12 -20.834 -3.867 9.133 1.00 40.31 N ATOM 151 CA SER A 12 -21.101 -5.198 8.602 1.00 33.13 C ATOM 152 C SER A 12 -19.861 -6.081 8.698 1.00 52.42 C ATOM 153 O SER A 12 -18.760 -5.667 8.331 1.00 3.22 O ATOM 154 CB SER A 12 -21.565 -5.106 7.147 1.00 32.43 C ATOM 155 OG SER A 12 -22.943 -5.416 7.031 1.00 42.14 O ATOM 0 H SER A 12 -19.880 -3.730 9.467 1.00 40.31 H new ATOM 0 HA SER A 12 -21.893 -5.649 9.201 1.00 33.13 H new ATOM 0 HB2 SER A 12 -21.382 -4.101 6.766 1.00 32.43 H new ATOM 0 HB3 SER A 12 -20.982 -5.791 6.532 1.00 32.43 H new ATOM 0 HG SER A 12 -23.468 -4.768 7.545 1.00 42.14 H new ATOM 161 N ASP A 13 -20.046 -7.299 9.193 1.00 21.23 N ATOM 162 CA ASP A 13 -18.942 -8.242 9.338 1.00 5.34 C ATOM 163 C ASP A 13 -19.145 -9.457 8.436 1.00 64.33 C ATOM 164 O ASP A 13 -20.197 -10.096 8.467 1.00 43.15 O ATOM 165 CB ASP A 13 -18.812 -8.688 10.794 1.00 34.54 C ATOM 166 CG ASP A 13 -20.156 -8.819 11.483 1.00 31.02 C ATOM 167 OD1 ASP A 13 -20.910 -9.753 11.138 1.00 43.32 O ATOM 168 OD2 ASP A 13 -20.454 -7.988 12.366 1.00 21.01 O ATOM 0 H ASP A 13 -20.950 -7.658 9.501 1.00 21.23 H new ATOM 0 HA ASP A 13 -18.023 -7.738 9.038 1.00 5.34 H new ATOM 0 HB2 ASP A 13 -18.293 -9.646 10.832 1.00 34.54 H new ATOM 0 HB3 ASP A 13 -18.197 -7.970 11.337 1.00 34.54 H new ATOM 173 N TRP A 14 -18.132 -9.769 7.636 1.00 43.24 N ATOM 174 CA TRP A 14 -18.200 -10.906 6.726 1.00 41.03 C ATOM 175 C TRP A 14 -17.260 -12.019 7.175 1.00 41.41 C ATOM 176 O TRP A 14 -16.125 -12.114 6.706 1.00 65.33 O ATOM 177 CB TRP A 14 -17.850 -10.468 5.303 1.00 52.41 C ATOM 178 CG TRP A 14 -16.641 -9.583 5.234 1.00 63.40 C ATOM 179 CD1 TRP A 14 -15.362 -9.963 4.945 1.00 75.43 C ATOM 180 CD2 TRP A 14 -16.601 -8.169 5.461 1.00 35.23 C ATOM 181 NE1 TRP A 14 -14.528 -8.871 4.979 1.00 25.34 N ATOM 182 CE2 TRP A 14 -15.264 -7.760 5.292 1.00 51.44 C ATOM 183 CE3 TRP A 14 -17.564 -7.211 5.788 1.00 75.01 C ATOM 184 CZ2 TRP A 14 -14.868 -6.433 5.441 1.00 63.30 C ATOM 185 CZ3 TRP A 14 -17.170 -5.895 5.935 1.00 32.12 C ATOM 186 CH2 TRP A 14 -15.832 -5.515 5.761 1.00 23.22 C ATOM 0 H TRP A 14 -17.254 -9.251 7.599 1.00 43.24 H new ATOM 0 HA TRP A 14 -19.220 -11.290 6.739 1.00 41.03 H new ATOM 0 HB2 TRP A 14 -17.679 -11.353 4.690 1.00 52.41 H new ATOM 0 HB3 TRP A 14 -18.702 -9.942 4.873 1.00 52.41 H new ATOM 0 HD1 TRP A 14 -15.051 -10.973 4.722 1.00 75.43 H new ATOM 0 HE1 TRP A 14 -13.524 -8.886 4.800 1.00 25.34 H new ATOM 0 HE3 TRP A 14 -18.597 -7.494 5.923 1.00 75.01 H new ATOM 0 HZ2 TRP A 14 -13.837 -6.139 5.309 1.00 63.30 H new ATOM 0 HZ3 TRP A 14 -17.906 -5.146 6.188 1.00 32.12 H new ATOM 0 HH2 TRP A 14 -15.556 -4.478 5.882 1.00 23.22 H new ATOM 197 N GLY A 15 -17.738 -12.861 8.086 1.00 34.21 N ATOM 198 CA GLY A 15 -16.926 -13.957 8.582 1.00 62.13 C ATOM 199 C GLY A 15 -15.841 -13.490 9.533 1.00 64.21 C ATOM 200 O GLY A 15 -16.060 -13.401 10.742 1.00 4.11 O ATOM 0 H GLY A 15 -18.673 -12.804 8.489 1.00 34.21 H new ATOM 0 HA2 GLY A 15 -17.566 -14.678 9.091 1.00 62.13 H new ATOM 0 HA3 GLY A 15 -16.468 -14.476 7.740 1.00 62.13 H new ATOM 204 N THR A 16 -14.666 -13.193 8.988 1.00 22.51 N ATOM 205 CA THR A 16 -13.542 -12.737 9.796 1.00 45.55 C ATOM 206 C THR A 16 -13.372 -11.225 9.696 1.00 44.33 C ATOM 207 O THR A 16 -12.708 -10.609 10.528 1.00 51.32 O ATOM 208 CB THR A 16 -12.229 -13.418 9.369 1.00 32.54 C ATOM 209 OG1 THR A 16 -11.139 -12.917 10.150 1.00 62.14 O ATOM 210 CG2 THR A 16 -11.952 -13.183 7.892 1.00 1.12 C ATOM 0 H THR A 16 -14.468 -13.260 7.990 1.00 22.51 H new ATOM 0 HA THR A 16 -13.764 -13.009 10.828 1.00 45.55 H new ATOM 0 HB THR A 16 -12.332 -14.490 9.537 1.00 32.54 H new ATOM 0 HG1 THR A 16 -11.296 -11.973 10.363 1.00 62.14 H new ATOM 0 HG21 THR A 16 -11.019 -13.674 7.614 1.00 1.12 H new ATOM 0 HG22 THR A 16 -12.769 -13.594 7.299 1.00 1.12 H new ATOM 0 HG23 THR A 16 -11.869 -12.113 7.703 1.00 1.12 H new ATOM 218 N GLY A 17 -13.977 -10.632 8.671 1.00 3.22 N ATOM 219 CA GLY A 17 -13.881 -9.196 8.481 1.00 75.12 C ATOM 220 C GLY A 17 -14.978 -8.441 9.203 1.00 75.11 C ATOM 221 O GLY A 17 -16.090 -8.946 9.359 1.00 72.14 O ATOM 0 H GLY A 17 -14.532 -11.121 7.969 1.00 3.22 H new ATOM 0 HA2 GLY A 17 -12.911 -8.850 8.837 1.00 75.12 H new ATOM 0 HA3 GLY A 17 -13.929 -8.970 7.416 1.00 75.12 H new ATOM 225 N PHE A 18 -14.666 -7.228 9.646 1.00 62.53 N ATOM 226 CA PHE A 18 -15.634 -6.402 10.360 1.00 3.44 C ATOM 227 C PHE A 18 -15.607 -4.965 9.844 1.00 33.52 C ATOM 228 O PHE A 18 -14.546 -4.425 9.536 1.00 14.24 O ATOM 229 CB PHE A 18 -15.346 -6.423 11.862 1.00 41.25 C ATOM 230 CG PHE A 18 -14.181 -5.564 12.260 1.00 52.55 C ATOM 231 CD1 PHE A 18 -14.367 -4.232 12.596 1.00 64.24 C ATOM 232 CD2 PHE A 18 -12.898 -6.087 12.300 1.00 23.02 C ATOM 233 CE1 PHE A 18 -13.296 -3.439 12.962 1.00 72.14 C ATOM 234 CE2 PHE A 18 -11.824 -5.299 12.666 1.00 54.14 C ATOM 235 CZ PHE A 18 -12.023 -3.973 12.998 1.00 74.42 C ATOM 0 H PHE A 18 -13.751 -6.795 9.524 1.00 62.53 H new ATOM 0 HA PHE A 18 -16.627 -6.815 10.183 1.00 3.44 H new ATOM 0 HB2 PHE A 18 -16.234 -6.089 12.399 1.00 41.25 H new ATOM 0 HB3 PHE A 18 -15.153 -7.450 12.173 1.00 41.25 H new ATOM 0 HD1 PHE A 18 -15.360 -3.809 12.571 1.00 64.24 H new ATOM 0 HD2 PHE A 18 -12.736 -7.123 12.042 1.00 23.02 H new ATOM 0 HE1 PHE A 18 -13.455 -2.402 13.220 1.00 72.14 H new ATOM 0 HE2 PHE A 18 -10.830 -5.719 12.693 1.00 54.14 H new ATOM 0 HZ PHE A 18 -11.185 -3.355 13.285 1.00 74.42 H new ATOM 245 N GLY A 19 -16.784 -4.353 9.755 1.00 54.01 N ATOM 246 CA GLY A 19 -16.874 -2.986 9.276 1.00 32.14 C ATOM 247 C GLY A 19 -17.005 -1.984 10.406 1.00 30.30 C ATOM 248 O GLY A 19 -18.045 -1.905 11.058 1.00 75.11 O ATOM 0 H GLY A 19 -17.676 -4.779 10.006 1.00 54.01 H new ATOM 0 HA2 GLY A 19 -15.987 -2.751 8.687 1.00 32.14 H new ATOM 0 HA3 GLY A 19 -17.732 -2.893 8.611 1.00 32.14 H new ATOM 252 N GLY A 20 -15.945 -1.216 10.639 1.00 42.33 N ATOM 253 CA GLY A 20 -15.965 -0.225 11.699 1.00 63.21 C ATOM 254 C GLY A 20 -16.476 1.121 11.225 1.00 52.23 C ATOM 255 O GLY A 20 -16.023 1.640 10.205 1.00 64.34 O ATOM 0 H GLY A 20 -15.073 -1.262 10.112 1.00 42.33 H new ATOM 0 HA2 GLY A 20 -16.594 -0.582 12.514 1.00 63.21 H new ATOM 0 HA3 GLY A 20 -14.959 -0.107 12.101 1.00 63.21 H new ATOM 259 N SER A 21 -17.423 1.686 11.966 1.00 64.24 N ATOM 260 CA SER A 21 -18.001 2.978 11.613 1.00 54.41 C ATOM 261 C SER A 21 -17.858 3.970 12.762 1.00 71.25 C ATOM 262 O SER A 21 -18.640 3.950 13.714 1.00 41.03 O ATOM 263 CB SER A 21 -19.476 2.817 11.243 1.00 24.04 C ATOM 264 OG SER A 21 -19.702 3.153 9.885 1.00 62.05 O ATOM 0 H SER A 21 -17.807 1.270 12.815 1.00 64.24 H new ATOM 0 HA SER A 21 -17.458 3.367 10.751 1.00 54.41 H new ATOM 0 HB2 SER A 21 -19.789 1.789 11.423 1.00 24.04 H new ATOM 0 HB3 SER A 21 -20.086 3.453 11.884 1.00 24.04 H new ATOM 0 HG SER A 21 -20.652 3.040 9.674 1.00 62.05 H new ATOM 270 N TRP A 22 -16.855 4.836 12.668 1.00 31.44 N ATOM 271 CA TRP A 22 -16.610 5.836 13.701 1.00 41.52 C ATOM 272 C TRP A 22 -17.366 7.125 13.400 1.00 41.13 C ATOM 273 O TRP A 22 -17.126 7.776 12.382 1.00 32.33 O ATOM 274 CB TRP A 22 -15.112 6.123 13.815 1.00 70.12 C ATOM 275 CG TRP A 22 -14.328 4.975 14.374 1.00 32.12 C ATOM 276 CD1 TRP A 22 -13.596 4.063 13.669 1.00 34.43 C ATOM 277 CD2 TRP A 22 -14.199 4.615 15.754 1.00 2.42 C ATOM 278 NE1 TRP A 22 -13.020 3.157 14.528 1.00 21.40 N ATOM 279 CE2 TRP A 22 -13.374 3.475 15.812 1.00 51.20 C ATOM 280 CE3 TRP A 22 -14.699 5.147 16.946 1.00 11.53 C ATOM 281 CZ2 TRP A 22 -13.041 2.859 17.016 1.00 2.21 C ATOM 282 CZ3 TRP A 22 -14.367 4.534 18.139 1.00 0.04 C ATOM 283 CH2 TRP A 22 -13.544 3.400 18.166 1.00 61.54 C ATOM 0 H TRP A 22 -16.199 4.866 11.888 1.00 31.44 H new ATOM 0 HA TRP A 22 -16.970 5.439 14.650 1.00 41.52 H new ATOM 0 HB2 TRP A 22 -14.721 6.374 12.829 1.00 70.12 H new ATOM 0 HB3 TRP A 22 -14.964 6.997 14.449 1.00 70.12 H new ATOM 0 HD1 TRP A 22 -13.486 4.055 12.595 1.00 34.43 H new ATOM 0 HE1 TRP A 22 -12.426 2.375 14.253 1.00 21.40 H new ATOM 0 HE3 TRP A 22 -15.333 6.021 16.935 1.00 11.53 H new ATOM 0 HZ2 TRP A 22 -12.408 1.985 17.040 1.00 2.21 H new ATOM 0 HZ3 TRP A 22 -14.748 4.936 19.066 1.00 0.04 H new ATOM 0 HH2 TRP A 22 -13.302 2.944 19.115 1.00 61.54 H new ATOM 294 N THR A 23 -18.280 7.493 14.294 1.00 1.44 N ATOM 295 CA THR A 23 -19.071 8.705 14.123 1.00 12.03 C ATOM 296 C THR A 23 -18.452 9.877 14.876 1.00 34.42 C ATOM 297 O THR A 23 -18.461 9.910 16.107 1.00 53.21 O ATOM 298 CB THR A 23 -20.519 8.503 14.610 1.00 41.12 C ATOM 299 OG1 THR A 23 -21.124 7.412 13.908 1.00 32.32 O ATOM 300 CG2 THR A 23 -21.340 9.766 14.400 1.00 25.43 C ATOM 0 H THR A 23 -18.490 6.969 15.143 1.00 1.44 H new ATOM 0 HA THR A 23 -19.082 8.928 13.056 1.00 12.03 H new ATOM 0 HB THR A 23 -20.493 8.278 15.676 1.00 41.12 H new ATOM 0 HG1 THR A 23 -22.043 7.289 14.224 1.00 32.32 H new ATOM 0 HG21 THR A 23 -22.359 9.600 14.751 1.00 25.43 H new ATOM 0 HG22 THR A 23 -20.893 10.588 14.959 1.00 25.43 H new ATOM 0 HG23 THR A 23 -21.358 10.016 13.339 1.00 25.43 H new ATOM 308 N VAL A 24 -17.915 10.836 14.131 1.00 1.35 N ATOM 309 CA VAL A 24 -17.293 12.011 14.728 1.00 61.13 C ATOM 310 C VAL A 24 -18.169 13.247 14.552 1.00 62.11 C ATOM 311 O VAL A 24 -18.653 13.527 13.456 1.00 22.30 O ATOM 312 CB VAL A 24 -15.907 12.287 14.115 1.00 24.30 C ATOM 313 CG1 VAL A 24 -15.186 13.377 14.891 1.00 74.32 C ATOM 314 CG2 VAL A 24 -15.080 11.011 14.076 1.00 52.30 C ATOM 0 H VAL A 24 -17.898 10.823 13.111 1.00 1.35 H new ATOM 0 HA VAL A 24 -17.176 11.800 15.791 1.00 61.13 H new ATOM 0 HB VAL A 24 -16.044 12.636 13.091 1.00 24.30 H new ATOM 0 HG11 VAL A 24 -14.209 13.557 14.443 1.00 74.32 H new ATOM 0 HG12 VAL A 24 -15.774 14.294 14.861 1.00 74.32 H new ATOM 0 HG13 VAL A 24 -15.057 13.062 15.927 1.00 74.32 H new ATOM 0 HG21 VAL A 24 -14.104 11.223 13.640 1.00 52.30 H new ATOM 0 HG22 VAL A 24 -14.950 10.631 15.089 1.00 52.30 H new ATOM 0 HG23 VAL A 24 -15.593 10.263 13.471 1.00 52.30 H new ATOM 324 N LYS A 25 -18.369 13.984 15.640 1.00 51.01 N ATOM 325 CA LYS A 25 -19.185 15.191 15.607 1.00 12.31 C ATOM 326 C LYS A 25 -18.607 16.264 16.526 1.00 13.54 C ATOM 327 O LYS A 25 -18.344 16.013 17.700 1.00 31.53 O ATOM 328 CB LYS A 25 -20.623 14.870 16.022 1.00 51.34 C ATOM 329 CG LYS A 25 -21.533 16.086 16.049 1.00 73.24 C ATOM 330 CD LYS A 25 -22.977 15.708 15.767 1.00 2.54 C ATOM 331 CE LYS A 25 -23.757 15.485 17.052 1.00 73.11 C ATOM 332 NZ LYS A 25 -25.016 14.727 16.813 1.00 31.20 N ATOM 0 H LYS A 25 -17.977 13.766 16.556 1.00 51.01 H new ATOM 0 HA LYS A 25 -19.184 15.573 14.586 1.00 12.31 H new ATOM 0 HB2 LYS A 25 -21.035 14.133 15.333 1.00 51.34 H new ATOM 0 HB3 LYS A 25 -20.613 14.412 17.011 1.00 51.34 H new ATOM 0 HG2 LYS A 25 -21.466 16.570 17.023 1.00 73.24 H new ATOM 0 HG3 LYS A 25 -21.195 16.811 15.309 1.00 73.24 H new ATOM 0 HD2 LYS A 25 -23.453 16.496 15.184 1.00 2.54 H new ATOM 0 HD3 LYS A 25 -23.005 14.802 15.161 1.00 2.54 H new ATOM 0 HE2 LYS A 25 -23.136 14.942 17.764 1.00 73.11 H new ATOM 0 HE3 LYS A 25 -23.993 16.448 17.505 1.00 73.11 H new ATOM 0 HZ1 LYS A 25 -25.519 14.596 17.714 1.00 31.20 H new ATOM 0 HZ2 LYS A 25 -25.620 15.257 16.153 1.00 31.20 H new ATOM 0 HZ3 LYS A 25 -24.790 13.798 16.405 1.00 31.20 H new ATOM 346 N ASN A 26 -18.413 17.461 15.980 1.00 32.11 N ATOM 347 CA ASN A 26 -17.867 18.572 16.752 1.00 22.33 C ATOM 348 C ASN A 26 -18.901 19.683 16.912 1.00 22.33 C ATOM 349 O ASN A 26 -19.558 20.079 15.949 1.00 13.22 O ATOM 350 CB ASN A 26 -16.612 19.123 16.072 1.00 74.13 C ATOM 351 CG ASN A 26 -15.784 18.034 15.417 1.00 31.34 C ATOM 352 OD1 ASN A 26 -15.127 17.245 16.097 1.00 34.24 O ATOM 353 ND2 ASN A 26 -15.811 17.987 14.091 1.00 5.22 N ATOM 0 H ASN A 26 -18.625 17.686 15.008 1.00 32.11 H new ATOM 0 HA ASN A 26 -17.603 18.200 17.742 1.00 22.33 H new ATOM 0 HB2 ASN A 26 -16.902 19.857 15.320 1.00 74.13 H new ATOM 0 HB3 ASN A 26 -16.002 19.646 16.809 1.00 74.13 H new ATOM 0 HD21 ASN A 26 -15.273 17.277 13.595 1.00 5.22 H new ATOM 0 HD22 ASN A 26 -16.370 18.661 13.568 1.00 5.22 H new ATOM 360 N THR A 27 -19.040 20.181 18.136 1.00 74.15 N ATOM 361 CA THR A 27 -19.993 21.246 18.424 1.00 23.24 C ATOM 362 C THR A 27 -19.828 21.762 19.849 1.00 61.32 C ATOM 363 O THR A 27 -19.400 21.028 20.739 1.00 40.01 O ATOM 364 CB THR A 27 -21.445 20.767 18.229 1.00 54.43 C ATOM 365 OG1 THR A 27 -21.467 19.356 17.987 1.00 64.22 O ATOM 366 CG2 THR A 27 -22.102 21.496 17.067 1.00 43.24 C ATOM 0 H THR A 27 -18.505 19.864 18.944 1.00 74.15 H new ATOM 0 HA THR A 27 -19.786 22.054 17.722 1.00 23.24 H new ATOM 0 HB THR A 27 -22.003 20.987 19.139 1.00 54.43 H new ATOM 0 HG1 THR A 27 -22.393 19.059 17.866 1.00 64.22 H new ATOM 0 HG21 THR A 27 -23.126 21.142 16.948 1.00 43.24 H new ATOM 0 HG22 THR A 27 -22.109 22.567 17.267 1.00 43.24 H new ATOM 0 HG23 THR A 27 -21.542 21.302 16.152 1.00 43.24 H new ATOM 374 N GLY A 28 -20.171 23.030 20.057 1.00 75.51 N ATOM 375 CA GLY A 28 -20.052 23.622 21.378 1.00 24.45 C ATOM 376 C GLY A 28 -18.773 24.417 21.545 1.00 4.24 C ATOM 377 O GLY A 28 -18.775 25.496 22.137 1.00 23.42 O ATOM 0 H GLY A 28 -20.528 23.657 19.336 1.00 75.51 H new ATOM 0 HA2 GLY A 28 -20.907 24.273 21.559 1.00 24.45 H new ATOM 0 HA3 GLY A 28 -20.087 22.834 22.130 1.00 24.45 H new ATOM 381 N THR A 29 -17.673 23.883 21.022 1.00 23.34 N ATOM 382 CA THR A 29 -16.381 24.547 21.118 1.00 15.42 C ATOM 383 C THR A 29 -16.199 25.562 19.995 1.00 21.13 C ATOM 384 O THR A 29 -16.983 25.600 19.046 1.00 11.23 O ATOM 385 CB THR A 29 -15.222 23.533 21.069 1.00 74.33 C ATOM 386 OG1 THR A 29 -15.625 22.364 20.348 1.00 54.20 O ATOM 387 CG2 THR A 29 -14.785 23.143 22.473 1.00 20.30 C ATOM 0 H THR A 29 -17.653 22.991 20.527 1.00 23.34 H new ATOM 0 HA THR A 29 -16.363 25.063 22.078 1.00 15.42 H new ATOM 0 HB THR A 29 -14.380 24.001 20.560 1.00 74.33 H new ATOM 0 HG1 THR A 29 -14.883 21.725 20.320 1.00 54.20 H new ATOM 0 HG21 THR A 29 -13.966 22.426 22.413 1.00 20.30 H new ATOM 0 HG22 THR A 29 -14.452 24.031 23.010 1.00 20.30 H new ATOM 0 HG23 THR A 29 -15.624 22.692 23.003 1.00 20.30 H new ATOM 395 N THR A 30 -15.161 26.384 20.108 1.00 55.25 N ATOM 396 CA THR A 30 -14.877 27.401 19.103 1.00 34.54 C ATOM 397 C THR A 30 -14.603 26.767 17.743 1.00 25.13 C ATOM 398 O THR A 30 -14.768 25.560 17.566 1.00 43.01 O ATOM 399 CB THR A 30 -13.668 28.266 19.505 1.00 44.01 C ATOM 400 OG1 THR A 30 -13.245 27.931 20.831 1.00 61.01 O ATOM 401 CG2 THR A 30 -14.016 29.746 19.437 1.00 65.43 C ATOM 0 H THR A 30 -14.502 26.365 20.886 1.00 55.25 H new ATOM 0 HA THR A 30 -15.761 28.035 19.035 1.00 34.54 H new ATOM 0 HB THR A 30 -12.857 28.066 18.804 1.00 44.01 H new ATOM 0 HG1 THR A 30 -12.475 28.484 21.078 1.00 61.01 H new ATOM 0 HG21 THR A 30 -13.147 30.338 19.725 1.00 65.43 H new ATOM 0 HG22 THR A 30 -14.310 30.004 18.420 1.00 65.43 H new ATOM 0 HG23 THR A 30 -14.841 29.957 20.118 1.00 65.43 H new ATOM 409 N SER A 31 -14.186 27.589 16.786 1.00 40.02 N ATOM 410 CA SER A 31 -13.893 27.110 15.441 1.00 33.12 C ATOM 411 C SER A 31 -12.944 25.916 15.484 1.00 55.12 C ATOM 412 O SER A 31 -11.899 25.962 16.137 1.00 2.12 O ATOM 413 CB SER A 31 -13.282 28.231 14.598 1.00 32.13 C ATOM 414 OG SER A 31 -12.018 28.621 15.108 1.00 43.10 O ATOM 0 H SER A 31 -14.043 28.590 16.917 1.00 40.02 H new ATOM 0 HA SER A 31 -14.830 26.792 14.984 1.00 33.12 H new ATOM 0 HB2 SER A 31 -13.174 27.897 13.566 1.00 32.13 H new ATOM 0 HB3 SER A 31 -13.954 29.089 14.587 1.00 32.13 H new ATOM 0 HG SER A 31 -11.643 27.892 15.645 1.00 43.10 H new ATOM 420 N LEU A 32 -13.313 24.848 14.787 1.00 3.33 N ATOM 421 CA LEU A 32 -12.495 23.640 14.744 1.00 2.31 C ATOM 422 C LEU A 32 -11.522 23.682 13.569 1.00 62.42 C ATOM 423 O LEU A 32 -11.449 24.676 12.847 1.00 32.24 O ATOM 424 CB LEU A 32 -13.386 22.401 14.639 1.00 60.43 C ATOM 425 CG LEU A 32 -13.277 21.398 15.787 1.00 33.13 C ATOM 426 CD1 LEU A 32 -14.367 21.645 16.819 1.00 15.14 C ATOM 427 CD2 LEU A 32 -13.354 19.972 15.259 1.00 12.42 C ATOM 0 H LEU A 32 -14.174 24.793 14.243 1.00 3.33 H new ATOM 0 HA LEU A 32 -11.918 23.588 15.667 1.00 2.31 H new ATOM 0 HB2 LEU A 32 -14.423 22.729 14.567 1.00 60.43 H new ATOM 0 HB3 LEU A 32 -13.149 21.885 13.708 1.00 60.43 H new ATOM 0 HG LEU A 32 -12.310 21.534 16.271 1.00 33.13 H new ATOM 0 HD11 LEU A 32 -14.273 20.921 17.628 1.00 15.14 H new ATOM 0 HD12 LEU A 32 -14.266 22.653 17.221 1.00 15.14 H new ATOM 0 HD13 LEU A 32 -15.344 21.538 16.349 1.00 15.14 H new ATOM 0 HD21 LEU A 32 -13.275 19.271 16.090 1.00 12.42 H new ATOM 0 HD22 LEU A 32 -14.306 19.824 14.749 1.00 12.42 H new ATOM 0 HD23 LEU A 32 -12.537 19.799 14.559 1.00 12.42 H new ATOM 439 N SER A 33 -10.778 22.597 13.385 1.00 22.42 N ATOM 440 CA SER A 33 -9.810 22.509 12.299 1.00 75.05 C ATOM 441 C SER A 33 -9.814 21.116 11.678 1.00 1.34 C ATOM 442 O SER A 33 -9.956 20.967 10.464 1.00 2.14 O ATOM 443 CB SER A 33 -8.407 22.847 12.811 1.00 33.52 C ATOM 444 OG SER A 33 -8.366 22.838 14.228 1.00 11.44 O ATOM 0 H SER A 33 -10.827 21.766 13.974 1.00 22.42 H new ATOM 0 HA SER A 33 -10.094 23.230 11.532 1.00 75.05 H new ATOM 0 HB2 SER A 33 -7.690 22.126 12.419 1.00 33.52 H new ATOM 0 HB3 SER A 33 -8.108 23.828 12.441 1.00 33.52 H new ATOM 0 HG SER A 33 -7.459 23.055 14.530 1.00 11.44 H new ATOM 450 N SER A 34 -9.659 20.099 12.518 1.00 34.53 N ATOM 451 CA SER A 34 -9.641 18.717 12.051 1.00 74.42 C ATOM 452 C SER A 34 -10.070 17.763 13.162 1.00 4.44 C ATOM 453 O SER A 34 -10.309 18.180 14.295 1.00 43.54 O ATOM 454 CB SER A 34 -8.244 18.343 11.553 1.00 2.25 C ATOM 455 OG SER A 34 -7.503 17.680 12.563 1.00 2.22 O ATOM 0 H SER A 34 -9.544 20.205 13.526 1.00 34.53 H new ATOM 0 HA SER A 34 -10.348 18.628 11.226 1.00 74.42 H new ATOM 0 HB2 SER A 34 -8.327 17.700 10.677 1.00 2.25 H new ATOM 0 HB3 SER A 34 -7.714 19.242 11.239 1.00 2.25 H new ATOM 0 HG SER A 34 -6.614 17.450 12.219 1.00 2.22 H new ATOM 461 N TRP A 35 -10.166 16.481 12.827 1.00 53.23 N ATOM 462 CA TRP A 35 -10.566 15.468 13.796 1.00 35.53 C ATOM 463 C TRP A 35 -9.676 14.233 13.691 1.00 32.01 C ATOM 464 O TRP A 35 -9.507 13.667 12.610 1.00 30.31 O ATOM 465 CB TRP A 35 -12.029 15.076 13.581 1.00 55.55 C ATOM 466 CG TRP A 35 -12.381 14.868 12.139 1.00 64.10 C ATOM 467 CD1 TRP A 35 -12.781 15.822 11.247 1.00 62.05 C ATOM 468 CD2 TRP A 35 -12.369 13.627 11.424 1.00 64.23 C ATOM 469 NE1 TRP A 35 -13.018 15.249 10.021 1.00 42.54 N ATOM 470 CE2 TRP A 35 -12.771 13.905 10.103 1.00 2.14 C ATOM 471 CE3 TRP A 35 -12.055 12.310 11.770 1.00 43.15 C ATOM 472 CZ2 TRP A 35 -12.868 12.912 9.131 1.00 42.22 C ATOM 473 CZ3 TRP A 35 -12.152 11.327 10.806 1.00 0.35 C ATOM 474 CH2 TRP A 35 -12.555 11.631 9.498 1.00 32.01 C ATOM 0 H TRP A 35 -9.973 16.119 11.893 1.00 53.23 H new ATOM 0 HA TRP A 35 -10.453 15.891 14.794 1.00 35.53 H new ATOM 0 HB2 TRP A 35 -12.238 14.161 14.135 1.00 55.55 H new ATOM 0 HB3 TRP A 35 -12.671 15.853 13.996 1.00 55.55 H new ATOM 0 HD1 TRP A 35 -12.894 16.872 11.472 1.00 62.05 H new ATOM 0 HE1 TRP A 35 -13.328 15.745 9.185 1.00 42.54 H new ATOM 0 HE3 TRP A 35 -11.742 12.066 12.774 1.00 43.15 H new ATOM 0 HZ2 TRP A 35 -13.179 13.145 8.123 1.00 42.22 H new ATOM 0 HZ3 TRP A 35 -11.913 10.306 11.064 1.00 0.35 H new ATOM 0 HH2 TRP A 35 -12.620 10.839 8.766 1.00 32.01 H new ATOM 485 N THR A 36 -9.108 13.820 14.820 1.00 24.41 N ATOM 486 CA THR A 36 -8.235 12.653 14.854 1.00 42.34 C ATOM 487 C THR A 36 -8.722 11.632 15.875 1.00 75.33 C ATOM 488 O THR A 36 -8.574 11.828 17.082 1.00 22.51 O ATOM 489 CB THR A 36 -6.784 13.047 15.189 1.00 61.24 C ATOM 490 OG1 THR A 36 -6.583 14.443 14.935 1.00 25.34 O ATOM 491 CG2 THR A 36 -5.798 12.231 14.369 1.00 32.13 C ATOM 0 H THR A 36 -9.237 14.277 15.723 1.00 24.41 H new ATOM 0 HA THR A 36 -8.262 12.208 13.859 1.00 42.34 H new ATOM 0 HB THR A 36 -6.611 12.842 16.245 1.00 61.24 H new ATOM 0 HG1 THR A 36 -5.659 14.685 15.152 1.00 25.34 H new ATOM 0 HG21 THR A 36 -4.780 12.527 14.623 1.00 32.13 H new ATOM 0 HG22 THR A 36 -5.933 11.172 14.587 1.00 32.13 H new ATOM 0 HG23 THR A 36 -5.973 12.408 13.308 1.00 32.13 H new ATOM 499 N VAL A 37 -9.301 10.541 15.385 1.00 43.44 N ATOM 500 CA VAL A 37 -9.808 9.487 16.255 1.00 72.44 C ATOM 501 C VAL A 37 -8.843 8.308 16.309 1.00 34.22 C ATOM 502 O VAL A 37 -8.742 7.532 15.359 1.00 3.42 O ATOM 503 CB VAL A 37 -11.188 8.988 15.788 1.00 14.32 C ATOM 504 CG1 VAL A 37 -11.816 8.090 16.843 1.00 43.44 C ATOM 505 CG2 VAL A 37 -12.097 10.163 15.463 1.00 53.00 C ATOM 0 H VAL A 37 -9.431 10.364 14.389 1.00 43.44 H new ATOM 0 HA VAL A 37 -9.906 9.918 17.251 1.00 72.44 H new ATOM 0 HB VAL A 37 -11.055 8.401 14.879 1.00 14.32 H new ATOM 0 HG11 VAL A 37 -12.791 7.747 16.496 1.00 43.44 H new ATOM 0 HG12 VAL A 37 -11.170 7.230 17.020 1.00 43.44 H new ATOM 0 HG13 VAL A 37 -11.938 8.649 17.771 1.00 43.44 H new ATOM 0 HG21 VAL A 37 -13.068 9.792 15.135 1.00 53.00 H new ATOM 0 HG22 VAL A 37 -12.226 10.780 16.352 1.00 53.00 H new ATOM 0 HG23 VAL A 37 -11.649 10.760 14.669 1.00 53.00 H new ATOM 515 N GLU A 38 -8.137 8.178 17.429 1.00 1.44 N ATOM 516 CA GLU A 38 -7.180 7.093 17.604 1.00 75.44 C ATOM 517 C GLU A 38 -7.601 6.177 18.751 1.00 51.33 C ATOM 518 O GLU A 38 -8.286 6.605 19.680 1.00 62.21 O ATOM 519 CB GLU A 38 -5.781 7.654 17.873 1.00 21.52 C ATOM 520 CG GLU A 38 -5.705 8.530 19.113 1.00 11.12 C ATOM 521 CD GLU A 38 -6.071 9.973 18.830 1.00 1.11 C ATOM 522 OE1 GLU A 38 -6.267 10.314 17.644 1.00 52.34 O ATOM 523 OE2 GLU A 38 -6.162 10.762 19.794 1.00 44.11 O ATOM 0 H GLU A 38 -8.210 8.810 18.226 1.00 1.44 H new ATOM 0 HA GLU A 38 -7.159 6.510 16.683 1.00 75.44 H new ATOM 0 HB2 GLU A 38 -5.081 6.826 17.980 1.00 21.52 H new ATOM 0 HB3 GLU A 38 -5.459 8.234 17.008 1.00 21.52 H new ATOM 0 HG2 GLU A 38 -6.374 8.132 19.876 1.00 11.12 H new ATOM 0 HG3 GLU A 38 -4.695 8.488 19.521 1.00 11.12 H new ATOM 530 N TRP A 39 -7.186 4.918 18.678 1.00 42.30 N ATOM 531 CA TRP A 39 -7.521 3.942 19.708 1.00 73.13 C ATOM 532 C TRP A 39 -6.449 2.861 19.803 1.00 44.51 C ATOM 533 O TRP A 39 -5.565 2.775 18.951 1.00 30.13 O ATOM 534 CB TRP A 39 -8.880 3.305 19.414 1.00 63.04 C ATOM 535 CG TRP A 39 -9.537 3.848 18.181 1.00 41.20 C ATOM 536 CD1 TRP A 39 -10.587 4.718 18.128 1.00 42.00 C ATOM 537 CD2 TRP A 39 -9.187 3.554 16.824 1.00 74.25 C ATOM 538 NE1 TRP A 39 -10.912 4.983 16.819 1.00 61.24 N ATOM 539 CE2 TRP A 39 -10.066 4.282 16.000 1.00 64.22 C ATOM 540 CE3 TRP A 39 -8.213 2.750 16.226 1.00 24.35 C ATOM 541 CZ2 TRP A 39 -10.002 4.227 14.611 1.00 13.05 C ATOM 542 CZ3 TRP A 39 -8.151 2.695 14.846 1.00 52.11 C ATOM 543 CH2 TRP A 39 -9.040 3.431 14.051 1.00 10.34 C ATOM 0 H TRP A 39 -6.617 4.549 17.916 1.00 42.30 H new ATOM 0 HA TRP A 39 -7.571 4.463 20.664 1.00 73.13 H new ATOM 0 HB2 TRP A 39 -8.752 2.228 19.304 1.00 63.04 H new ATOM 0 HB3 TRP A 39 -9.539 3.463 20.268 1.00 63.04 H new ATOM 0 HD1 TRP A 39 -11.089 5.137 18.988 1.00 42.00 H new ATOM 0 HE1 TRP A 39 -11.661 5.601 16.508 1.00 61.24 H new ATOM 0 HE3 TRP A 39 -7.521 2.182 16.831 1.00 24.35 H new ATOM 0 HZ2 TRP A 39 -10.687 4.792 13.997 1.00 13.05 H new ATOM 0 HZ3 TRP A 39 -7.405 2.074 14.373 1.00 52.11 H new ATOM 0 HH2 TRP A 39 -8.964 3.369 12.975 1.00 10.34 H new ATOM 554 N ASP A 40 -6.534 2.040 20.844 1.00 53.33 N ATOM 555 CA ASP A 40 -5.571 0.964 21.049 1.00 45.00 C ATOM 556 C ASP A 40 -6.123 -0.363 20.538 1.00 73.45 C ATOM 557 O ASP A 40 -7.245 -0.749 20.868 1.00 73.34 O ATOM 558 CB ASP A 40 -5.214 0.846 22.531 1.00 41.04 C ATOM 559 CG ASP A 40 -4.279 1.948 22.991 1.00 35.14 C ATOM 560 OD1 ASP A 40 -4.654 3.132 22.870 1.00 73.00 O ATOM 561 OD2 ASP A 40 -3.172 1.624 23.471 1.00 60.41 O ATOM 0 H ASP A 40 -7.259 2.099 21.559 1.00 53.33 H new ATOM 0 HA ASP A 40 -4.670 1.203 20.485 1.00 45.00 H new ATOM 0 HB2 ASP A 40 -6.127 0.877 23.125 1.00 41.04 H new ATOM 0 HB3 ASP A 40 -4.747 -0.122 22.713 1.00 41.04 H new ATOM 566 N PHE A 41 -5.328 -1.058 19.731 1.00 62.33 N ATOM 567 CA PHE A 41 -5.738 -2.341 19.173 1.00 22.43 C ATOM 568 C PHE A 41 -4.891 -3.477 19.742 1.00 45.22 C ATOM 569 O PHE A 41 -4.004 -4.014 19.080 1.00 64.02 O ATOM 570 CB PHE A 41 -5.623 -2.318 17.648 1.00 2.31 C ATOM 571 CG PHE A 41 -6.870 -1.843 16.959 1.00 23.10 C ATOM 572 CD1 PHE A 41 -7.596 -0.778 17.468 1.00 72.25 C ATOM 573 CD2 PHE A 41 -7.317 -2.460 15.802 1.00 31.34 C ATOM 574 CE1 PHE A 41 -8.744 -0.339 16.837 1.00 32.34 C ATOM 575 CE2 PHE A 41 -8.465 -2.026 15.166 1.00 13.22 C ATOM 576 CZ PHE A 41 -9.178 -0.963 15.684 1.00 1.14 C ATOM 0 H PHE A 41 -4.396 -0.754 19.449 1.00 62.33 H new ATOM 0 HA PHE A 41 -6.778 -2.514 19.449 1.00 22.43 H new ATOM 0 HB2 PHE A 41 -4.792 -1.672 17.364 1.00 2.31 H new ATOM 0 HB3 PHE A 41 -5.382 -3.321 17.295 1.00 2.31 H new ATOM 0 HD1 PHE A 41 -7.260 -0.285 18.369 1.00 72.25 H new ATOM 0 HD2 PHE A 41 -6.762 -3.290 15.392 1.00 31.34 H new ATOM 0 HE1 PHE A 41 -9.301 0.491 17.245 1.00 32.34 H new ATOM 0 HE2 PHE A 41 -8.804 -2.517 14.266 1.00 13.22 H new ATOM 0 HZ PHE A 41 -10.074 -0.620 15.188 1.00 1.14 H new ATOM 586 N PRO A 42 -5.172 -3.850 20.999 1.00 50.23 N ATOM 587 CA PRO A 42 -4.449 -4.924 21.685 1.00 14.30 C ATOM 588 C PRO A 42 -4.761 -6.299 21.103 1.00 64.23 C ATOM 589 O PRO A 42 -3.857 -7.075 20.794 1.00 51.23 O ATOM 590 CB PRO A 42 -4.952 -4.827 23.128 1.00 4.52 C ATOM 591 CG PRO A 42 -6.297 -4.195 23.016 1.00 40.02 C ATOM 592 CD PRO A 42 -6.217 -3.253 21.847 1.00 31.13 C ATOM 0 HA PRO A 42 -3.369 -4.813 21.588 1.00 14.30 H new ATOM 0 HB2 PRO A 42 -5.014 -5.811 23.593 1.00 4.52 H new ATOM 0 HB3 PRO A 42 -4.281 -4.226 23.742 1.00 4.52 H new ATOM 0 HG2 PRO A 42 -7.070 -4.948 22.858 1.00 40.02 H new ATOM 0 HG3 PRO A 42 -6.554 -3.661 23.931 1.00 40.02 H new ATOM 0 HD2 PRO A 42 -7.169 -3.183 21.322 1.00 31.13 H new ATOM 0 HD3 PRO A 42 -5.951 -2.244 22.162 1.00 31.13 H new ATOM 600 N THR A 43 -6.050 -6.594 20.954 1.00 74.14 N ATOM 601 CA THR A 43 -6.482 -7.874 20.409 1.00 73.12 C ATOM 602 C THR A 43 -6.181 -7.968 18.918 1.00 52.42 C ATOM 603 O THR A 43 -6.267 -6.976 18.194 1.00 31.55 O ATOM 604 CB THR A 43 -7.990 -8.099 20.633 1.00 13.25 C ATOM 605 OG1 THR A 43 -8.687 -6.851 20.552 1.00 23.35 O ATOM 606 CG2 THR A 43 -8.246 -8.743 21.986 1.00 3.12 C ATOM 0 H THR A 43 -6.812 -5.963 21.203 1.00 74.14 H new ATOM 0 HA THR A 43 -5.924 -8.647 20.938 1.00 73.12 H new ATOM 0 HB THR A 43 -8.355 -8.770 19.856 1.00 13.25 H new ATOM 0 HG1 THR A 43 -9.645 -7.002 20.694 1.00 23.35 H new ATOM 0 HG21 THR A 43 -9.317 -8.892 22.121 1.00 3.12 H new ATOM 0 HG22 THR A 43 -7.737 -9.706 22.033 1.00 3.12 H new ATOM 0 HG23 THR A 43 -7.867 -8.094 22.775 1.00 3.12 H new ATOM 614 N GLY A 44 -5.828 -9.166 18.464 1.00 54.33 N ATOM 615 CA GLY A 44 -5.520 -9.366 17.060 1.00 55.21 C ATOM 616 C GLY A 44 -6.471 -8.619 16.146 1.00 34.44 C ATOM 617 O GLY A 44 -7.565 -9.101 15.850 1.00 72.15 O ATOM 0 H GLY A 44 -5.750 -10.002 19.043 1.00 54.33 H new ATOM 0 HA2 GLY A 44 -4.499 -9.037 16.865 1.00 55.21 H new ATOM 0 HA3 GLY A 44 -5.561 -10.431 16.830 1.00 55.21 H new ATOM 621 N THR A 45 -6.054 -7.440 15.696 1.00 72.40 N ATOM 622 CA THR A 45 -6.878 -6.625 14.813 1.00 50.44 C ATOM 623 C THR A 45 -6.023 -5.661 13.998 1.00 34.03 C ATOM 624 O THR A 45 -4.923 -5.290 14.409 1.00 70.22 O ATOM 625 CB THR A 45 -7.925 -5.820 15.605 1.00 52.33 C ATOM 626 OG1 THR A 45 -8.584 -6.670 16.550 1.00 2.02 O ATOM 627 CG2 THR A 45 -8.953 -5.200 14.670 1.00 14.40 C ATOM 0 H THR A 45 -5.150 -7.028 15.929 1.00 72.40 H new ATOM 0 HA THR A 45 -7.392 -7.310 14.139 1.00 50.44 H new ATOM 0 HB THR A 45 -7.410 -5.019 16.135 1.00 52.33 H new ATOM 0 HG1 THR A 45 -8.002 -6.809 17.326 1.00 2.02 H new ATOM 0 HG21 THR A 45 -9.682 -4.637 15.253 1.00 14.40 H new ATOM 0 HG22 THR A 45 -8.452 -4.531 13.971 1.00 14.40 H new ATOM 0 HG23 THR A 45 -9.463 -5.988 14.116 1.00 14.40 H new ATOM 635 N LYS A 46 -6.534 -5.257 12.840 1.00 53.14 N ATOM 636 CA LYS A 46 -5.819 -4.334 11.968 1.00 54.04 C ATOM 637 C LYS A 46 -6.714 -3.858 10.828 1.00 74.33 C ATOM 638 O LYS A 46 -7.361 -4.661 10.157 1.00 31.32 O ATOM 639 CB LYS A 46 -4.566 -5.004 11.401 1.00 12.34 C ATOM 640 CG LYS A 46 -4.845 -6.321 10.698 1.00 12.32 C ATOM 641 CD LYS A 46 -4.139 -7.479 11.382 1.00 12.31 C ATOM 642 CE LYS A 46 -2.676 -7.562 10.971 1.00 44.42 C ATOM 643 NZ LYS A 46 -2.150 -8.951 11.070 1.00 53.51 N ATOM 0 H LYS A 46 -7.442 -5.555 12.484 1.00 53.14 H new ATOM 0 HA LYS A 46 -5.524 -3.468 12.561 1.00 54.04 H new ATOM 0 HB2 LYS A 46 -4.086 -4.322 10.699 1.00 12.34 H new ATOM 0 HB3 LYS A 46 -3.859 -5.178 12.212 1.00 12.34 H new ATOM 0 HG2 LYS A 46 -5.919 -6.506 10.683 1.00 12.32 H new ATOM 0 HG3 LYS A 46 -4.518 -6.257 9.660 1.00 12.32 H new ATOM 0 HD2 LYS A 46 -4.208 -7.361 12.463 1.00 12.31 H new ATOM 0 HD3 LYS A 46 -4.642 -8.413 11.131 1.00 12.31 H new ATOM 0 HE2 LYS A 46 -2.566 -7.204 9.947 1.00 44.42 H new ATOM 0 HE3 LYS A 46 -2.083 -6.903 11.605 1.00 44.42 H new ATOM 0 HZ1 LYS A 46 -1.151 -8.965 10.782 1.00 53.51 H new ATOM 0 HZ2 LYS A 46 -2.232 -9.284 12.052 1.00 53.51 H new ATOM 0 HZ3 LYS A 46 -2.699 -9.576 10.446 1.00 53.51 H new ATOM 657 N VAL A 47 -6.745 -2.546 10.614 1.00 11.30 N ATOM 658 CA VAL A 47 -7.559 -1.963 9.554 1.00 11.24 C ATOM 659 C VAL A 47 -6.925 -2.194 8.186 1.00 45.35 C ATOM 660 O VAL A 47 -5.985 -1.499 7.799 1.00 40.22 O ATOM 661 CB VAL A 47 -7.759 -0.451 9.767 1.00 11.21 C ATOM 662 CG1 VAL A 47 -8.555 0.149 8.619 1.00 5.35 C ATOM 663 CG2 VAL A 47 -8.447 -0.188 11.098 1.00 14.31 C ATOM 0 H VAL A 47 -6.216 -1.867 11.161 1.00 11.30 H new ATOM 0 HA VAL A 47 -8.529 -2.458 9.590 1.00 11.24 H new ATOM 0 HB VAL A 47 -6.780 0.028 9.788 1.00 11.21 H new ATOM 0 HG11 VAL A 47 -8.686 1.218 8.787 1.00 5.35 H new ATOM 0 HG12 VAL A 47 -8.019 -0.008 7.683 1.00 5.35 H new ATOM 0 HG13 VAL A 47 -9.531 -0.332 8.563 1.00 5.35 H new ATOM 0 HG21 VAL A 47 -8.581 0.885 11.233 1.00 14.31 H new ATOM 0 HG22 VAL A 47 -9.420 -0.679 11.108 1.00 14.31 H new ATOM 0 HG23 VAL A 47 -7.834 -0.582 11.909 1.00 14.31 H new ATOM 673 N THR A 48 -7.448 -3.174 7.456 1.00 43.21 N ATOM 674 CA THR A 48 -6.934 -3.497 6.131 1.00 2.43 C ATOM 675 C THR A 48 -7.118 -2.328 5.170 1.00 44.53 C ATOM 676 O THR A 48 -6.201 -1.969 4.431 1.00 72.24 O ATOM 677 CB THR A 48 -7.630 -4.741 5.546 1.00 12.20 C ATOM 678 OG1 THR A 48 -7.387 -5.877 6.384 1.00 44.14 O ATOM 679 CG2 THR A 48 -7.130 -5.028 4.138 1.00 44.31 C ATOM 0 H THR A 48 -8.227 -3.758 7.760 1.00 43.21 H new ATOM 0 HA THR A 48 -5.870 -3.705 6.247 1.00 2.43 H new ATOM 0 HB THR A 48 -8.701 -4.544 5.502 1.00 12.20 H new ATOM 0 HG1 THR A 48 -7.834 -6.663 6.007 1.00 44.14 H new ATOM 0 HG21 THR A 48 -7.635 -5.910 3.745 1.00 44.31 H new ATOM 0 HG22 THR A 48 -7.341 -4.173 3.496 1.00 44.31 H new ATOM 0 HG23 THR A 48 -6.055 -5.206 4.163 1.00 44.31 H new ATOM 687 N SER A 49 -8.308 -1.736 5.185 1.00 24.23 N ATOM 688 CA SER A 49 -8.613 -0.609 4.312 1.00 73.15 C ATOM 689 C SER A 49 -9.542 0.381 5.008 1.00 11.14 C ATOM 690 O SER A 49 -10.372 -0.004 5.831 1.00 2.51 O ATOM 691 CB SER A 49 -9.254 -1.101 3.013 1.00 41.40 C ATOM 692 OG SER A 49 -8.302 -1.158 1.965 1.00 24.24 O ATOM 0 H SER A 49 -9.077 -2.019 5.793 1.00 24.23 H new ATOM 0 HA SER A 49 -7.678 -0.100 4.077 1.00 73.15 H new ATOM 0 HB2 SER A 49 -9.688 -2.089 3.169 1.00 41.40 H new ATOM 0 HB3 SER A 49 -10.070 -0.436 2.732 1.00 41.40 H new ATOM 0 HG SER A 49 -8.736 -1.477 1.146 1.00 24.24 H new ATOM 698 N ALA A 50 -9.396 1.658 4.670 1.00 72.34 N ATOM 699 CA ALA A 50 -10.222 2.703 5.260 1.00 43.32 C ATOM 700 C ALA A 50 -10.695 3.693 4.200 1.00 22.24 C ATOM 701 O ALA A 50 -9.926 4.099 3.330 1.00 51.21 O ATOM 702 CB ALA A 50 -9.454 3.429 6.355 1.00 22.53 C ATOM 0 H ALA A 50 -8.713 1.993 3.991 1.00 72.34 H new ATOM 0 HA ALA A 50 -11.101 2.231 5.699 1.00 43.32 H new ATOM 0 HB1 ALA A 50 -10.084 4.207 6.787 1.00 22.53 H new ATOM 0 HB2 ALA A 50 -9.170 2.719 7.132 1.00 22.53 H new ATOM 0 HB3 ALA A 50 -8.557 3.881 5.932 1.00 22.53 H new ATOM 708 N TRP A 51 -11.965 4.074 4.279 1.00 74.41 N ATOM 709 CA TRP A 51 -12.541 5.015 3.325 1.00 54.41 C ATOM 710 C TRP A 51 -13.044 6.268 4.033 1.00 51.13 C ATOM 711 O TRP A 51 -13.486 6.209 5.180 1.00 60.12 O ATOM 712 CB TRP A 51 -13.686 4.357 2.554 1.00 35.44 C ATOM 713 CG TRP A 51 -14.654 3.629 3.437 1.00 25.24 C ATOM 714 CD1 TRP A 51 -15.678 4.175 4.156 1.00 43.42 C ATOM 715 CD2 TRP A 51 -14.689 2.220 3.694 1.00 13.30 C ATOM 716 NE1 TRP A 51 -16.347 3.193 4.845 1.00 14.12 N ATOM 717 CE2 TRP A 51 -15.760 1.984 4.578 1.00 52.22 C ATOM 718 CE3 TRP A 51 -13.920 1.136 3.262 1.00 33.51 C ATOM 719 CZ2 TRP A 51 -16.078 0.709 5.037 1.00 43.30 C ATOM 720 CZ3 TRP A 51 -14.237 -0.129 3.719 1.00 40.43 C ATOM 721 CH2 TRP A 51 -15.309 -0.334 4.598 1.00 21.31 C ATOM 0 H TRP A 51 -12.615 3.746 4.993 1.00 74.41 H new ATOM 0 HA TRP A 51 -11.759 5.305 2.623 1.00 54.41 H new ATOM 0 HB2 TRP A 51 -14.222 5.121 1.991 1.00 35.44 H new ATOM 0 HB3 TRP A 51 -13.271 3.658 1.827 1.00 35.44 H new ATOM 0 HD1 TRP A 51 -15.926 5.226 4.180 1.00 43.42 H new ATOM 0 HE1 TRP A 51 -17.150 3.340 5.456 1.00 14.12 H new ATOM 0 HE3 TRP A 51 -13.093 1.284 2.583 1.00 33.51 H new ATOM 0 HZ2 TRP A 51 -16.903 0.549 5.716 1.00 43.30 H new ATOM 0 HZ3 TRP A 51 -13.649 -0.974 3.393 1.00 40.43 H new ATOM 0 HH2 TRP A 51 -15.533 -1.335 4.936 1.00 21.31 H new ATOM 732 N ASP A 52 -12.975 7.401 3.342 1.00 14.22 N ATOM 733 CA ASP A 52 -13.425 8.669 3.905 1.00 31.12 C ATOM 734 C ASP A 52 -12.566 9.068 5.101 1.00 50.32 C ATOM 735 O ASP A 52 -12.933 9.952 5.874 1.00 62.31 O ATOM 736 CB ASP A 52 -14.892 8.572 4.325 1.00 65.12 C ATOM 737 CG ASP A 52 -15.749 9.646 3.685 1.00 44.01 C ATOM 738 OD1 ASP A 52 -15.357 10.830 3.741 1.00 33.11 O ATOM 739 OD2 ASP A 52 -16.814 9.304 3.128 1.00 34.43 O ATOM 0 H ASP A 52 -12.612 7.467 2.391 1.00 14.22 H new ATOM 0 HA ASP A 52 -13.325 9.436 3.137 1.00 31.12 H new ATOM 0 HB2 ASP A 52 -15.281 7.591 4.053 1.00 65.12 H new ATOM 0 HB3 ASP A 52 -14.963 8.653 5.410 1.00 65.12 H new ATOM 744 N ALA A 53 -11.421 8.410 5.247 1.00 15.41 N ATOM 745 CA ALA A 53 -10.509 8.696 6.348 1.00 2.53 C ATOM 746 C ALA A 53 -9.196 7.938 6.184 1.00 41.24 C ATOM 747 O ALA A 53 -9.189 6.746 5.878 1.00 22.43 O ATOM 748 CB ALA A 53 -11.161 8.348 7.677 1.00 34.01 C ATOM 0 H ALA A 53 -11.102 7.675 4.616 1.00 15.41 H new ATOM 0 HA ALA A 53 -10.285 9.763 6.335 1.00 2.53 H new ATOM 0 HB1 ALA A 53 -10.469 8.567 8.490 1.00 34.01 H new ATOM 0 HB2 ALA A 53 -12.068 8.940 7.803 1.00 34.01 H new ATOM 0 HB3 ALA A 53 -11.414 7.288 7.691 1.00 34.01 H new ATOM 754 N THR A 54 -8.084 8.638 6.390 1.00 63.44 N ATOM 755 CA THR A 54 -6.766 8.032 6.264 1.00 35.41 C ATOM 756 C THR A 54 -6.336 7.374 7.571 1.00 53.52 C ATOM 757 O THR A 54 -5.791 8.032 8.459 1.00 23.23 O ATOM 758 CB THR A 54 -5.706 9.071 5.853 1.00 71.42 C ATOM 759 OG1 THR A 54 -6.036 9.627 4.576 1.00 55.32 O ATOM 760 CG2 THR A 54 -4.323 8.440 5.795 1.00 71.43 C ATOM 0 H THR A 54 -8.071 9.626 6.645 1.00 63.44 H new ATOM 0 HA THR A 54 -6.841 7.273 5.485 1.00 35.41 H new ATOM 0 HB THR A 54 -5.695 9.863 6.602 1.00 71.42 H new ATOM 0 HG1 THR A 54 -5.359 10.288 4.322 1.00 55.32 H new ATOM 0 HG21 THR A 54 -3.591 9.193 5.503 1.00 71.43 H new ATOM 0 HG22 THR A 54 -4.063 8.043 6.776 1.00 71.43 H new ATOM 0 HG23 THR A 54 -4.323 7.631 5.065 1.00 71.43 H new ATOM 768 N VAL A 55 -6.582 6.073 7.683 1.00 71.13 N ATOM 769 CA VAL A 55 -6.219 5.326 8.882 1.00 0.15 C ATOM 770 C VAL A 55 -4.778 4.832 8.805 1.00 23.23 C ATOM 771 O VAL A 55 -4.324 4.366 7.759 1.00 71.02 O ATOM 772 CB VAL A 55 -7.153 4.121 9.096 1.00 33.53 C ATOM 773 CG1 VAL A 55 -6.734 3.333 10.328 1.00 14.33 C ATOM 774 CG2 VAL A 55 -8.597 4.581 9.214 1.00 25.54 C ATOM 0 H VAL A 55 -7.031 5.514 6.958 1.00 71.13 H new ATOM 0 HA VAL A 55 -6.322 6.009 9.725 1.00 0.15 H new ATOM 0 HB VAL A 55 -7.074 3.464 8.230 1.00 33.53 H new ATOM 0 HG11 VAL A 55 -7.406 2.485 10.463 1.00 14.33 H new ATOM 0 HG12 VAL A 55 -5.714 2.971 10.199 1.00 14.33 H new ATOM 0 HG13 VAL A 55 -6.782 3.977 11.206 1.00 14.33 H new ATOM 0 HG21 VAL A 55 -9.243 3.716 9.365 1.00 25.54 H new ATOM 0 HG22 VAL A 55 -8.695 5.259 10.062 1.00 25.54 H new ATOM 0 HG23 VAL A 55 -8.890 5.098 8.300 1.00 25.54 H new ATOM 784 N THR A 56 -4.063 4.935 9.920 1.00 51.05 N ATOM 785 CA THR A 56 -2.674 4.500 9.981 1.00 12.13 C ATOM 786 C THR A 56 -2.443 3.559 11.158 1.00 12.35 C ATOM 787 O THR A 56 -3.317 3.383 12.005 1.00 22.14 O ATOM 788 CB THR A 56 -1.714 5.699 10.101 1.00 74.41 C ATOM 789 OG1 THR A 56 -0.358 5.255 9.978 1.00 43.34 O ATOM 790 CG2 THR A 56 -1.901 6.410 11.434 1.00 14.14 C ATOM 0 H THR A 56 -4.424 5.317 10.794 1.00 51.05 H new ATOM 0 HA THR A 56 -2.468 3.971 9.051 1.00 12.13 H new ATOM 0 HB THR A 56 -1.941 6.400 9.298 1.00 74.41 H new ATOM 0 HG1 THR A 56 0.246 6.023 10.054 1.00 43.34 H new ATOM 0 HG21 THR A 56 -1.213 7.253 11.496 1.00 14.14 H new ATOM 0 HG22 THR A 56 -2.926 6.772 11.513 1.00 14.14 H new ATOM 0 HG23 THR A 56 -1.698 5.715 12.249 1.00 14.14 H new ATOM 798 N ASN A 57 -1.259 2.955 11.204 1.00 42.11 N ATOM 799 CA ASN A 57 -0.914 2.031 12.278 1.00 55.51 C ATOM 800 C ASN A 57 0.502 2.292 12.785 1.00 63.23 C ATOM 801 O ASN A 57 1.331 2.862 12.077 1.00 24.03 O ATOM 802 CB ASN A 57 -1.036 0.586 11.793 1.00 33.23 C ATOM 803 CG ASN A 57 0.215 0.107 11.082 1.00 31.13 C ATOM 804 OD1 ASN A 57 1.211 -0.237 11.718 1.00 53.52 O ATOM 805 ND2 ASN A 57 0.168 0.082 9.755 1.00 52.30 N ATOM 0 H ASN A 57 -0.523 3.089 10.510 1.00 42.11 H new ATOM 0 HA ASN A 57 -1.611 2.191 13.101 1.00 55.51 H new ATOM 0 HB2 ASN A 57 -1.238 -0.064 12.644 1.00 33.23 H new ATOM 0 HB3 ASN A 57 -1.888 0.503 11.119 1.00 33.23 H new ATOM 0 HD21 ASN A 57 0.979 -0.232 9.222 1.00 52.30 H new ATOM 0 HD22 ASN A 57 -0.679 0.376 9.269 1.00 52.30 H new ATOM 812 N SER A 58 0.769 1.870 14.017 1.00 71.12 N ATOM 813 CA SER A 58 2.083 2.060 14.622 1.00 3.30 C ATOM 814 C SER A 58 2.293 1.091 15.781 1.00 1.34 C ATOM 815 O SER A 58 2.043 1.425 16.938 1.00 41.11 O ATOM 816 CB SER A 58 2.237 3.502 15.112 1.00 35.23 C ATOM 817 OG SER A 58 2.872 4.307 14.135 1.00 74.14 O ATOM 0 H SER A 58 0.094 1.395 14.616 1.00 71.12 H new ATOM 0 HA SER A 58 2.839 1.859 13.863 1.00 3.30 H new ATOM 0 HB2 SER A 58 1.257 3.916 15.348 1.00 35.23 H new ATOM 0 HB3 SER A 58 2.819 3.516 16.034 1.00 35.23 H new ATOM 0 HG SER A 58 2.562 4.045 13.243 1.00 74.14 H new ATOM 823 N GLY A 59 2.755 -0.115 15.460 1.00 44.34 N ATOM 824 CA GLY A 59 2.991 -1.114 16.484 1.00 21.44 C ATOM 825 C GLY A 59 1.705 -1.710 17.021 1.00 40.21 C ATOM 826 O GLY A 59 1.194 -2.691 16.481 1.00 42.21 O ATOM 0 H GLY A 59 2.969 -0.416 14.509 1.00 44.34 H new ATOM 0 HA2 GLY A 59 3.613 -1.910 16.074 1.00 21.44 H new ATOM 0 HA3 GLY A 59 3.549 -0.664 17.305 1.00 21.44 H new ATOM 830 N ASP A 60 1.181 -1.117 18.088 1.00 3.23 N ATOM 831 CA ASP A 60 -0.054 -1.594 18.699 1.00 22.44 C ATOM 832 C ASP A 60 -1.073 -0.466 18.819 1.00 43.14 C ATOM 833 O ASP A 60 -2.122 -0.626 19.445 1.00 71.45 O ATOM 834 CB ASP A 60 0.231 -2.190 20.078 1.00 60.32 C ATOM 835 CG ASP A 60 0.727 -3.620 20.000 1.00 73.14 C ATOM 836 OD1 ASP A 60 1.826 -3.838 19.447 1.00 34.13 O ATOM 837 OD2 ASP A 60 0.018 -4.522 20.492 1.00 22.44 O ATOM 0 H ASP A 60 1.592 -0.305 18.548 1.00 3.23 H new ATOM 0 HA ASP A 60 -0.472 -2.369 18.056 1.00 22.44 H new ATOM 0 HB2 ASP A 60 0.975 -1.578 20.588 1.00 60.32 H new ATOM 0 HB3 ASP A 60 -0.677 -2.156 20.680 1.00 60.32 H new ATOM 842 N HIS A 61 -0.758 0.676 18.217 1.00 42.42 N ATOM 843 CA HIS A 61 -1.646 1.833 18.257 1.00 52.13 C ATOM 844 C HIS A 61 -2.081 2.233 16.851 1.00 1.01 C ATOM 845 O HIS A 61 -1.323 2.089 15.892 1.00 21.12 O ATOM 846 CB HIS A 61 -0.953 3.010 18.944 1.00 45.15 C ATOM 847 CG HIS A 61 -1.737 4.285 18.883 1.00 31.22 C ATOM 848 ND1 HIS A 61 -2.477 4.765 19.944 1.00 53.14 N ATOM 849 CD2 HIS A 61 -1.894 5.181 17.881 1.00 60.43 C ATOM 850 CE1 HIS A 61 -3.055 5.901 19.596 1.00 31.23 C ATOM 851 NE2 HIS A 61 -2.718 6.176 18.349 1.00 72.42 N ATOM 0 H HIS A 61 0.106 0.825 17.695 1.00 42.42 H new ATOM 0 HA HIS A 61 -2.533 1.560 18.828 1.00 52.13 H new ATOM 0 HB2 HIS A 61 -0.771 2.755 19.988 1.00 45.15 H new ATOM 0 HB3 HIS A 61 0.020 3.169 18.480 1.00 45.15 H new ATOM 0 HD2 HIS A 61 -1.454 5.124 16.897 1.00 60.43 H new ATOM 0 HE1 HIS A 61 -3.695 6.503 20.225 1.00 31.23 H new ATOM 0 HE2 HIS A 61 -3.020 6.994 17.820 1.00 72.42 H new ATOM 859 N TRP A 62 -3.306 2.734 16.736 1.00 71.15 N ATOM 860 CA TRP A 62 -3.842 3.154 15.446 1.00 74.11 C ATOM 861 C TRP A 62 -4.450 4.549 15.538 1.00 13.31 C ATOM 862 O TRP A 62 -4.824 5.006 16.619 1.00 30.13 O ATOM 863 CB TRP A 62 -4.894 2.156 14.960 1.00 44.34 C ATOM 864 CG TRP A 62 -4.314 0.840 14.539 1.00 0.52 C ATOM 865 CD1 TRP A 62 -3.751 -0.105 15.348 1.00 25.20 C ATOM 866 CD2 TRP A 62 -4.238 0.325 13.205 1.00 2.11 C ATOM 867 NE1 TRP A 62 -3.330 -1.177 14.598 1.00 44.31 N ATOM 868 CE2 TRP A 62 -3.619 -0.938 13.280 1.00 55.14 C ATOM 869 CE3 TRP A 62 -4.635 0.806 11.954 1.00 10.04 C ATOM 870 CZ2 TRP A 62 -3.387 -1.721 12.153 1.00 34.41 C ATOM 871 CZ3 TRP A 62 -4.404 0.027 10.837 1.00 24.14 C ATOM 872 CH2 TRP A 62 -3.786 -1.226 10.942 1.00 71.22 C ATOM 0 H TRP A 62 -3.946 2.859 17.520 1.00 71.15 H new ATOM 0 HA TRP A 62 -3.021 3.183 14.730 1.00 74.11 H new ATOM 0 HB2 TRP A 62 -5.619 1.987 15.756 1.00 44.34 H new ATOM 0 HB3 TRP A 62 -5.437 2.591 14.121 1.00 44.34 H new ATOM 0 HD1 TRP A 62 -3.651 -0.022 16.420 1.00 25.20 H new ATOM 0 HE1 TRP A 62 -2.876 -2.014 14.963 1.00 44.31 H new ATOM 0 HE3 TRP A 62 -5.114 1.770 11.862 1.00 10.04 H new ATOM 0 HZ2 TRP A 62 -2.909 -2.686 12.232 1.00 34.41 H new ATOM 0 HZ3 TRP A 62 -4.705 0.390 9.865 1.00 24.14 H new ATOM 0 HH2 TRP A 62 -3.622 -1.812 10.050 1.00 71.22 H new ATOM 883 N THR A 63 -4.547 5.225 14.397 1.00 32.44 N ATOM 884 CA THR A 63 -5.109 6.567 14.349 1.00 45.14 C ATOM 885 C THR A 63 -5.726 6.857 12.985 1.00 1.00 C ATOM 886 O THR A 63 -5.264 6.350 11.964 1.00 52.02 O ATOM 887 CB THR A 63 -4.041 7.635 14.653 1.00 10.02 C ATOM 888 OG1 THR A 63 -3.412 7.354 15.909 1.00 42.11 O ATOM 889 CG2 THR A 63 -4.659 9.025 14.689 1.00 72.00 C ATOM 0 H THR A 63 -4.243 4.863 13.493 1.00 32.44 H new ATOM 0 HA THR A 63 -5.885 6.611 15.113 1.00 45.14 H new ATOM 0 HB THR A 63 -3.295 7.608 13.859 1.00 10.02 H new ATOM 0 HG1 THR A 63 -2.733 8.036 16.095 1.00 42.11 H new ATOM 0 HG21 THR A 63 -3.885 9.762 14.905 1.00 72.00 H new ATOM 0 HG22 THR A 63 -5.112 9.247 13.723 1.00 72.00 H new ATOM 0 HG23 THR A 63 -5.424 9.063 15.465 1.00 72.00 H new ATOM 897 N ALA A 64 -6.772 7.676 12.976 1.00 1.31 N ATOM 898 CA ALA A 64 -7.451 8.036 11.737 1.00 34.42 C ATOM 899 C ALA A 64 -7.632 9.546 11.628 1.00 31.35 C ATOM 900 O ALA A 64 -8.030 10.206 12.588 1.00 35.33 O ATOM 901 CB ALA A 64 -8.798 7.333 11.650 1.00 53.41 C ATOM 0 H ALA A 64 -7.168 8.103 13.813 1.00 1.31 H new ATOM 0 HA ALA A 64 -6.829 7.711 10.903 1.00 34.42 H new ATOM 0 HB1 ALA A 64 -9.294 7.611 10.720 1.00 53.41 H new ATOM 0 HB2 ALA A 64 -8.647 6.254 11.672 1.00 53.41 H new ATOM 0 HB3 ALA A 64 -9.419 7.630 12.495 1.00 53.41 H new ATOM 907 N LYS A 65 -7.336 10.089 10.452 1.00 44.10 N ATOM 908 CA LYS A 65 -7.467 11.522 10.216 1.00 12.34 C ATOM 909 C LYS A 65 -7.909 11.800 8.782 1.00 74.41 C ATOM 910 O LYS A 65 -7.773 10.947 7.906 1.00 4.41 O ATOM 911 CB LYS A 65 -6.140 12.229 10.497 1.00 73.21 C ATOM 912 CG LYS A 65 -4.921 11.355 10.253 1.00 43.30 C ATOM 913 CD LYS A 65 -4.833 10.916 8.802 1.00 14.24 C ATOM 914 CE LYS A 65 -4.770 12.109 7.860 1.00 64.31 C ATOM 915 NZ LYS A 65 -3.662 13.038 8.216 1.00 2.14 N ATOM 0 H LYS A 65 -7.004 9.558 9.647 1.00 44.10 H new ATOM 0 HA LYS A 65 -8.229 11.908 10.894 1.00 12.34 H new ATOM 0 HB2 LYS A 65 -6.071 13.117 9.869 1.00 73.21 H new ATOM 0 HB3 LYS A 65 -6.131 12.569 11.533 1.00 73.21 H new ATOM 0 HG2 LYS A 65 -4.019 11.903 10.524 1.00 43.30 H new ATOM 0 HG3 LYS A 65 -4.966 10.477 10.898 1.00 43.30 H new ATOM 0 HD2 LYS A 65 -3.949 10.294 8.662 1.00 14.24 H new ATOM 0 HD3 LYS A 65 -5.698 10.301 8.554 1.00 14.24 H new ATOM 0 HE2 LYS A 65 -4.635 11.757 6.837 1.00 64.31 H new ATOM 0 HE3 LYS A 65 -5.718 12.646 7.890 1.00 64.31 H new ATOM 0 HZ1 LYS A 65 -3.566 13.763 7.476 1.00 2.14 H new ATOM 0 HZ2 LYS A 65 -3.872 13.497 9.125 1.00 2.14 H new ATOM 0 HZ3 LYS A 65 -2.773 12.504 8.295 1.00 2.14 H new ATOM 929 N ASN A 66 -8.437 12.997 8.552 1.00 53.51 N ATOM 930 CA ASN A 66 -8.897 13.387 7.224 1.00 71.43 C ATOM 931 C ASN A 66 -8.365 14.766 6.847 1.00 43.21 C ATOM 932 O ASN A 66 -7.785 14.949 5.777 1.00 23.42 O ATOM 933 CB ASN A 66 -10.426 13.386 7.172 1.00 1.04 C ATOM 934 CG ASN A 66 -10.955 13.480 5.753 1.00 25.53 C ATOM 935 OD1 ASN A 66 -11.113 12.468 5.070 1.00 2.45 O ATOM 936 ND2 ASN A 66 -11.234 14.698 5.305 1.00 51.33 N ATOM 0 H ASN A 66 -8.557 13.714 9.267 1.00 53.51 H new ATOM 0 HA ASN A 66 -8.515 12.661 6.506 1.00 71.43 H new ATOM 0 HB2 ASN A 66 -10.802 12.475 7.638 1.00 1.04 H new ATOM 0 HB3 ASN A 66 -10.808 14.224 7.756 1.00 1.04 H new ATOM 0 HD21 ASN A 66 -11.595 14.823 4.359 1.00 51.33 H new ATOM 0 HD22 ASN A 66 -11.087 15.509 5.906 1.00 51.33 H new ATOM 943 N VAL A 67 -8.567 15.735 7.735 1.00 51.32 N ATOM 944 CA VAL A 67 -8.107 17.098 7.496 1.00 53.24 C ATOM 945 C VAL A 67 -6.789 17.367 8.215 1.00 62.52 C ATOM 946 O VAL A 67 -6.577 18.449 8.761 1.00 61.41 O ATOM 947 CB VAL A 67 -9.151 18.132 7.958 1.00 13.12 C ATOM 948 CG1 VAL A 67 -9.156 19.336 7.029 1.00 52.14 C ATOM 949 CG2 VAL A 67 -10.532 17.498 8.030 1.00 10.13 C ATOM 0 H VAL A 67 -9.046 15.601 8.626 1.00 51.32 H new ATOM 0 HA VAL A 67 -7.959 17.198 6.421 1.00 53.24 H new ATOM 0 HB VAL A 67 -8.881 18.475 8.957 1.00 13.12 H new ATOM 0 HG11 VAL A 67 -9.900 20.056 7.371 1.00 52.14 H new ATOM 0 HG12 VAL A 67 -8.171 19.802 7.032 1.00 52.14 H new ATOM 0 HG13 VAL A 67 -9.401 19.014 6.017 1.00 52.14 H new ATOM 0 HG21 VAL A 67 -11.257 18.242 8.358 1.00 10.13 H new ATOM 0 HG22 VAL A 67 -10.814 17.126 7.045 1.00 10.13 H new ATOM 0 HG23 VAL A 67 -10.516 16.670 8.739 1.00 10.13 H new ATOM 959 N GLY A 68 -5.905 16.373 8.213 1.00 5.22 N ATOM 960 CA GLY A 68 -4.620 16.522 8.867 1.00 53.23 C ATOM 961 C GLY A 68 -3.645 17.348 8.051 1.00 1.22 C ATOM 962 O GLY A 68 -2.512 17.579 8.472 1.00 12.44 O ATOM 0 H GLY A 68 -6.057 15.467 7.769 1.00 5.22 H new ATOM 0 HA2 GLY A 68 -4.764 16.992 9.840 1.00 53.23 H new ATOM 0 HA3 GLY A 68 -4.192 15.536 9.049 1.00 53.23 H new ATOM 966 N TRP A 69 -4.086 17.793 6.880 1.00 43.20 N ATOM 967 CA TRP A 69 -3.245 18.597 6.001 1.00 52.53 C ATOM 968 C TRP A 69 -3.790 20.014 5.872 1.00 50.45 C ATOM 969 O TRP A 69 -3.046 20.952 5.585 1.00 62.21 O ATOM 970 CB TRP A 69 -3.146 17.947 4.620 1.00 44.10 C ATOM 971 CG TRP A 69 -4.412 17.269 4.191 1.00 15.23 C ATOM 972 CD1 TRP A 69 -4.741 15.956 4.376 1.00 63.02 C ATOM 973 CD2 TRP A 69 -5.515 17.868 3.503 1.00 61.55 C ATOM 974 NE1 TRP A 69 -5.983 15.705 3.845 1.00 31.25 N ATOM 975 CE2 TRP A 69 -6.479 16.861 3.305 1.00 23.13 C ATOM 976 CE3 TRP A 69 -5.783 19.158 3.039 1.00 65.23 C ATOM 977 CZ2 TRP A 69 -7.689 17.106 2.660 1.00 71.23 C ATOM 978 CZ3 TRP A 69 -6.985 19.399 2.399 1.00 52.55 C ATOM 979 CH2 TRP A 69 -7.926 18.378 2.216 1.00 13.45 C ATOM 0 H TRP A 69 -5.022 17.611 6.517 1.00 43.20 H new ATOM 0 HA TRP A 69 -2.249 18.650 6.441 1.00 52.53 H new ATOM 0 HB2 TRP A 69 -2.883 18.709 3.886 1.00 44.10 H new ATOM 0 HB3 TRP A 69 -2.336 17.218 4.627 1.00 44.10 H new ATOM 0 HD1 TRP A 69 -4.117 15.224 4.867 1.00 63.02 H new ATOM 0 HE1 TRP A 69 -6.459 14.803 3.852 1.00 31.25 H new ATOM 0 HE3 TRP A 69 -5.065 19.953 3.178 1.00 65.23 H new ATOM 0 HZ2 TRP A 69 -8.415 16.319 2.515 1.00 71.23 H new ATOM 0 HZ3 TRP A 69 -7.202 20.392 2.034 1.00 52.55 H new ATOM 0 HH2 TRP A 69 -8.857 18.599 1.715 1.00 13.45 H new ATOM 990 N ASN A 70 -5.094 20.164 6.085 1.00 73.33 N ATOM 991 CA ASN A 70 -5.739 21.469 5.992 1.00 55.24 C ATOM 992 C ASN A 70 -6.128 21.983 7.375 1.00 41.52 C ATOM 993 O ASN A 70 -5.872 23.138 7.713 1.00 33.41 O ATOM 994 CB ASN A 70 -6.978 21.386 5.098 1.00 72.05 C ATOM 995 CG ASN A 70 -6.806 22.148 3.798 1.00 74.41 C ATOM 996 OD1 ASN A 70 -5.691 22.299 3.298 1.00 3.01 O ATOM 997 ND2 ASN A 70 -7.912 22.631 3.246 1.00 53.00 N ATOM 0 H ASN A 70 -5.724 19.398 6.323 1.00 73.33 H new ATOM 0 HA ASN A 70 -5.028 22.168 5.551 1.00 55.24 H new ATOM 0 HB2 ASN A 70 -7.194 20.341 4.877 1.00 72.05 H new ATOM 0 HB3 ASN A 70 -7.839 21.782 5.637 1.00 72.05 H new ATOM 0 HD21 ASN A 70 -7.860 23.152 2.371 1.00 53.00 H new ATOM 0 HD22 ASN A 70 -8.815 22.481 3.697 1.00 53.00 H new ATOM 1004 N GLY A 71 -6.749 21.117 8.170 1.00 3.40 N ATOM 1005 CA GLY A 71 -7.163 21.501 9.506 1.00 41.13 C ATOM 1006 C GLY A 71 -7.957 22.793 9.517 1.00 42.14 C ATOM 1007 O GLY A 71 -7.593 23.748 10.205 1.00 44.43 O ATOM 0 H GLY A 71 -6.973 20.156 7.912 1.00 3.40 H new ATOM 0 HA2 GLY A 71 -7.766 20.703 9.940 1.00 41.13 H new ATOM 0 HA3 GLY A 71 -6.282 21.614 10.138 1.00 41.13 H new ATOM 1011 N THR A 72 -9.044 22.825 8.753 1.00 23.21 N ATOM 1012 CA THR A 72 -9.889 24.010 8.676 1.00 22.21 C ATOM 1013 C THR A 72 -11.360 23.628 8.554 1.00 41.53 C ATOM 1014 O THR A 72 -11.856 23.371 7.457 1.00 5.21 O ATOM 1015 CB THR A 72 -9.501 24.901 7.480 1.00 33.13 C ATOM 1016 OG1 THR A 72 -8.483 24.259 6.703 1.00 4.21 O ATOM 1017 CG2 THR A 72 -9.003 26.257 7.956 1.00 5.01 C ATOM 0 H THR A 72 -9.360 22.044 8.179 1.00 23.21 H new ATOM 0 HA THR A 72 -9.736 24.568 9.600 1.00 22.21 H new ATOM 0 HB THR A 72 -10.387 25.053 6.864 1.00 33.13 H new ATOM 0 HG1 THR A 72 -8.242 24.830 5.944 1.00 4.21 H new ATOM 0 HG21 THR A 72 -8.735 26.869 7.095 1.00 5.01 H new ATOM 0 HG22 THR A 72 -9.789 26.754 8.524 1.00 5.01 H new ATOM 0 HG23 THR A 72 -8.128 26.121 8.591 1.00 5.01 H new ATOM 1025 N LEU A 73 -12.054 23.596 9.687 1.00 35.14 N ATOM 1026 CA LEU A 73 -13.469 23.246 9.707 1.00 23.04 C ATOM 1027 C LEU A 73 -14.246 24.172 10.637 1.00 72.11 C ATOM 1028 O LEU A 73 -13.667 24.821 11.508 1.00 51.43 O ATOM 1029 CB LEU A 73 -13.651 21.792 10.148 1.00 54.14 C ATOM 1030 CG LEU A 73 -15.014 21.167 9.854 1.00 61.43 C ATOM 1031 CD1 LEU A 73 -14.849 19.757 9.310 1.00 11.41 C ATOM 1032 CD2 LEU A 73 -15.878 21.158 11.107 1.00 34.31 C ATOM 0 H LEU A 73 -11.659 23.808 10.603 1.00 35.14 H new ATOM 0 HA LEU A 73 -13.860 23.364 8.696 1.00 23.04 H new ATOM 0 HB2 LEU A 73 -12.884 21.188 9.663 1.00 54.14 H new ATOM 0 HB3 LEU A 73 -13.471 21.734 11.221 1.00 54.14 H new ATOM 0 HG LEU A 73 -15.513 21.771 9.096 1.00 61.43 H new ATOM 0 HD11 LEU A 73 -15.830 19.328 9.107 1.00 11.41 H new ATOM 0 HD12 LEU A 73 -14.269 19.788 8.388 1.00 11.41 H new ATOM 0 HD13 LEU A 73 -14.330 19.142 10.045 1.00 11.41 H new ATOM 0 HD21 LEU A 73 -16.845 20.709 10.879 1.00 34.31 H new ATOM 0 HD22 LEU A 73 -15.383 20.578 11.886 1.00 34.31 H new ATOM 0 HD23 LEU A 73 -16.025 22.180 11.455 1.00 34.31 H new ATOM 1044 N ALA A 74 -15.560 24.228 10.448 1.00 22.44 N ATOM 1045 CA ALA A 74 -16.416 25.070 11.274 1.00 11.31 C ATOM 1046 C ALA A 74 -16.520 24.524 12.693 1.00 21.53 C ATOM 1047 O ALA A 74 -16.221 23.360 12.960 1.00 54.30 O ATOM 1048 CB ALA A 74 -17.799 25.190 10.649 1.00 53.32 C ATOM 0 H ALA A 74 -16.055 23.700 9.730 1.00 22.44 H new ATOM 0 HA ALA A 74 -15.966 26.061 11.327 1.00 11.31 H new ATOM 0 HB1 ALA A 74 -18.428 25.822 11.276 1.00 53.32 H new ATOM 0 HB2 ALA A 74 -17.713 25.634 9.657 1.00 53.32 H new ATOM 0 HB3 ALA A 74 -18.248 24.200 10.565 1.00 53.32 H new ATOM 1054 N PRO A 75 -16.955 25.382 13.628 1.00 32.30 N ATOM 1055 CA PRO A 75 -17.108 25.008 15.037 1.00 30.15 C ATOM 1056 C PRO A 75 -18.261 24.033 15.255 1.00 61.33 C ATOM 1057 O PRO A 75 -18.433 23.494 16.348 1.00 53.53 O ATOM 1058 CB PRO A 75 -17.398 26.341 15.730 1.00 53.34 C ATOM 1059 CG PRO A 75 -17.992 27.199 14.667 1.00 52.12 C ATOM 1060 CD PRO A 75 -17.331 26.784 13.381 1.00 74.35 C ATOM 0 HA PRO A 75 -16.225 24.496 15.421 1.00 30.15 H new ATOM 0 HB2 PRO A 75 -18.087 26.212 16.565 1.00 53.34 H new ATOM 0 HB3 PRO A 75 -16.487 26.784 16.133 1.00 53.34 H new ATOM 0 HG2 PRO A 75 -19.072 27.061 14.613 1.00 52.12 H new ATOM 0 HG3 PRO A 75 -17.815 28.255 14.874 1.00 52.12 H new ATOM 0 HD2 PRO A 75 -18.010 26.875 12.533 1.00 74.35 H new ATOM 0 HD3 PRO A 75 -16.460 27.401 13.160 1.00 74.35 H new ATOM 1068 N GLY A 76 -19.049 23.811 14.208 1.00 43.13 N ATOM 1069 CA GLY A 76 -20.176 22.902 14.306 1.00 34.50 C ATOM 1070 C GLY A 76 -20.399 22.115 13.030 1.00 44.53 C ATOM 1071 O GLY A 76 -20.654 22.693 11.974 1.00 11.41 O ATOM 0 H GLY A 76 -18.927 24.245 13.293 1.00 43.13 H new ATOM 0 HA2 GLY A 76 -20.010 22.210 15.132 1.00 34.50 H new ATOM 0 HA3 GLY A 76 -21.077 23.469 14.542 1.00 34.50 H new ATOM 1075 N ALA A 77 -20.302 20.794 13.127 1.00 32.55 N ATOM 1076 CA ALA A 77 -20.496 19.927 11.970 1.00 74.41 C ATOM 1077 C ALA A 77 -20.369 18.457 12.360 1.00 4.33 C ATOM 1078 O ALA A 77 -19.992 18.133 13.485 1.00 44.32 O ATOM 1079 CB ALA A 77 -19.496 20.274 10.878 1.00 22.24 C ATOM 0 H ALA A 77 -20.090 20.300 13.994 1.00 32.55 H new ATOM 0 HA ALA A 77 -21.504 20.089 11.589 1.00 74.41 H new ATOM 0 HB1 ALA A 77 -19.652 19.619 10.020 1.00 22.24 H new ATOM 0 HB2 ALA A 77 -19.636 21.311 10.573 1.00 22.24 H new ATOM 0 HB3 ALA A 77 -18.483 20.141 11.257 1.00 22.24 H new ATOM 1085 N SER A 78 -20.689 17.572 11.420 1.00 73.31 N ATOM 1086 CA SER A 78 -20.615 16.136 11.666 1.00 44.30 C ATOM 1087 C SER A 78 -19.861 15.431 10.543 1.00 23.02 C ATOM 1088 O SER A 78 -20.133 15.653 9.362 1.00 72.23 O ATOM 1089 CB SER A 78 -22.021 15.548 11.800 1.00 54.45 C ATOM 1090 OG SER A 78 -22.935 16.212 10.946 1.00 65.00 O ATOM 0 H SER A 78 -21.002 17.824 10.482 1.00 73.31 H new ATOM 0 HA SER A 78 -20.073 15.979 12.598 1.00 44.30 H new ATOM 0 HB2 SER A 78 -21.999 14.485 11.558 1.00 54.45 H new ATOM 0 HB3 SER A 78 -22.357 15.633 12.833 1.00 54.45 H new ATOM 0 HG SER A 78 -23.826 15.816 11.049 1.00 65.00 H new ATOM 1096 N VAL A 79 -18.912 14.580 10.918 1.00 61.33 N ATOM 1097 CA VAL A 79 -18.119 13.840 9.945 1.00 14.33 C ATOM 1098 C VAL A 79 -18.002 12.370 10.333 1.00 71.11 C ATOM 1099 O VAL A 79 -17.395 12.033 11.350 1.00 23.51 O ATOM 1100 CB VAL A 79 -16.706 14.436 9.802 1.00 74.43 C ATOM 1101 CG1 VAL A 79 -16.752 15.740 9.021 1.00 43.11 C ATOM 1102 CG2 VAL A 79 -16.077 14.647 11.171 1.00 70.23 C ATOM 0 H VAL A 79 -18.674 14.386 11.891 1.00 61.33 H new ATOM 0 HA VAL A 79 -18.637 13.920 8.989 1.00 14.33 H new ATOM 0 HB VAL A 79 -16.087 13.731 9.247 1.00 74.43 H new ATOM 0 HG11 VAL A 79 -15.744 16.146 8.931 1.00 43.11 H new ATOM 0 HG12 VAL A 79 -17.159 15.555 8.027 1.00 43.11 H new ATOM 0 HG13 VAL A 79 -17.386 16.456 9.545 1.00 43.11 H new ATOM 0 HG21 VAL A 79 -15.079 15.069 11.052 1.00 70.23 H new ATOM 0 HG22 VAL A 79 -16.693 15.332 11.753 1.00 70.23 H new ATOM 0 HG23 VAL A 79 -16.007 13.691 11.691 1.00 70.23 H new ATOM 1112 N SER A 80 -18.588 11.499 9.517 1.00 52.53 N ATOM 1113 CA SER A 80 -18.552 10.066 9.777 1.00 32.23 C ATOM 1114 C SER A 80 -17.701 9.345 8.735 1.00 52.44 C ATOM 1115 O SER A 80 -17.822 9.597 7.536 1.00 71.13 O ATOM 1116 CB SER A 80 -19.970 9.491 9.780 1.00 12.32 C ATOM 1117 OG SER A 80 -20.758 10.074 8.757 1.00 40.21 O ATOM 0 H SER A 80 -19.093 11.762 8.671 1.00 52.53 H new ATOM 0 HA SER A 80 -18.102 9.911 10.758 1.00 32.23 H new ATOM 0 HB2 SER A 80 -19.928 8.411 9.640 1.00 12.32 H new ATOM 0 HB3 SER A 80 -20.436 9.669 10.749 1.00 12.32 H new ATOM 0 HG SER A 80 -21.659 9.689 8.778 1.00 40.21 H new ATOM 1123 N PHE A 81 -16.840 8.447 9.201 1.00 70.02 N ATOM 1124 CA PHE A 81 -15.967 7.690 8.312 1.00 3.41 C ATOM 1125 C PHE A 81 -15.975 6.208 8.673 1.00 41.12 C ATOM 1126 O PHE A 81 -15.954 5.845 9.849 1.00 14.44 O ATOM 1127 CB PHE A 81 -14.539 8.236 8.378 1.00 3.25 C ATOM 1128 CG PHE A 81 -13.789 7.805 9.606 1.00 22.44 C ATOM 1129 CD1 PHE A 81 -13.047 6.634 9.606 1.00 44.12 C ATOM 1130 CD2 PHE A 81 -13.827 8.569 10.761 1.00 13.21 C ATOM 1131 CE1 PHE A 81 -12.357 6.235 10.734 1.00 54.33 C ATOM 1132 CE2 PHE A 81 -13.137 8.175 11.891 1.00 73.45 C ATOM 1133 CZ PHE A 81 -12.402 7.006 11.878 1.00 20.31 C ATOM 0 H PHE A 81 -16.728 8.226 10.190 1.00 70.02 H new ATOM 0 HA PHE A 81 -16.343 7.799 7.295 1.00 3.41 H new ATOM 0 HB2 PHE A 81 -13.992 7.908 7.494 1.00 3.25 H new ATOM 0 HB3 PHE A 81 -14.573 9.325 8.346 1.00 3.25 H new ATOM 0 HD1 PHE A 81 -13.008 6.027 8.714 1.00 44.12 H new ATOM 0 HD2 PHE A 81 -14.402 9.483 10.778 1.00 13.21 H new ATOM 0 HE1 PHE A 81 -11.783 5.320 10.721 1.00 54.33 H new ATOM 0 HE2 PHE A 81 -13.172 8.781 12.784 1.00 73.45 H new ATOM 0 HZ PHE A 81 -11.863 6.696 12.761 1.00 20.31 H new ATOM 1143 N GLY A 82 -16.006 5.356 7.653 1.00 61.41 N ATOM 1144 CA GLY A 82 -16.017 3.922 7.883 1.00 44.44 C ATOM 1145 C GLY A 82 -14.747 3.249 7.404 1.00 41.41 C ATOM 1146 O GLY A 82 -13.842 3.907 6.889 1.00 72.32 O ATOM 0 H GLY A 82 -16.024 5.633 6.671 1.00 61.41 H new ATOM 0 HA2 GLY A 82 -16.148 3.729 8.948 1.00 44.44 H new ATOM 0 HA3 GLY A 82 -16.873 3.482 7.372 1.00 44.44 H new ATOM 1150 N PHE A 83 -14.677 1.933 7.573 1.00 51.02 N ATOM 1151 CA PHE A 83 -13.506 1.170 7.157 1.00 22.55 C ATOM 1152 C PHE A 83 -13.740 -0.327 7.339 1.00 73.33 C ATOM 1153 O PHE A 83 -14.760 -0.745 7.886 1.00 1.41 O ATOM 1154 CB PHE A 83 -12.276 1.606 7.954 1.00 12.21 C ATOM 1155 CG PHE A 83 -12.235 1.046 9.347 1.00 72.41 C ATOM 1156 CD1 PHE A 83 -11.631 -0.176 9.599 1.00 70.23 C ATOM 1157 CD2 PHE A 83 -12.800 1.741 10.404 1.00 55.33 C ATOM 1158 CE1 PHE A 83 -11.591 -0.694 10.880 1.00 41.43 C ATOM 1159 CE2 PHE A 83 -12.762 1.227 11.687 1.00 44.23 C ATOM 1160 CZ PHE A 83 -12.159 0.008 11.925 1.00 51.53 C ATOM 0 H PHE A 83 -15.417 1.373 7.995 1.00 51.02 H new ATOM 0 HA PHE A 83 -13.332 1.367 6.099 1.00 22.55 H new ATOM 0 HB2 PHE A 83 -11.378 1.296 7.420 1.00 12.21 H new ATOM 0 HB3 PHE A 83 -12.255 2.694 8.008 1.00 12.21 H new ATOM 0 HD1 PHE A 83 -11.187 -0.730 8.785 1.00 70.23 H new ATOM 0 HD2 PHE A 83 -13.275 2.694 10.224 1.00 55.33 H new ATOM 0 HE1 PHE A 83 -11.116 -1.647 11.063 1.00 41.43 H new ATOM 0 HE2 PHE A 83 -13.204 1.779 12.503 1.00 44.23 H new ATOM 0 HZ PHE A 83 -12.132 -0.396 12.926 1.00 51.53 H new ATOM 1170 N ASN A 84 -12.786 -1.130 6.877 1.00 63.10 N ATOM 1171 CA ASN A 84 -12.888 -2.580 6.987 1.00 33.42 C ATOM 1172 C ASN A 84 -11.614 -3.170 7.585 1.00 24.24 C ATOM 1173 O ASN A 84 -10.515 -2.933 7.087 1.00 75.11 O ATOM 1174 CB ASN A 84 -13.156 -3.200 5.614 1.00 24.41 C ATOM 1175 CG ASN A 84 -12.068 -2.873 4.610 1.00 21.20 C ATOM 1176 OD1 ASN A 84 -11.723 -1.708 4.408 1.00 43.00 O ATOM 1177 ND2 ASN A 84 -11.520 -3.903 3.975 1.00 64.31 N ATOM 0 H ASN A 84 -11.934 -0.800 6.423 1.00 63.10 H new ATOM 0 HA ASN A 84 -13.721 -2.812 7.650 1.00 33.42 H new ATOM 0 HB2 ASN A 84 -13.238 -4.282 5.717 1.00 24.41 H new ATOM 0 HB3 ASN A 84 -14.114 -2.842 5.237 1.00 24.41 H new ATOM 0 HD21 ASN A 84 -10.782 -3.745 3.289 1.00 64.31 H new ATOM 0 HD22 ASN A 84 -11.837 -4.852 4.174 1.00 64.31 H new ATOM 1184 N GLY A 85 -11.772 -3.943 8.655 1.00 31.54 N ATOM 1185 CA GLY A 85 -10.627 -4.557 9.303 1.00 42.42 C ATOM 1186 C GLY A 85 -10.801 -6.049 9.498 1.00 24.43 C ATOM 1187 O GLY A 85 -11.924 -6.539 9.614 1.00 20.34 O ATOM 0 H GLY A 85 -12.672 -4.155 9.085 1.00 31.54 H new ATOM 0 HA2 GLY A 85 -9.734 -4.374 8.705 1.00 42.42 H new ATOM 0 HA3 GLY A 85 -10.465 -4.084 10.271 1.00 42.42 H new ATOM 1191 N SER A 86 -9.688 -6.775 9.531 1.00 71.15 N ATOM 1192 CA SER A 86 -9.723 -8.221 9.708 1.00 30.24 C ATOM 1193 C SER A 86 -9.472 -8.597 11.165 1.00 15.21 C ATOM 1194 O SER A 86 -8.358 -8.460 11.670 1.00 10.23 O ATOM 1195 CB SER A 86 -8.682 -8.892 8.809 1.00 63.13 C ATOM 1196 OG SER A 86 -8.891 -10.291 8.743 1.00 1.25 O ATOM 0 H SER A 86 -8.750 -6.385 9.437 1.00 71.15 H new ATOM 0 HA SER A 86 -10.716 -8.572 9.427 1.00 30.24 H new ATOM 0 HB2 SER A 86 -8.734 -8.466 7.807 1.00 63.13 H new ATOM 0 HB3 SER A 86 -7.682 -8.688 9.191 1.00 63.13 H new ATOM 0 HG SER A 86 -8.214 -10.696 8.161 1.00 1.25 H new ATOM 1202 N GLY A 87 -10.516 -9.073 11.836 1.00 24.33 N ATOM 1203 CA GLY A 87 -10.389 -9.462 13.229 1.00 43.43 C ATOM 1204 C GLY A 87 -11.722 -9.476 13.950 1.00 72.55 C ATOM 1205 O GLY A 87 -12.782 -9.607 13.339 1.00 2.14 O ATOM 0 H GLY A 87 -11.448 -9.196 11.440 1.00 24.33 H new ATOM 0 HA2 GLY A 87 -9.938 -10.452 13.287 1.00 43.43 H new ATOM 0 HA3 GLY A 87 -9.713 -8.773 13.735 1.00 43.43 H new ATOM 1209 N PRO A 88 -11.678 -9.338 15.284 1.00 30.34 N ATOM 1210 CA PRO A 88 -12.883 -9.334 16.119 1.00 53.01 C ATOM 1211 C PRO A 88 -13.722 -8.076 15.919 1.00 74.20 C ATOM 1212 O PRO A 88 -14.948 -8.143 15.845 1.00 41.44 O ATOM 1213 CB PRO A 88 -12.326 -9.385 17.544 1.00 30.21 C ATOM 1214 CG PRO A 88 -10.962 -8.795 17.440 1.00 10.24 C ATOM 1215 CD PRO A 88 -10.450 -9.178 16.079 1.00 53.14 C ATOM 0 HA PRO A 88 -13.550 -10.162 15.877 1.00 53.01 H new ATOM 0 HB2 PRO A 88 -12.951 -8.818 18.234 1.00 30.21 H new ATOM 0 HB3 PRO A 88 -12.287 -10.408 17.917 1.00 30.21 H new ATOM 0 HG2 PRO A 88 -10.995 -7.711 17.554 1.00 10.24 H new ATOM 0 HG3 PRO A 88 -10.310 -9.178 18.225 1.00 10.24 H new ATOM 0 HD2 PRO A 88 -9.800 -8.408 15.663 1.00 53.14 H new ATOM 0 HD3 PRO A 88 -9.870 -10.101 16.113 1.00 53.14 H new ATOM 1223 N GLY A 89 -13.052 -6.931 15.833 1.00 24.22 N ATOM 1224 CA GLY A 89 -13.753 -5.675 15.643 1.00 3.44 C ATOM 1225 C GLY A 89 -14.188 -5.048 16.953 1.00 32.15 C ATOM 1226 O GLY A 89 -15.162 -4.298 16.997 1.00 4.33 O ATOM 0 H GLY A 89 -12.037 -6.851 15.891 1.00 24.22 H new ATOM 0 HA2 GLY A 89 -13.106 -4.979 15.108 1.00 3.44 H new ATOM 0 HA3 GLY A 89 -14.629 -5.843 15.016 1.00 3.44 H new ATOM 1230 N SER A 90 -13.464 -5.359 18.025 1.00 5.33 N ATOM 1231 CA SER A 90 -13.784 -4.826 19.342 1.00 62.53 C ATOM 1232 C SER A 90 -12.692 -3.876 19.825 1.00 2.23 C ATOM 1233 O SER A 90 -11.885 -4.207 20.693 1.00 4.22 O ATOM 1234 CB SER A 90 -13.964 -5.966 20.347 1.00 45.15 C ATOM 1235 OG SER A 90 -15.155 -6.690 20.090 1.00 12.33 O ATOM 0 H SER A 90 -12.653 -5.977 18.005 1.00 5.33 H new ATOM 0 HA SER A 90 -14.717 -4.269 19.263 1.00 62.53 H new ATOM 0 HB2 SER A 90 -13.108 -6.639 20.296 1.00 45.15 H new ATOM 0 HB3 SER A 90 -13.992 -5.562 21.359 1.00 45.15 H new ATOM 0 HG SER A 90 -15.246 -7.414 20.745 1.00 12.33 H new ATOM 1241 N PRO A 91 -12.665 -2.666 19.247 1.00 64.35 N ATOM 1242 CA PRO A 91 -11.678 -1.641 19.601 1.00 73.30 C ATOM 1243 C PRO A 91 -11.903 -1.077 21.000 1.00 15.04 C ATOM 1244 O PRO A 91 -12.981 -1.230 21.574 1.00 53.13 O ATOM 1245 CB PRO A 91 -11.898 -0.556 18.545 1.00 44.14 C ATOM 1246 CG PRO A 91 -13.314 -0.729 18.113 1.00 33.21 C ATOM 1247 CD PRO A 91 -13.597 -2.202 18.205 1.00 33.44 C ATOM 0 HA PRO A 91 -10.664 -2.040 19.616 1.00 73.30 H new ATOM 0 HB2 PRO A 91 -11.729 0.438 18.958 1.00 44.14 H new ATOM 0 HB3 PRO A 91 -11.211 -0.674 17.707 1.00 44.14 H new ATOM 0 HG2 PRO A 91 -13.989 -0.161 18.753 1.00 33.21 H new ATOM 0 HG3 PRO A 91 -13.459 -0.366 17.095 1.00 33.21 H new ATOM 0 HD2 PRO A 91 -14.634 -2.395 18.479 1.00 33.44 H new ATOM 0 HD3 PRO A 91 -13.419 -2.705 17.255 1.00 33.44 H new ATOM 1255 N SER A 92 -10.880 -0.426 21.542 1.00 0.42 N ATOM 1256 CA SER A 92 -10.966 0.159 22.876 1.00 13.13 C ATOM 1257 C SER A 92 -10.106 1.416 22.974 1.00 30.04 C ATOM 1258 O SER A 92 -9.337 1.727 22.066 1.00 73.31 O ATOM 1259 CB SER A 92 -10.524 -0.858 23.930 1.00 63.31 C ATOM 1260 OG SER A 92 -9.364 -1.556 23.513 1.00 3.44 O ATOM 0 H SER A 92 -9.981 -0.290 21.079 1.00 0.42 H new ATOM 0 HA SER A 92 -12.004 0.435 23.060 1.00 13.13 H new ATOM 0 HB2 SER A 92 -10.325 -0.347 24.872 1.00 63.31 H new ATOM 0 HB3 SER A 92 -11.331 -1.567 24.116 1.00 63.31 H new ATOM 0 HG SER A 92 -9.102 -2.198 24.205 1.00 3.44 H new ATOM 1266 N ASN A 93 -10.245 2.134 24.084 1.00 10.22 N ATOM 1267 CA ASN A 93 -9.482 3.357 24.303 1.00 2.20 C ATOM 1268 C ASN A 93 -9.779 4.385 23.214 1.00 64.44 C ATOM 1269 O ASN A 93 -8.876 4.834 22.506 1.00 73.35 O ATOM 1270 CB ASN A 93 -7.984 3.051 24.335 1.00 21.14 C ATOM 1271 CG ASN A 93 -7.621 2.055 25.420 1.00 12.51 C ATOM 1272 OD1 ASN A 93 -8.492 1.533 26.115 1.00 32.42 O ATOM 1273 ND2 ASN A 93 -6.329 1.787 25.569 1.00 5.24 N ATOM 0 H ASN A 93 -10.879 1.890 24.845 1.00 10.22 H new ATOM 0 HA ASN A 93 -9.781 3.774 25.265 1.00 2.20 H new ATOM 0 HB2 ASN A 93 -7.675 2.658 23.366 1.00 21.14 H new ATOM 0 HB3 ASN A 93 -7.430 3.976 24.495 1.00 21.14 H new ATOM 0 HD21 ASN A 93 -6.025 1.125 26.282 1.00 5.24 H new ATOM 0 HD22 ASN A 93 -5.641 2.243 24.970 1.00 5.24 H new ATOM 1280 N CYS A 94 -11.049 4.754 23.087 1.00 21.22 N ATOM 1281 CA CYS A 94 -11.466 5.728 22.085 1.00 32.00 C ATOM 1282 C CYS A 94 -11.074 7.141 22.505 1.00 23.53 C ATOM 1283 O CYS A 94 -11.824 7.822 23.206 1.00 62.02 O ATOM 1284 CB CYS A 94 -12.977 5.648 21.863 1.00 55.12 C ATOM 1285 SG CYS A 94 -13.622 6.894 20.723 1.00 54.31 S ATOM 0 H CYS A 94 -11.808 4.393 23.666 1.00 21.22 H new ATOM 0 HA CYS A 94 -10.957 5.492 21.150 1.00 32.00 H new ATOM 0 HB2 CYS A 94 -13.225 4.658 21.481 1.00 55.12 H new ATOM 0 HB3 CYS A 94 -13.481 5.754 22.824 1.00 55.12 H new ATOM 0 HG CYS A 94 -14.355 7.744 21.379 1.00 54.31 H new ATOM 1291 N LYS A 95 -9.896 7.576 22.075 1.00 14.25 N ATOM 1292 CA LYS A 95 -9.403 8.908 22.406 1.00 23.10 C ATOM 1293 C LYS A 95 -9.195 9.740 21.145 1.00 13.20 C ATOM 1294 O LYS A 95 -8.394 9.384 20.278 1.00 24.35 O ATOM 1295 CB LYS A 95 -8.091 8.809 23.187 1.00 71.15 C ATOM 1296 CG LYS A 95 -7.088 7.848 22.573 1.00 52.40 C ATOM 1297 CD LYS A 95 -6.841 6.650 23.474 1.00 21.04 C ATOM 1298 CE LYS A 95 -5.818 6.965 24.553 1.00 72.41 C ATOM 1299 NZ LYS A 95 -6.336 6.657 25.915 1.00 53.34 N ATOM 0 H LYS A 95 -9.263 7.025 21.495 1.00 14.25 H new ATOM 0 HA LYS A 95 -10.151 9.401 23.026 1.00 23.10 H new ATOM 0 HB2 LYS A 95 -7.640 9.799 23.251 1.00 71.15 H new ATOM 0 HB3 LYS A 95 -8.308 8.491 24.207 1.00 71.15 H new ATOM 0 HG2 LYS A 95 -7.455 7.507 21.605 1.00 52.40 H new ATOM 0 HG3 LYS A 95 -6.148 8.369 22.392 1.00 52.40 H new ATOM 0 HD2 LYS A 95 -7.778 6.344 23.938 1.00 21.04 H new ATOM 0 HD3 LYS A 95 -6.492 5.809 22.875 1.00 21.04 H new ATOM 0 HE2 LYS A 95 -4.910 6.390 24.371 1.00 72.41 H new ATOM 0 HE3 LYS A 95 -5.545 8.019 24.498 1.00 72.41 H new ATOM 0 HZ1 LYS A 95 -5.609 6.885 26.623 1.00 53.34 H new ATOM 0 HZ2 LYS A 95 -7.188 7.224 26.099 1.00 53.34 H new ATOM 0 HZ3 LYS A 95 -6.573 5.646 25.976 1.00 53.34 H new ATOM 1313 N LEU A 96 -9.917 10.850 21.048 1.00 72.04 N ATOM 1314 CA LEU A 96 -9.810 11.735 19.893 1.00 75.23 C ATOM 1315 C LEU A 96 -9.573 13.177 20.331 1.00 10.12 C ATOM 1316 O LEU A 96 -9.922 13.563 21.446 1.00 10.13 O ATOM 1317 CB LEU A 96 -11.078 11.651 19.041 1.00 60.54 C ATOM 1318 CG LEU A 96 -12.395 11.925 19.770 1.00 52.34 C ATOM 1319 CD1 LEU A 96 -12.628 13.423 19.903 1.00 23.25 C ATOM 1320 CD2 LEU A 96 -13.555 11.264 19.041 1.00 42.42 C ATOM 0 H LEU A 96 -10.583 11.159 21.755 1.00 72.04 H new ATOM 0 HA LEU A 96 -8.957 11.411 19.297 1.00 75.23 H new ATOM 0 HB2 LEU A 96 -10.987 12.360 18.218 1.00 60.54 H new ATOM 0 HB3 LEU A 96 -11.130 10.656 18.600 1.00 60.54 H new ATOM 0 HG LEU A 96 -12.332 11.498 20.771 1.00 52.34 H new ATOM 0 HD11 LEU A 96 -13.569 13.600 20.424 1.00 23.25 H new ATOM 0 HD12 LEU A 96 -11.810 13.870 20.469 1.00 23.25 H new ATOM 0 HD13 LEU A 96 -12.672 13.874 18.912 1.00 23.25 H new ATOM 0 HD21 LEU A 96 -14.484 11.469 19.573 1.00 42.42 H new ATOM 0 HD22 LEU A 96 -13.622 11.661 18.028 1.00 42.42 H new ATOM 0 HD23 LEU A 96 -13.392 10.187 18.998 1.00 42.42 H new ATOM 1332 N ASN A 97 -8.978 13.969 19.445 1.00 4.42 N ATOM 1333 CA ASN A 97 -8.697 15.370 19.739 1.00 72.21 C ATOM 1334 C ASN A 97 -7.700 15.494 20.888 1.00 62.42 C ATOM 1335 O ASN A 97 -7.638 16.522 21.561 1.00 34.31 O ATOM 1336 CB ASN A 97 -9.990 16.109 20.089 1.00 51.52 C ATOM 1337 CG ASN A 97 -10.269 17.262 19.145 1.00 54.52 C ATOM 1338 OD1 ASN A 97 -11.362 17.374 18.589 1.00 62.43 O ATOM 1339 ND2 ASN A 97 -9.278 18.128 18.958 1.00 31.51 N ATOM 0 H ASN A 97 -8.681 13.665 18.518 1.00 4.42 H new ATOM 0 HA ASN A 97 -8.258 15.822 18.849 1.00 72.21 H new ATOM 0 HB2 ASN A 97 -10.825 15.409 20.060 1.00 51.52 H new ATOM 0 HB3 ASN A 97 -9.925 16.486 21.110 1.00 51.52 H new ATOM 0 HD21 ASN A 97 -9.407 18.924 18.333 1.00 31.51 H new ATOM 0 HD22 ASN A 97 -8.388 17.997 19.439 1.00 31.51 H new ATOM 1346 N GLY A 98 -6.922 14.437 21.106 1.00 52.32 N ATOM 1347 CA GLY A 98 -5.939 14.449 22.174 1.00 32.43 C ATOM 1348 C GLY A 98 -6.505 13.949 23.488 1.00 75.11 C ATOM 1349 O GLY A 98 -6.230 14.514 24.545 1.00 64.02 O ATOM 0 H GLY A 98 -6.955 13.574 20.563 1.00 52.32 H new ATOM 0 HA2 GLY A 98 -5.089 13.829 21.889 1.00 32.43 H new ATOM 0 HA3 GLY A 98 -5.563 15.464 22.306 1.00 32.43 H new ATOM 1353 N GLY A 99 -7.298 12.884 23.423 1.00 23.14 N ATOM 1354 CA GLY A 99 -7.893 12.327 24.624 1.00 4.54 C ATOM 1355 C GLY A 99 -9.178 13.030 25.014 1.00 12.23 C ATOM 1356 O GLY A 99 -9.216 13.766 26.000 1.00 53.52 O ATOM 0 H GLY A 99 -7.539 12.397 22.560 1.00 23.14 H new ATOM 0 HA2 GLY A 99 -8.095 11.267 24.468 1.00 4.54 H new ATOM 0 HA3 GLY A 99 -7.180 12.398 25.445 1.00 4.54 H new ATOM 1360 N SER A 100 -10.233 12.804 24.238 1.00 43.32 N ATOM 1361 CA SER A 100 -11.525 13.426 24.504 1.00 63.23 C ATOM 1362 C SER A 100 -12.659 12.608 23.892 1.00 54.34 C ATOM 1363 O SER A 100 -12.875 12.638 22.680 1.00 13.10 O ATOM 1364 CB SER A 100 -11.553 14.852 23.951 1.00 22.41 C ATOM 1365 OG SER A 100 -10.602 15.672 24.608 1.00 63.32 O ATOM 0 H SER A 100 -10.219 12.195 23.420 1.00 43.32 H new ATOM 0 HA SER A 100 -11.667 13.461 25.584 1.00 63.23 H new ATOM 0 HB2 SER A 100 -11.346 14.835 22.881 1.00 22.41 H new ATOM 0 HB3 SER A 100 -12.550 15.274 24.076 1.00 22.41 H new ATOM 0 HG SER A 100 -10.112 15.140 25.269 1.00 63.32 H new ATOM 1371 N CYS A 101 -13.378 11.880 24.738 1.00 64.12 N ATOM 1372 CA CYS A 101 -14.489 11.052 24.281 1.00 43.34 C ATOM 1373 C CYS A 101 -15.560 10.937 25.360 1.00 63.23 C ATOM 1374 O CYS A 101 -15.252 10.763 26.540 1.00 61.31 O ATOM 1375 CB CYS A 101 -13.990 9.661 23.891 1.00 30.10 C ATOM 1376 SG CYS A 101 -15.306 8.495 23.471 1.00 5.54 S ATOM 0 H CYS A 101 -13.212 11.846 25.744 1.00 64.12 H new ATOM 0 HA CYS A 101 -14.930 11.530 23.406 1.00 43.34 H new ATOM 0 HB2 CYS A 101 -13.316 9.754 23.039 1.00 30.10 H new ATOM 0 HB3 CYS A 101 -13.406 9.252 24.716 1.00 30.10 H new ATOM 0 HG CYS A 101 -15.599 7.777 24.514 1.00 5.54 H new ATOM 1382 N ASP A 102 -16.821 11.037 24.950 1.00 55.34 N ATOM 1383 CA ASP A 102 -17.938 10.945 25.882 1.00 21.31 C ATOM 1384 C ASP A 102 -18.944 9.895 25.420 1.00 61.33 C ATOM 1385 O ASP A 102 -19.037 9.590 24.232 1.00 65.22 O ATOM 1386 CB ASP A 102 -18.627 12.302 26.022 1.00 41.34 C ATOM 1387 CG ASP A 102 -19.406 12.426 27.316 1.00 60.23 C ATOM 1388 OD1 ASP A 102 -19.066 11.713 28.283 1.00 50.21 O ATOM 1389 OD2 ASP A 102 -20.358 13.234 27.362 1.00 15.23 O ATOM 0 H ASP A 102 -17.094 11.182 23.978 1.00 55.34 H new ATOM 0 HA ASP A 102 -17.545 10.645 26.853 1.00 21.31 H new ATOM 0 HB2 ASP A 102 -17.878 13.093 25.975 1.00 41.34 H new ATOM 0 HB3 ASP A 102 -19.302 12.452 25.179 1.00 41.34 H new ATOM 1394 N GLY A 103 -19.695 9.345 26.369 1.00 32.52 N ATOM 1395 CA GLY A 103 -20.684 8.334 26.040 1.00 73.14 C ATOM 1396 C GLY A 103 -20.142 6.926 26.179 1.00 12.14 C ATOM 1397 O GLY A 103 -20.885 5.992 26.482 1.00 44.22 O ATOM 0 H GLY A 103 -19.637 9.581 27.360 1.00 32.52 H new ATOM 0 HA2 GLY A 103 -21.550 8.452 26.691 1.00 73.14 H new ATOM 0 HA3 GLY A 103 -21.030 8.488 25.018 1.00 73.14 H new ATOM 1401 N THR A 104 -18.840 6.770 25.956 1.00 0.44 N ATOM 1402 CA THR A 104 -18.199 5.464 26.054 1.00 44.50 C ATOM 1403 C THR A 104 -16.682 5.589 25.961 1.00 62.32 C ATOM 1404 O THR A 104 -16.146 6.691 25.848 1.00 42.10 O ATOM 1405 CB THR A 104 -18.692 4.511 24.949 1.00 2.15 C ATOM 1406 OG1 THR A 104 -19.528 5.220 24.027 1.00 40.43 O ATOM 1407 CG2 THR A 104 -19.465 3.344 25.546 1.00 54.24 C ATOM 0 H THR A 104 -18.209 7.532 25.706 1.00 0.44 H new ATOM 0 HA THR A 104 -18.469 5.051 27.026 1.00 44.50 H new ATOM 0 HB THR A 104 -17.821 4.120 24.423 1.00 2.15 H new ATOM 0 HG1 THR A 104 -19.836 4.607 23.327 1.00 40.43 H new ATOM 0 HG21 THR A 104 -19.803 2.685 24.747 1.00 54.24 H new ATOM 0 HG22 THR A 104 -18.818 2.789 26.225 1.00 54.24 H new ATOM 0 HG23 THR A 104 -20.328 3.722 26.094 1.00 54.24 H new ATOM 1415 N SER A 105 -15.996 4.452 26.011 1.00 31.42 N ATOM 1416 CA SER A 105 -14.540 4.434 25.937 1.00 52.13 C ATOM 1417 C SER A 105 -14.047 3.171 25.237 1.00 41.12 C ATOM 1418 O SER A 105 -12.849 2.901 25.194 1.00 53.31 O ATOM 1419 CB SER A 105 -13.935 4.523 27.339 1.00 21.23 C ATOM 1420 OG SER A 105 -13.091 5.654 27.460 1.00 70.43 O ATOM 0 H SER A 105 -16.425 3.531 26.102 1.00 31.42 H new ATOM 0 HA SER A 105 -14.220 5.299 25.356 1.00 52.13 H new ATOM 0 HB2 SER A 105 -14.733 4.580 28.080 1.00 21.23 H new ATOM 0 HB3 SER A 105 -13.367 3.617 27.551 1.00 21.23 H new ATOM 0 HG SER A 105 -12.718 5.689 28.366 1.00 70.43 H new TER 1426 SER A 105