USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 636 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 124:sc= 1.76 USER MOD Set 1.2: A 101 CYS SG : rot 132:sc= 0.676 USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -33:sc= 0.219 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 141:sc= -0.0578 (180deg=-0.899) USER MOD Single : A 11 THR OG1 : rot 64:sc= 0.336 USER MOD Single : A 12 SER OG : rot 180:sc= -0.271 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 23 THR OG1 : rot 75:sc= 0.469 USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00652) USER MOD Single : A 26 ASN : amide:sc= -3.31! C(o=-3.3!,f=-4.2!) USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00664 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0398 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= 0.0639 USER MOD Single : A 45 THR OG1 : rot 147:sc= -0.176 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 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.657 USER MOD Single : A 61 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-4.8!) USER MOD Single : A 63 THR OG1 : rot -170:sc= -1.78 USER MOD Single : A 66 ASN : amide:sc= -0.185 X(o=-0.18,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.305 X(o=-0.31,f=-0.065) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc=-0.00566 USER MOD Single : A 80 SER OG : rot 180:sc= 0.00348 USER MOD Single : A 84 ASN : amide:sc= -2.38 K(o=-2.4,f=-5.2!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 29:sc= 0.0748 USER MOD Single : A 93 ASN : amide:sc= -0.023 K(o=-0.023,f=-1.3) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -16.901 14.549 20.412 1.00 62.22 N ATOM 47 CA THR A 5 -17.373 13.265 20.916 1.00 11.43 C ATOM 48 C THR A 5 -17.295 12.190 19.838 1.00 22.14 C ATOM 49 O THR A 5 -17.531 12.460 18.660 1.00 32.42 O ATOM 50 CB THR A 5 -18.823 13.360 21.427 1.00 53.52 C ATOM 51 OG1 THR A 5 -19.643 14.015 20.452 1.00 63.51 O ATOM 52 CG2 THR A 5 -18.884 14.122 22.742 1.00 1.44 C ATOM 0 HA THR A 5 -16.721 12.992 21.746 1.00 11.43 H new ATOM 0 HB THR A 5 -19.194 12.349 21.594 1.00 53.52 H new ATOM 0 HG1 THR A 5 -19.114 14.692 19.981 1.00 63.51 H new ATOM 0 HG21 THR A 5 -19.918 14.176 23.083 1.00 1.44 H new ATOM 0 HG22 THR A 5 -18.282 13.606 23.490 1.00 1.44 H new ATOM 0 HG23 THR A 5 -18.496 15.130 22.597 1.00 1.44 H new ATOM 60 N ALA A 6 -16.964 10.970 20.249 1.00 12.25 N ATOM 61 CA ALA A 6 -16.859 9.854 19.318 1.00 34.33 C ATOM 62 C ALA A 6 -17.737 8.687 19.757 1.00 15.00 C ATOM 63 O ALA A 6 -17.824 8.374 20.946 1.00 13.14 O ATOM 64 CB ALA A 6 -15.409 9.407 19.192 1.00 11.54 C ATOM 0 H ALA A 6 -16.764 10.730 21.220 1.00 12.25 H new ATOM 0 HA ALA A 6 -17.211 10.192 18.343 1.00 34.33 H new ATOM 0 HB1 ALA A 6 -15.345 8.573 18.494 1.00 11.54 H new ATOM 0 HB2 ALA A 6 -14.804 10.235 18.824 1.00 11.54 H new ATOM 0 HB3 ALA A 6 -15.039 9.092 20.168 1.00 11.54 H new ATOM 70 N THR A 7 -18.389 8.047 18.792 1.00 73.21 N ATOM 71 CA THR A 7 -19.263 6.916 19.080 1.00 13.21 C ATOM 72 C THR A 7 -19.014 5.768 18.108 1.00 75.32 C ATOM 73 O THR A 7 -19.244 5.897 16.906 1.00 42.55 O ATOM 74 CB THR A 7 -20.747 7.321 19.009 1.00 11.14 C ATOM 75 OG1 THR A 7 -20.963 8.524 19.754 1.00 62.13 O ATOM 76 CG2 THR A 7 -21.637 6.214 19.555 1.00 32.32 C ATOM 0 H THR A 7 -18.329 8.292 17.804 1.00 73.21 H new ATOM 0 HA THR A 7 -19.032 6.587 20.093 1.00 13.21 H new ATOM 0 HB THR A 7 -21.005 7.490 17.964 1.00 11.14 H new ATOM 0 HG1 THR A 7 -21.909 8.775 19.702 1.00 62.13 H new ATOM 0 HG21 THR A 7 -22.681 6.523 19.495 1.00 32.32 H new ATOM 0 HG22 THR A 7 -21.492 5.308 18.967 1.00 32.32 H new ATOM 0 HG23 THR A 7 -21.377 6.017 20.595 1.00 32.32 H new ATOM 84 N PHE A 8 -18.543 4.643 18.638 1.00 0.54 N ATOM 85 CA PHE A 8 -18.263 3.470 17.817 1.00 51.24 C ATOM 86 C PHE A 8 -19.553 2.878 17.257 1.00 75.20 C ATOM 87 O PHE A 8 -20.594 2.902 17.911 1.00 25.30 O ATOM 88 CB PHE A 8 -17.516 2.416 18.635 1.00 73.41 C ATOM 89 CG PHE A 8 -17.182 1.176 17.854 1.00 43.44 C ATOM 90 CD1 PHE A 8 -16.547 1.266 16.626 1.00 10.22 C ATOM 91 CD2 PHE A 8 -17.504 -0.077 18.348 1.00 3.21 C ATOM 92 CE1 PHE A 8 -16.238 0.128 15.905 1.00 43.44 C ATOM 93 CE2 PHE A 8 -17.198 -1.218 17.631 1.00 5.14 C ATOM 94 CZ PHE A 8 -16.565 -1.115 16.408 1.00 22.34 C ATOM 0 H PHE A 8 -18.347 4.519 19.631 1.00 0.54 H new ATOM 0 HA PHE A 8 -17.636 3.782 16.982 1.00 51.24 H new ATOM 0 HB2 PHE A 8 -16.594 2.852 19.020 1.00 73.41 H new ATOM 0 HB3 PHE A 8 -18.123 2.140 19.498 1.00 73.41 H new ATOM 0 HD1 PHE A 8 -16.290 2.236 16.228 1.00 10.22 H new ATOM 0 HD2 PHE A 8 -18.000 -0.163 19.304 1.00 3.21 H new ATOM 0 HE1 PHE A 8 -15.741 0.211 14.950 1.00 43.44 H new ATOM 0 HE2 PHE A 8 -17.454 -2.190 18.027 1.00 5.14 H new ATOM 0 HZ PHE A 8 -16.326 -2.006 15.846 1.00 22.34 H new ATOM 104 N ALA A 9 -19.474 2.347 16.041 1.00 14.41 N ATOM 105 CA ALA A 9 -20.633 1.746 15.393 1.00 40.43 C ATOM 106 C ALA A 9 -20.223 0.568 14.518 1.00 11.02 C ATOM 107 O ALA A 9 -19.048 0.404 14.188 1.00 24.51 O ATOM 108 CB ALA A 9 -21.374 2.788 14.567 1.00 1.53 C ATOM 0 H ALA A 9 -18.619 2.321 15.485 1.00 14.41 H new ATOM 0 HA ALA A 9 -21.300 1.372 16.170 1.00 40.43 H new ATOM 0 HB1 ALA A 9 -22.237 2.326 14.088 1.00 1.53 H new ATOM 0 HB2 ALA A 9 -21.709 3.597 15.217 1.00 1.53 H new ATOM 0 HB3 ALA A 9 -20.707 3.189 13.804 1.00 1.53 H new ATOM 114 N LYS A 10 -21.199 -0.253 14.143 1.00 62.23 N ATOM 115 CA LYS A 10 -20.941 -1.419 13.305 1.00 44.23 C ATOM 116 C LYS A 10 -21.463 -1.195 11.889 1.00 35.53 C ATOM 117 O LYS A 10 -22.537 -0.626 11.694 1.00 10.11 O ATOM 118 CB LYS A 10 -21.593 -2.662 13.911 1.00 30.21 C ATOM 119 CG LYS A 10 -20.649 -3.845 14.035 1.00 31.04 C ATOM 120 CD LYS A 10 -20.499 -4.579 12.712 1.00 31.55 C ATOM 121 CE LYS A 10 -19.089 -5.120 12.532 1.00 41.12 C ATOM 122 NZ LYS A 10 -18.760 -6.163 13.544 1.00 4.42 N ATOM 0 H LYS A 10 -22.177 -0.132 14.407 1.00 62.23 H new ATOM 0 HA LYS A 10 -19.863 -1.571 13.256 1.00 44.23 H new ATOM 0 HB2 LYS A 10 -21.982 -2.413 14.898 1.00 30.21 H new ATOM 0 HB3 LYS A 10 -22.445 -2.951 13.296 1.00 30.21 H new ATOM 0 HG2 LYS A 10 -19.672 -3.499 14.373 1.00 31.04 H new ATOM 0 HG3 LYS A 10 -21.023 -4.533 14.793 1.00 31.04 H new ATOM 0 HD2 LYS A 10 -21.214 -5.401 12.667 1.00 31.55 H new ATOM 0 HD3 LYS A 10 -20.738 -3.904 11.891 1.00 31.55 H new ATOM 0 HE2 LYS A 10 -18.986 -5.540 11.531 1.00 41.12 H new ATOM 0 HE3 LYS A 10 -18.374 -4.301 12.609 1.00 41.12 H new ATOM 0 HZ1 LYS A 10 -18.205 -6.920 13.095 1.00 4.42 H new ATOM 0 HZ2 LYS A 10 -18.205 -5.737 14.314 1.00 4.42 H new ATOM 0 HZ3 LYS A 10 -19.640 -6.561 13.931 1.00 4.42 H new ATOM 136 N THR A 11 -20.696 -1.651 10.903 1.00 4.13 N ATOM 137 CA THR A 11 -21.081 -1.502 9.505 1.00 11.14 C ATOM 138 C THR A 11 -21.523 -2.835 8.911 1.00 31.43 C ATOM 139 O THR A 11 -22.671 -2.992 8.499 1.00 63.21 O ATOM 140 CB THR A 11 -19.924 -0.935 8.661 1.00 25.53 C ATOM 141 OG1 THR A 11 -19.138 -0.035 9.449 1.00 42.13 O ATOM 142 CG2 THR A 11 -20.455 -0.211 7.433 1.00 2.43 C ATOM 0 H THR A 11 -19.805 -2.126 11.047 1.00 4.13 H new ATOM 0 HA THR A 11 -21.916 -0.802 9.480 1.00 11.14 H new ATOM 0 HB THR A 11 -19.301 -1.767 8.332 1.00 25.53 H new ATOM 0 HG1 THR A 11 -18.715 -0.527 10.183 1.00 42.13 H new ATOM 0 HG21 THR A 11 -19.620 0.181 6.852 1.00 2.43 H new ATOM 0 HG22 THR A 11 -21.028 -0.907 6.820 1.00 2.43 H new ATOM 0 HG23 THR A 11 -21.098 0.612 7.745 1.00 2.43 H new ATOM 150 N SER A 12 -20.602 -3.794 8.872 1.00 22.40 N ATOM 151 CA SER A 12 -20.896 -5.113 8.326 1.00 0.33 C ATOM 152 C SER A 12 -19.695 -6.042 8.473 1.00 61.42 C ATOM 153 O SER A 12 -18.564 -5.668 8.161 1.00 61.42 O ATOM 154 CB SER A 12 -21.291 -5.002 6.852 1.00 1.30 C ATOM 155 OG SER A 12 -20.818 -3.792 6.287 1.00 0.44 O ATOM 0 H SER A 12 -19.647 -3.681 9.212 1.00 22.40 H new ATOM 0 HA SER A 12 -21.730 -5.534 8.888 1.00 0.33 H new ATOM 0 HB2 SER A 12 -20.885 -5.849 6.299 1.00 1.30 H new ATOM 0 HB3 SER A 12 -22.376 -5.051 6.758 1.00 1.30 H new ATOM 0 HG SER A 12 -21.082 -3.746 5.344 1.00 0.44 H new ATOM 161 N ASP A 13 -19.949 -7.256 8.951 1.00 62.30 N ATOM 162 CA ASP A 13 -18.890 -8.241 9.140 1.00 41.34 C ATOM 163 C ASP A 13 -19.140 -9.478 8.283 1.00 55.23 C ATOM 164 O ASP A 13 -20.214 -10.074 8.335 1.00 2.11 O ATOM 165 CB ASP A 13 -18.791 -8.637 10.614 1.00 50.42 C ATOM 166 CG ASP A 13 -20.048 -9.319 11.116 1.00 35.22 C ATOM 167 OD1 ASP A 13 -21.060 -8.618 11.325 1.00 51.31 O ATOM 168 OD2 ASP A 13 -20.020 -10.554 11.300 1.00 0.20 O ATOM 0 H ASP A 13 -20.879 -7.581 9.215 1.00 62.30 H new ATOM 0 HA ASP A 13 -17.947 -7.790 8.829 1.00 41.34 H new ATOM 0 HB2 ASP A 13 -17.940 -9.304 10.752 1.00 50.42 H new ATOM 0 HB3 ASP A 13 -18.599 -7.747 11.214 1.00 50.42 H new ATOM 173 N TRP A 14 -18.139 -9.856 7.495 1.00 61.40 N ATOM 174 CA TRP A 14 -18.251 -11.022 6.625 1.00 75.44 C ATOM 175 C TRP A 14 -17.335 -12.144 7.101 1.00 13.14 C ATOM 176 O TRP A 14 -16.170 -12.216 6.709 1.00 60.31 O ATOM 177 CB TRP A 14 -17.908 -10.643 5.184 1.00 40.41 C ATOM 178 CG TRP A 14 -16.638 -9.857 5.062 1.00 3.32 C ATOM 179 CD1 TRP A 14 -15.413 -10.331 4.689 1.00 20.43 C ATOM 180 CD2 TRP A 14 -16.468 -8.458 5.316 1.00 54.43 C ATOM 181 NE1 TRP A 14 -14.492 -9.312 4.696 1.00 52.30 N ATOM 182 CE2 TRP A 14 -15.114 -8.153 5.076 1.00 53.33 C ATOM 183 CE3 TRP A 14 -17.328 -7.434 5.720 1.00 51.05 C ATOM 184 CZ2 TRP A 14 -14.602 -6.867 5.229 1.00 2.44 C ATOM 185 CZ3 TRP A 14 -16.819 -6.157 5.872 1.00 30.33 C ATOM 186 CH2 TRP A 14 -15.467 -5.883 5.626 1.00 64.03 C ATOM 0 H TRP A 14 -17.242 -9.373 7.441 1.00 61.40 H new ATOM 0 HA TRP A 14 -19.281 -11.377 6.664 1.00 75.44 H new ATOM 0 HB2 TRP A 14 -17.823 -11.551 4.588 1.00 40.41 H new ATOM 0 HB3 TRP A 14 -18.728 -10.061 4.764 1.00 40.41 H new ATOM 0 HD1 TRP A 14 -15.200 -11.357 4.427 1.00 20.43 H new ATOM 0 HE1 TRP A 14 -13.505 -9.404 4.457 1.00 52.30 H new ATOM 0 HE3 TRP A 14 -18.372 -7.636 5.910 1.00 51.05 H new ATOM 0 HZ2 TRP A 14 -13.560 -6.654 5.041 1.00 2.44 H new ATOM 0 HZ3 TRP A 14 -17.474 -5.358 6.185 1.00 30.33 H new ATOM 0 HH2 TRP A 14 -15.100 -4.875 5.752 1.00 64.03 H new ATOM 197 N GLY A 15 -17.869 -13.020 7.946 1.00 72.31 N ATOM 198 CA GLY A 15 -17.085 -14.128 8.460 1.00 71.44 C ATOM 199 C GLY A 15 -16.072 -13.689 9.500 1.00 44.12 C ATOM 200 O GLY A 15 -16.387 -13.602 10.687 1.00 21.53 O ATOM 0 H GLY A 15 -18.831 -12.982 8.284 1.00 72.31 H new ATOM 0 HA2 GLY A 15 -17.753 -14.869 8.898 1.00 71.44 H new ATOM 0 HA3 GLY A 15 -16.566 -14.615 7.635 1.00 71.44 H new ATOM 204 N THR A 16 -14.851 -13.411 9.053 1.00 74.42 N ATOM 205 CA THR A 16 -13.788 -12.981 9.954 1.00 42.43 C ATOM 206 C THR A 16 -13.556 -11.478 9.851 1.00 73.30 C ATOM 207 O THR A 16 -12.948 -10.872 10.733 1.00 30.22 O ATOM 208 CB THR A 16 -12.468 -13.715 9.655 1.00 54.54 C ATOM 209 OG1 THR A 16 -11.489 -13.386 10.647 1.00 34.44 O ATOM 210 CG2 THR A 16 -11.942 -13.344 8.276 1.00 4.05 C ATOM 0 H THR A 16 -14.574 -13.476 8.074 1.00 74.42 H new ATOM 0 HA THR A 16 -14.111 -13.228 10.966 1.00 42.43 H new ATOM 0 HB THR A 16 -12.662 -14.787 9.677 1.00 54.54 H new ATOM 0 HG1 THR A 16 -10.653 -13.858 10.451 1.00 34.44 H new ATOM 0 HG21 THR A 16 -11.009 -13.875 8.088 1.00 4.05 H new ATOM 0 HG22 THR A 16 -12.676 -13.621 7.520 1.00 4.05 H new ATOM 0 HG23 THR A 16 -11.763 -12.270 8.232 1.00 4.05 H new ATOM 218 N GLY A 17 -14.044 -10.880 8.769 1.00 2.34 N ATOM 219 CA GLY A 17 -13.879 -9.452 8.571 1.00 72.22 C ATOM 220 C GLY A 17 -14.993 -8.647 9.212 1.00 52.42 C ATOM 221 O GLY A 17 -16.131 -9.108 9.301 1.00 54.44 O ATOM 0 H GLY A 17 -14.551 -11.359 8.025 1.00 2.34 H new ATOM 0 HA2 GLY A 17 -12.922 -9.138 8.988 1.00 72.22 H new ATOM 0 HA3 GLY A 17 -13.848 -9.237 7.503 1.00 72.22 H new ATOM 225 N PHE A 18 -14.664 -7.439 9.660 1.00 50.10 N ATOM 226 CA PHE A 18 -15.644 -6.568 10.298 1.00 63.24 C ATOM 227 C PHE A 18 -15.524 -5.140 9.776 1.00 40.42 C ATOM 228 O PHE A 18 -14.437 -4.687 9.418 1.00 71.53 O ATOM 229 CB PHE A 18 -15.461 -6.585 11.817 1.00 73.11 C ATOM 230 CG PHE A 18 -14.289 -5.772 12.287 1.00 75.32 C ATOM 231 CD1 PHE A 18 -14.431 -4.421 12.562 1.00 41.34 C ATOM 232 CD2 PHE A 18 -13.044 -6.358 12.457 1.00 63.40 C ATOM 233 CE1 PHE A 18 -13.354 -3.671 12.994 1.00 51.13 C ATOM 234 CE2 PHE A 18 -11.964 -5.613 12.890 1.00 31.13 C ATOM 235 CZ PHE A 18 -12.119 -4.268 13.160 1.00 61.23 C ATOM 0 H PHE A 18 -13.727 -7.042 9.593 1.00 50.10 H new ATOM 0 HA PHE A 18 -16.638 -6.943 10.055 1.00 63.24 H new ATOM 0 HB2 PHE A 18 -16.368 -6.207 12.289 1.00 73.11 H new ATOM 0 HB3 PHE A 18 -15.335 -7.616 12.149 1.00 73.11 H new ATOM 0 HD1 PHE A 18 -15.394 -3.949 12.437 1.00 41.34 H new ATOM 0 HD2 PHE A 18 -12.917 -7.410 12.248 1.00 63.40 H new ATOM 0 HE1 PHE A 18 -13.477 -2.618 13.202 1.00 51.13 H new ATOM 0 HE2 PHE A 18 -11.000 -6.082 13.017 1.00 31.13 H new ATOM 0 HZ PHE A 18 -11.277 -3.684 13.500 1.00 61.23 H new ATOM 245 N GLY A 19 -16.650 -4.434 9.733 1.00 22.14 N ATOM 246 CA GLY A 19 -16.651 -3.065 9.252 1.00 53.22 C ATOM 247 C GLY A 19 -16.861 -2.060 10.367 1.00 44.33 C ATOM 248 O GLY A 19 -17.926 -2.016 10.980 1.00 43.44 O ATOM 0 H GLY A 19 -17.562 -4.786 10.023 1.00 22.14 H new ATOM 0 HA2 GLY A 19 -15.704 -2.857 8.753 1.00 53.22 H new ATOM 0 HA3 GLY A 19 -17.437 -2.946 8.506 1.00 53.22 H new ATOM 252 N GLY A 20 -15.840 -1.249 10.631 1.00 21.11 N ATOM 253 CA GLY A 20 -15.937 -0.251 11.680 1.00 31.02 C ATOM 254 C GLY A 20 -16.575 1.037 11.198 1.00 71.12 C ATOM 255 O GLY A 20 -16.429 1.412 10.034 1.00 70.45 O ATOM 0 H GLY A 20 -14.948 -1.266 10.137 1.00 21.11 H new ATOM 0 HA2 GLY A 20 -16.520 -0.654 12.508 1.00 31.02 H new ATOM 0 HA3 GLY A 20 -14.941 -0.037 12.067 1.00 31.02 H new ATOM 259 N SER A 21 -17.287 1.714 12.094 1.00 54.31 N ATOM 260 CA SER A 21 -17.954 2.965 11.752 1.00 52.13 C ATOM 261 C SER A 21 -17.867 3.961 12.905 1.00 73.20 C ATOM 262 O SER A 21 -18.648 3.897 13.854 1.00 72.13 O ATOM 263 CB SER A 21 -19.419 2.705 11.398 1.00 11.42 C ATOM 264 OG SER A 21 -20.172 3.905 11.433 1.00 22.23 O ATOM 0 H SER A 21 -17.417 1.417 13.061 1.00 54.31 H new ATOM 0 HA SER A 21 -17.448 3.393 10.887 1.00 52.13 H new ATOM 0 HB2 SER A 21 -19.483 2.260 10.405 1.00 11.42 H new ATOM 0 HB3 SER A 21 -19.843 1.985 12.098 1.00 11.42 H new ATOM 0 HG SER A 21 -21.105 3.713 11.202 1.00 22.23 H new ATOM 270 N TRP A 22 -16.911 4.878 12.815 1.00 13.14 N ATOM 271 CA TRP A 22 -16.720 5.888 13.850 1.00 34.11 C ATOM 272 C TRP A 22 -17.542 7.136 13.551 1.00 11.12 C ATOM 273 O TRP A 22 -17.598 7.597 12.409 1.00 72.45 O ATOM 274 CB TRP A 22 -15.240 6.253 13.969 1.00 13.22 C ATOM 275 CG TRP A 22 -14.393 5.135 14.498 1.00 70.31 C ATOM 276 CD1 TRP A 22 -13.630 4.269 13.768 1.00 74.51 C ATOM 277 CD2 TRP A 22 -14.226 4.762 15.870 1.00 75.21 C ATOM 278 NE1 TRP A 22 -12.998 3.380 14.604 1.00 41.24 N ATOM 279 CE2 TRP A 22 -13.346 3.662 15.899 1.00 1.13 C ATOM 280 CE3 TRP A 22 -14.731 5.251 17.078 1.00 41.43 C ATOM 281 CZ2 TRP A 22 -12.964 3.045 17.088 1.00 4.44 C ATOM 282 CZ3 TRP A 22 -14.351 4.637 18.256 1.00 45.12 C ATOM 283 CH2 TRP A 22 -13.475 3.545 18.255 1.00 51.10 C ATOM 0 H TRP A 22 -16.256 4.943 12.036 1.00 13.14 H new ATOM 0 HA TRP A 22 -17.061 5.470 14.797 1.00 34.11 H new ATOM 0 HB2 TRP A 22 -14.866 6.550 12.989 1.00 13.22 H new ATOM 0 HB3 TRP A 22 -15.138 7.118 14.624 1.00 13.22 H new ATOM 0 HD1 TRP A 22 -13.537 4.281 12.692 1.00 74.51 H new ATOM 0 HE1 TRP A 22 -12.371 2.631 14.308 1.00 41.24 H new ATOM 0 HE3 TRP A 22 -15.406 6.094 17.090 1.00 41.43 H new ATOM 0 HZ2 TRP A 22 -12.289 2.202 17.089 1.00 4.44 H new ATOM 0 HZ3 TRP A 22 -14.737 5.006 19.195 1.00 45.12 H new ATOM 0 HH2 TRP A 22 -13.197 3.088 19.193 1.00 51.10 H new ATOM 294 N THR A 23 -18.180 7.681 14.581 1.00 70.44 N ATOM 295 CA THR A 23 -19.000 8.875 14.429 1.00 44.25 C ATOM 296 C THR A 23 -18.389 10.061 15.169 1.00 30.32 C ATOM 297 O THR A 23 -18.421 10.120 16.398 1.00 65.23 O ATOM 298 CB THR A 23 -20.433 8.645 14.946 1.00 34.01 C ATOM 299 OG1 THR A 23 -20.805 7.275 14.760 1.00 30.21 O ATOM 300 CG2 THR A 23 -21.421 9.546 14.222 1.00 44.32 C ATOM 0 H THR A 23 -18.144 7.313 15.532 1.00 70.44 H new ATOM 0 HA THR A 23 -19.039 9.096 13.362 1.00 44.25 H new ATOM 0 HB THR A 23 -20.456 8.888 16.008 1.00 34.01 H new ATOM 0 HG1 THR A 23 -20.355 6.720 15.431 1.00 30.21 H new ATOM 0 HG21 THR A 23 -22.426 9.365 14.604 1.00 44.32 H new ATOM 0 HG22 THR A 23 -21.152 10.589 14.388 1.00 44.32 H new ATOM 0 HG23 THR A 23 -21.395 9.330 13.154 1.00 44.32 H new ATOM 308 N VAL A 24 -17.834 11.003 14.414 1.00 1.14 N ATOM 309 CA VAL A 24 -17.218 12.187 14.998 1.00 71.24 C ATOM 310 C VAL A 24 -18.141 13.396 14.895 1.00 1.03 C ATOM 311 O VAL A 24 -18.691 13.682 13.832 1.00 1.34 O ATOM 312 CB VAL A 24 -15.878 12.519 14.315 1.00 22.34 C ATOM 313 CG1 VAL A 24 -15.153 13.625 15.067 1.00 23.13 C ATOM 314 CG2 VAL A 24 -15.010 11.274 14.214 1.00 10.41 C ATOM 0 H VAL A 24 -17.799 10.969 13.395 1.00 1.14 H new ATOM 0 HA VAL A 24 -17.036 11.961 16.049 1.00 71.24 H new ATOM 0 HB VAL A 24 -16.083 12.875 13.305 1.00 22.34 H new ATOM 0 HG11 VAL A 24 -14.209 13.845 14.569 1.00 23.13 H new ATOM 0 HG12 VAL A 24 -15.773 14.521 15.082 1.00 23.13 H new ATOM 0 HG13 VAL A 24 -14.957 13.302 16.089 1.00 23.13 H new ATOM 0 HG21 VAL A 24 -14.067 11.526 13.729 1.00 10.41 H new ATOM 0 HG22 VAL A 24 -14.812 10.887 15.213 1.00 10.41 H new ATOM 0 HG23 VAL A 24 -15.528 10.516 13.627 1.00 10.41 H new ATOM 324 N LYS A 25 -18.308 14.103 16.007 1.00 63.22 N ATOM 325 CA LYS A 25 -19.164 15.283 16.044 1.00 11.44 C ATOM 326 C LYS A 25 -18.525 16.394 16.870 1.00 51.32 C ATOM 327 O LYS A 25 -18.203 16.202 18.042 1.00 42.22 O ATOM 328 CB LYS A 25 -20.535 14.927 16.623 1.00 31.32 C ATOM 329 CG LYS A 25 -21.633 15.898 16.228 1.00 41.54 C ATOM 330 CD LYS A 25 -22.697 16.005 17.307 1.00 21.21 C ATOM 331 CE LYS A 25 -23.523 14.731 17.404 1.00 72.21 C ATOM 332 NZ LYS A 25 -23.062 13.856 18.517 1.00 30.42 N ATOM 0 H LYS A 25 -17.861 13.879 16.896 1.00 63.22 H new ATOM 0 HA LYS A 25 -19.290 15.641 15.022 1.00 11.44 H new ATOM 0 HB2 LYS A 25 -20.811 13.926 16.292 1.00 31.32 H new ATOM 0 HB3 LYS A 25 -20.464 14.895 17.710 1.00 31.32 H new ATOM 0 HG2 LYS A 25 -21.201 16.881 16.043 1.00 41.54 H new ATOM 0 HG3 LYS A 25 -22.091 15.570 15.295 1.00 41.54 H new ATOM 0 HD2 LYS A 25 -22.223 16.207 18.268 1.00 21.21 H new ATOM 0 HD3 LYS A 25 -23.352 16.849 17.091 1.00 21.21 H new ATOM 0 HE2 LYS A 25 -24.571 14.988 17.554 1.00 72.21 H new ATOM 0 HE3 LYS A 25 -23.461 14.185 16.463 1.00 72.21 H new ATOM 0 HZ1 LYS A 25 -23.701 13.040 18.605 1.00 30.42 H new ATOM 0 HZ2 LYS A 25 -22.098 13.521 18.319 1.00 30.42 H new ATOM 0 HZ3 LYS A 25 -23.065 14.395 19.406 1.00 30.42 H new ATOM 346 N ASN A 26 -18.343 17.556 16.251 1.00 45.55 N ATOM 347 CA ASN A 26 -17.743 18.699 16.931 1.00 24.10 C ATOM 348 C ASN A 26 -18.762 19.819 17.116 1.00 24.53 C ATOM 349 O ASN A 26 -19.390 20.268 16.156 1.00 31.44 O ATOM 350 CB ASN A 26 -16.540 19.214 16.139 1.00 51.43 C ATOM 351 CG ASN A 26 -15.762 18.096 15.474 1.00 30.23 C ATOM 352 OD1 ASN A 26 -15.510 18.130 14.269 1.00 25.42 O ATOM 353 ND2 ASN A 26 -15.378 17.095 16.258 1.00 21.34 N ATOM 0 H ASN A 26 -18.602 17.731 15.280 1.00 45.55 H new ATOM 0 HA ASN A 26 -17.409 18.371 17.915 1.00 24.10 H new ATOM 0 HB2 ASN A 26 -16.883 19.916 15.379 1.00 51.43 H new ATOM 0 HB3 ASN A 26 -15.878 19.766 16.807 1.00 51.43 H new ATOM 0 HD21 ASN A 26 -14.852 16.313 15.867 1.00 21.34 H new ATOM 0 HD22 ASN A 26 -15.609 17.108 17.251 1.00 21.34 H new ATOM 360 N THR A 27 -18.923 20.267 18.357 1.00 71.21 N ATOM 361 CA THR A 27 -19.865 21.333 18.669 1.00 41.25 C ATOM 362 C THR A 27 -19.640 21.872 20.078 1.00 12.31 C ATOM 363 O THR A 27 -19.218 21.141 20.972 1.00 34.41 O ATOM 364 CB THR A 27 -21.323 20.850 18.544 1.00 12.11 C ATOM 365 OG1 THR A 27 -22.218 21.869 19.001 1.00 64.12 O ATOM 366 CG2 THR A 27 -21.541 19.578 19.349 1.00 23.13 C ATOM 0 H THR A 27 -18.412 19.907 19.163 1.00 71.21 H new ATOM 0 HA THR A 27 -19.690 22.129 17.946 1.00 41.25 H new ATOM 0 HB THR A 27 -21.523 20.636 17.494 1.00 12.11 H new ATOM 0 HG1 THR A 27 -23.142 21.555 18.916 1.00 64.12 H new ATOM 0 HG21 THR A 27 -22.577 19.255 19.246 1.00 23.13 H new ATOM 0 HG22 THR A 27 -20.879 18.795 18.979 1.00 23.13 H new ATOM 0 HG23 THR A 27 -21.324 19.771 20.400 1.00 23.13 H new ATOM 374 N GLY A 28 -19.925 23.157 20.268 1.00 53.01 N ATOM 375 CA GLY A 28 -19.747 23.771 21.570 1.00 72.12 C ATOM 376 C GLY A 28 -18.492 24.617 21.646 1.00 71.12 C ATOM 377 O GLY A 28 -18.492 25.691 22.248 1.00 60.32 O ATOM 0 H GLY A 28 -20.276 23.783 19.543 1.00 53.01 H new ATOM 0 HA2 GLY A 28 -20.614 24.392 21.797 1.00 72.12 H new ATOM 0 HA3 GLY A 28 -19.704 22.993 22.332 1.00 72.12 H new ATOM 381 N THR A 29 -17.415 24.132 21.035 1.00 34.42 N ATOM 382 CA THR A 29 -16.146 24.848 21.039 1.00 41.52 C ATOM 383 C THR A 29 -16.055 25.811 19.860 1.00 3.14 C ATOM 384 O THR A 29 -16.886 25.776 18.950 1.00 75.21 O ATOM 385 CB THR A 29 -14.952 23.878 20.986 1.00 73.41 C ATOM 386 OG1 THR A 29 -13.725 24.600 21.140 1.00 44.35 O ATOM 387 CG2 THR A 29 -14.934 23.112 19.673 1.00 20.54 C ATOM 0 H THR A 29 -17.397 23.245 20.531 1.00 34.42 H new ATOM 0 HA THR A 29 -16.105 25.412 21.971 1.00 41.52 H new ATOM 0 HB THR A 29 -15.057 23.164 21.803 1.00 73.41 H new ATOM 0 HG1 THR A 29 -12.971 23.975 21.107 1.00 44.35 H new ATOM 0 HG21 THR A 29 -14.081 22.433 19.659 1.00 20.54 H new ATOM 0 HG22 THR A 29 -15.856 22.539 19.574 1.00 20.54 H new ATOM 0 HG23 THR A 29 -14.852 23.814 18.843 1.00 20.54 H new ATOM 395 N THR A 30 -15.042 26.671 19.879 1.00 32.32 N ATOM 396 CA THR A 30 -14.843 27.643 18.811 1.00 74.43 C ATOM 397 C THR A 30 -14.629 26.951 17.471 1.00 24.04 C ATOM 398 O THR A 30 -14.771 25.733 17.360 1.00 32.13 O ATOM 399 CB THR A 30 -13.638 28.557 19.102 1.00 72.21 C ATOM 400 OG1 THR A 30 -12.420 27.811 18.996 1.00 41.13 O ATOM 401 CG2 THR A 30 -13.743 29.168 20.491 1.00 24.52 C ATOM 0 H THR A 30 -14.346 26.714 20.623 1.00 32.32 H new ATOM 0 HA THR A 30 -15.747 28.250 18.763 1.00 74.43 H new ATOM 0 HB THR A 30 -13.637 29.362 18.367 1.00 72.21 H new ATOM 0 HG1 THR A 30 -11.659 28.400 19.181 1.00 41.13 H new ATOM 0 HG21 THR A 30 -12.880 29.809 20.673 1.00 24.52 H new ATOM 0 HG22 THR A 30 -14.656 29.760 20.560 1.00 24.52 H new ATOM 0 HG23 THR A 30 -13.768 28.374 21.237 1.00 24.52 H new ATOM 409 N SER A 31 -14.288 27.734 16.453 1.00 42.34 N ATOM 410 CA SER A 31 -14.057 27.196 15.117 1.00 43.41 C ATOM 411 C SER A 31 -13.075 26.031 15.163 1.00 33.41 C ATOM 412 O SER A 31 -11.977 26.149 15.709 1.00 45.35 O ATOM 413 CB SER A 31 -13.526 28.290 14.189 1.00 42.14 C ATOM 414 OG SER A 31 -14.120 29.542 14.483 1.00 4.10 O ATOM 0 H SER A 31 -14.165 28.744 16.528 1.00 42.34 H new ATOM 0 HA SER A 31 -15.008 26.831 14.729 1.00 43.41 H new ATOM 0 HB2 SER A 31 -12.443 28.365 14.292 1.00 42.14 H new ATOM 0 HB3 SER A 31 -13.730 28.022 13.152 1.00 42.14 H new ATOM 0 HG SER A 31 -13.762 30.224 13.877 1.00 4.10 H new ATOM 420 N LEU A 32 -13.477 24.904 14.585 1.00 53.22 N ATOM 421 CA LEU A 32 -12.633 23.715 14.559 1.00 34.34 C ATOM 422 C LEU A 32 -11.695 23.739 13.357 1.00 14.15 C ATOM 423 O LEU A 32 -11.658 24.712 12.605 1.00 5.32 O ATOM 424 CB LEU A 32 -13.496 22.452 14.521 1.00 44.45 C ATOM 425 CG LEU A 32 -13.160 21.377 15.555 1.00 5.13 C ATOM 426 CD1 LEU A 32 -14.008 21.554 16.805 1.00 44.55 C ATOM 427 CD2 LEU A 32 -13.360 19.989 14.964 1.00 1.10 C ATOM 0 H LEU A 32 -14.382 24.789 14.128 1.00 53.22 H new ATOM 0 HA LEU A 32 -12.030 23.709 15.467 1.00 34.34 H new ATOM 0 HB2 LEU A 32 -14.538 22.744 14.655 1.00 44.45 H new ATOM 0 HB3 LEU A 32 -13.414 22.010 13.528 1.00 44.45 H new ATOM 0 HG LEU A 32 -12.112 21.484 15.835 1.00 5.13 H new ATOM 0 HD11 LEU A 32 -13.755 20.780 17.529 1.00 44.55 H new ATOM 0 HD12 LEU A 32 -13.815 22.535 17.240 1.00 44.55 H new ATOM 0 HD13 LEU A 32 -15.063 21.475 16.543 1.00 44.55 H new ATOM 0 HD21 LEU A 32 -13.116 19.236 15.713 1.00 1.10 H new ATOM 0 HD22 LEU A 32 -14.399 19.871 14.655 1.00 1.10 H new ATOM 0 HD23 LEU A 32 -12.708 19.864 14.099 1.00 1.10 H new ATOM 439 N SER A 33 -10.938 22.660 13.180 1.00 34.30 N ATOM 440 CA SER A 33 -9.998 22.558 12.071 1.00 2.23 C ATOM 441 C SER A 33 -9.977 21.142 11.505 1.00 30.51 C ATOM 442 O SER A 33 -10.153 20.937 10.305 1.00 5.44 O ATOM 443 CB SER A 33 -8.594 22.959 12.525 1.00 1.44 C ATOM 444 OG SER A 33 -8.498 22.968 13.939 1.00 62.02 O ATOM 0 H SER A 33 -10.958 21.844 13.792 1.00 34.30 H new ATOM 0 HA SER A 33 -10.326 23.239 11.286 1.00 2.23 H new ATOM 0 HB2 SER A 33 -7.863 22.264 12.112 1.00 1.44 H new ATOM 0 HB3 SER A 33 -8.351 23.947 12.135 1.00 1.44 H new ATOM 0 HG SER A 33 -7.590 23.226 14.204 1.00 62.02 H new ATOM 450 N SER A 34 -9.759 20.165 12.381 1.00 23.11 N ATOM 451 CA SER A 34 -9.710 18.767 11.969 1.00 24.51 C ATOM 452 C SER A 34 -10.088 17.847 13.128 1.00 12.34 C ATOM 453 O SER A 34 -10.315 18.303 14.248 1.00 4.24 O ATOM 454 CB SER A 34 -8.314 18.413 11.456 1.00 11.35 C ATOM 455 OG SER A 34 -7.528 17.825 12.478 1.00 22.40 O ATOM 0 H SER A 34 -9.614 20.316 13.379 1.00 23.11 H new ATOM 0 HA SER A 34 -10.431 18.625 11.164 1.00 24.51 H new ATOM 0 HB2 SER A 34 -8.396 17.725 10.615 1.00 11.35 H new ATOM 0 HB3 SER A 34 -7.821 19.312 11.085 1.00 11.35 H new ATOM 0 HG SER A 34 -6.641 17.607 12.124 1.00 22.40 H new ATOM 461 N TRP A 35 -10.150 16.551 12.847 1.00 21.54 N ATOM 462 CA TRP A 35 -10.500 15.566 13.865 1.00 33.35 C ATOM 463 C TRP A 35 -9.556 14.369 13.810 1.00 34.14 C ATOM 464 O TRP A 35 -9.367 13.761 12.756 1.00 31.50 O ATOM 465 CB TRP A 35 -11.945 15.100 13.678 1.00 34.25 C ATOM 466 CG TRP A 35 -12.290 14.791 12.253 1.00 14.25 C ATOM 467 CD1 TRP A 35 -12.740 15.670 11.310 1.00 22.13 C ATOM 468 CD2 TRP A 35 -12.214 13.513 11.610 1.00 40.34 C ATOM 469 NE1 TRP A 35 -12.950 15.016 10.119 1.00 73.12 N ATOM 470 CE2 TRP A 35 -12.634 13.692 10.277 1.00 73.32 C ATOM 471 CE3 TRP A 35 -11.831 12.236 12.030 1.00 42.41 C ATOM 472 CZ2 TRP A 35 -12.680 12.641 9.365 1.00 63.14 C ATOM 473 CZ3 TRP A 35 -11.879 11.195 11.123 1.00 22.23 C ATOM 474 CH2 TRP A 35 -12.300 11.402 9.803 1.00 4.12 C ATOM 0 H TRP A 35 -9.963 16.157 11.925 1.00 21.54 H new ATOM 0 HA TRP A 35 -10.402 16.039 14.842 1.00 33.35 H new ATOM 0 HB2 TRP A 35 -12.114 14.211 14.286 1.00 34.25 H new ATOM 0 HB3 TRP A 35 -12.619 15.873 14.048 1.00 34.25 H new ATOM 0 HD1 TRP A 35 -12.907 16.724 11.475 1.00 22.13 H new ATOM 0 HE1 TRP A 35 -13.286 15.446 9.258 1.00 73.12 H new ATOM 0 HE3 TRP A 35 -11.504 12.066 13.045 1.00 42.41 H new ATOM 0 HZ2 TRP A 35 -13.004 12.798 8.347 1.00 63.14 H new ATOM 0 HZ3 TRP A 35 -11.587 10.204 11.437 1.00 22.23 H new ATOM 0 HH2 TRP A 35 -12.325 10.567 9.118 1.00 4.12 H new ATOM 485 N THR A 36 -8.964 14.035 14.953 1.00 33.50 N ATOM 486 CA THR A 36 -8.039 12.912 15.035 1.00 32.13 C ATOM 487 C THR A 36 -8.530 11.866 16.030 1.00 62.00 C ATOM 488 O THR A 36 -8.385 12.031 17.241 1.00 20.45 O ATOM 489 CB THR A 36 -6.629 13.374 15.449 1.00 11.34 C ATOM 490 OG1 THR A 36 -6.636 14.780 15.722 1.00 75.52 O ATOM 491 CG2 THR A 36 -5.617 13.071 14.354 1.00 21.25 C ATOM 0 H THR A 36 -9.109 14.527 15.835 1.00 33.50 H new ATOM 0 HA THR A 36 -7.991 12.470 14.040 1.00 32.13 H new ATOM 0 HB THR A 36 -6.341 12.830 16.349 1.00 11.34 H new ATOM 0 HG1 THR A 36 -5.737 15.066 15.986 1.00 75.52 H new ATOM 0 HG21 THR A 36 -4.629 13.406 14.669 1.00 21.25 H new ATOM 0 HG22 THR A 36 -5.594 11.997 14.167 1.00 21.25 H new ATOM 0 HG23 THR A 36 -5.903 13.592 13.440 1.00 21.25 H new ATOM 499 N VAL A 37 -9.112 10.790 15.511 1.00 11.14 N ATOM 500 CA VAL A 37 -9.623 9.715 16.354 1.00 43.25 C ATOM 501 C VAL A 37 -8.658 8.535 16.387 1.00 43.41 C ATOM 502 O VAL A 37 -8.558 7.775 15.424 1.00 64.25 O ATOM 503 CB VAL A 37 -10.999 9.225 15.865 1.00 21.40 C ATOM 504 CG1 VAL A 37 -11.637 8.308 16.898 1.00 11.22 C ATOM 505 CG2 VAL A 37 -11.906 10.406 15.556 1.00 41.34 C ATOM 0 H VAL A 37 -9.242 10.639 14.511 1.00 11.14 H new ATOM 0 HA VAL A 37 -9.726 10.123 17.359 1.00 43.25 H new ATOM 0 HB VAL A 37 -10.857 8.655 14.947 1.00 21.40 H new ATOM 0 HG11 VAL A 37 -12.608 7.972 16.535 1.00 11.22 H new ATOM 0 HG12 VAL A 37 -10.993 7.444 17.065 1.00 11.22 H new ATOM 0 HG13 VAL A 37 -11.767 8.850 17.835 1.00 11.22 H new ATOM 0 HG21 VAL A 37 -12.874 10.041 15.212 1.00 41.34 H new ATOM 0 HG22 VAL A 37 -12.043 11.005 16.456 1.00 41.34 H new ATOM 0 HG23 VAL A 37 -11.452 11.020 14.778 1.00 41.34 H new ATOM 515 N GLU A 38 -7.948 8.389 17.501 1.00 62.10 N ATOM 516 CA GLU A 38 -6.990 7.301 17.659 1.00 53.24 C ATOM 517 C GLU A 38 -7.376 6.402 18.830 1.00 51.35 C ATOM 518 O GLU A 38 -7.941 6.864 19.821 1.00 61.24 O ATOM 519 CB GLU A 38 -5.582 7.860 17.873 1.00 54.25 C ATOM 520 CG GLU A 38 -5.391 9.261 17.317 1.00 43.24 C ATOM 521 CD GLU A 38 -3.933 9.668 17.249 1.00 0.51 C ATOM 522 OE1 GLU A 38 -3.062 8.784 17.388 1.00 54.15 O ATOM 523 OE2 GLU A 38 -3.661 10.873 17.054 1.00 23.32 O ATOM 0 H GLU A 38 -8.018 9.010 18.307 1.00 62.10 H new ATOM 0 HA GLU A 38 -7.002 6.705 16.747 1.00 53.24 H new ATOM 0 HB2 GLU A 38 -5.363 7.869 18.941 1.00 54.25 H new ATOM 0 HB3 GLU A 38 -4.860 7.191 17.405 1.00 54.25 H new ATOM 0 HG2 GLU A 38 -5.826 9.314 16.319 1.00 43.24 H new ATOM 0 HG3 GLU A 38 -5.934 9.972 17.940 1.00 43.24 H new ATOM 530 N TRP A 39 -7.066 5.117 18.708 1.00 3.24 N ATOM 531 CA TRP A 39 -7.382 4.151 19.754 1.00 55.24 C ATOM 532 C TRP A 39 -6.342 3.038 19.798 1.00 75.10 C ATOM 533 O TRP A 39 -5.519 2.908 18.891 1.00 73.42 O ATOM 534 CB TRP A 39 -8.772 3.558 19.529 1.00 64.32 C ATOM 535 CG TRP A 39 -9.447 4.079 18.296 1.00 44.31 C ATOM 536 CD1 TRP A 39 -10.497 4.951 18.243 1.00 24.41 C ATOM 537 CD2 TRP A 39 -9.120 3.760 16.939 1.00 73.41 C ATOM 538 NE1 TRP A 39 -10.843 5.191 16.935 1.00 42.51 N ATOM 539 CE2 TRP A 39 -10.011 4.474 16.116 1.00 42.31 C ATOM 540 CE3 TRP A 39 -8.157 2.941 16.340 1.00 64.15 C ATOM 541 CZ2 TRP A 39 -9.970 4.392 14.727 1.00 15.42 C ATOM 542 CZ3 TRP A 39 -8.117 2.861 14.962 1.00 51.44 C ATOM 543 CH2 TRP A 39 -9.017 3.583 14.167 1.00 40.23 C ATOM 0 H TRP A 39 -6.596 4.719 17.895 1.00 3.24 H new ATOM 0 HA TRP A 39 -7.370 4.673 20.711 1.00 55.24 H new ATOM 0 HB2 TRP A 39 -8.690 2.473 19.459 1.00 64.32 H new ATOM 0 HB3 TRP A 39 -9.396 3.775 20.396 1.00 64.32 H new ATOM 0 HD1 TRP A 39 -10.984 5.388 19.103 1.00 24.41 H new ATOM 0 HE1 TRP A 39 -11.597 5.804 16.624 1.00 42.51 H new ATOM 0 HE3 TRP A 39 -7.458 2.382 16.944 1.00 64.15 H new ATOM 0 HZ2 TRP A 39 -10.664 4.946 14.113 1.00 15.42 H new ATOM 0 HZ3 TRP A 39 -7.379 2.231 14.489 1.00 51.44 H new ATOM 0 HH2 TRP A 39 -8.958 3.500 13.092 1.00 40.23 H new ATOM 554 N ASP A 40 -6.383 2.236 20.857 1.00 62.42 N ATOM 555 CA ASP A 40 -5.445 1.131 21.018 1.00 42.23 C ATOM 556 C ASP A 40 -6.073 -0.185 20.569 1.00 71.24 C ATOM 557 O ASP A 40 -7.175 -0.535 20.992 1.00 62.24 O ATOM 558 CB ASP A 40 -4.994 1.026 22.475 1.00 74.43 C ATOM 559 CG ASP A 40 -3.530 0.655 22.603 1.00 12.41 C ATOM 560 OD1 ASP A 40 -2.723 1.127 21.773 1.00 24.15 O ATOM 561 OD2 ASP A 40 -3.188 -0.105 23.533 1.00 5.31 O ATOM 0 H ASP A 40 -7.056 2.331 21.617 1.00 62.42 H new ATOM 0 HA ASP A 40 -4.576 1.329 20.391 1.00 42.23 H new ATOM 0 HB2 ASP A 40 -5.170 1.978 22.976 1.00 74.43 H new ATOM 0 HB3 ASP A 40 -5.601 0.279 22.987 1.00 74.43 H new ATOM 566 N PHE A 41 -5.365 -0.911 19.711 1.00 71.15 N ATOM 567 CA PHE A 41 -5.853 -2.188 19.204 1.00 41.35 C ATOM 568 C PHE A 41 -4.999 -3.341 19.721 1.00 62.14 C ATOM 569 O PHE A 41 -4.153 -3.888 19.013 1.00 64.42 O ATOM 570 CB PHE A 41 -5.855 -2.186 17.674 1.00 61.33 C ATOM 571 CG PHE A 41 -7.162 -1.751 17.077 1.00 42.21 C ATOM 572 CD1 PHE A 41 -8.359 -2.274 17.540 1.00 34.05 C ATOM 573 CD2 PHE A 41 -7.195 -0.819 16.051 1.00 21.10 C ATOM 574 CE1 PHE A 41 -9.564 -1.877 16.991 1.00 53.23 C ATOM 575 CE2 PHE A 41 -8.397 -0.418 15.499 1.00 53.21 C ATOM 576 CZ PHE A 41 -9.583 -0.946 15.970 1.00 13.12 C ATOM 0 H PHE A 41 -4.451 -0.637 19.352 1.00 71.15 H new ATOM 0 HA PHE A 41 -6.873 -2.326 19.562 1.00 41.35 H new ATOM 0 HB2 PHE A 41 -5.064 -1.525 17.318 1.00 61.33 H new ATOM 0 HB3 PHE A 41 -5.617 -3.188 17.317 1.00 61.33 H new ATOM 0 HD1 PHE A 41 -8.350 -3.000 18.339 1.00 34.05 H new ATOM 0 HD2 PHE A 41 -6.271 -0.402 15.679 1.00 21.10 H new ATOM 0 HE1 PHE A 41 -10.490 -2.294 17.360 1.00 53.23 H new ATOM 0 HE2 PHE A 41 -8.409 0.308 14.700 1.00 53.21 H new ATOM 0 HZ PHE A 41 -10.523 -0.632 15.541 1.00 13.12 H new ATOM 586 N PRO A 42 -5.224 -3.721 20.988 1.00 41.23 N ATOM 587 CA PRO A 42 -4.485 -4.813 21.630 1.00 64.20 C ATOM 588 C PRO A 42 -4.849 -6.176 21.053 1.00 33.34 C ATOM 589 O PRO A 42 -3.974 -6.963 20.691 1.00 55.01 O ATOM 590 CB PRO A 42 -4.917 -4.719 23.096 1.00 54.00 C ATOM 591 CG PRO A 42 -6.254 -4.065 23.056 1.00 24.21 C ATOM 592 CD PRO A 42 -6.216 -3.114 21.891 1.00 61.14 C ATOM 0 HA PRO A 42 -3.409 -4.720 21.482 1.00 64.20 H new ATOM 0 HB2 PRO A 42 -4.973 -5.705 23.556 1.00 54.00 H new ATOM 0 HB3 PRO A 42 -4.207 -4.134 23.681 1.00 54.00 H new ATOM 0 HG2 PRO A 42 -7.046 -4.803 22.931 1.00 24.21 H new ATOM 0 HG3 PRO A 42 -6.457 -3.534 23.986 1.00 24.21 H new ATOM 0 HD2 PRO A 42 -7.192 -3.024 21.414 1.00 61.14 H new ATOM 0 HD3 PRO A 42 -5.918 -2.112 22.200 1.00 61.14 H new ATOM 600 N THR A 43 -6.147 -6.451 20.970 1.00 2.12 N ATOM 601 CA THR A 43 -6.627 -7.720 20.438 1.00 22.12 C ATOM 602 C THR A 43 -6.423 -7.796 18.929 1.00 32.00 C ATOM 603 O THR A 43 -6.529 -6.792 18.227 1.00 63.22 O ATOM 604 CB THR A 43 -8.120 -7.933 20.753 1.00 35.32 C ATOM 605 OG1 THR A 43 -8.525 -7.063 21.816 1.00 1.02 O ATOM 606 CG2 THR A 43 -8.390 -9.378 21.143 1.00 32.11 C ATOM 0 H THR A 43 -6.885 -5.811 21.265 1.00 2.12 H new ATOM 0 HA THR A 43 -6.045 -8.505 20.921 1.00 22.12 H new ATOM 0 HB THR A 43 -8.695 -7.702 19.856 1.00 35.32 H new ATOM 0 HG1 THR A 43 -9.475 -7.203 22.009 1.00 1.02 H new ATOM 0 HG21 THR A 43 -9.451 -9.504 21.361 1.00 32.11 H new ATOM 0 HG22 THR A 43 -8.108 -10.036 20.321 1.00 32.11 H new ATOM 0 HG23 THR A 43 -7.805 -9.631 22.027 1.00 32.11 H new ATOM 614 N GLY A 44 -6.128 -8.996 18.436 1.00 65.13 N ATOM 615 CA GLY A 44 -5.914 -9.181 17.013 1.00 71.21 C ATOM 616 C GLY A 44 -6.832 -8.316 16.171 1.00 30.23 C ATOM 617 O GLY A 44 -7.989 -8.668 15.939 1.00 70.54 O ATOM 0 H GLY A 44 -6.034 -9.843 18.997 1.00 65.13 H new ATOM 0 HA2 GLY A 44 -4.877 -8.947 16.771 1.00 71.21 H new ATOM 0 HA3 GLY A 44 -6.072 -10.229 16.758 1.00 71.21 H new ATOM 621 N THR A 45 -6.316 -7.180 15.712 1.00 73.32 N ATOM 622 CA THR A 45 -7.098 -6.262 14.894 1.00 60.23 C ATOM 623 C THR A 45 -6.195 -5.411 14.007 1.00 63.41 C ATOM 624 O THR A 45 -5.033 -5.172 14.335 1.00 13.21 O ATOM 625 CB THR A 45 -7.965 -5.333 15.765 1.00 1.02 C ATOM 626 OG1 THR A 45 -7.184 -4.795 16.837 1.00 33.21 O ATOM 627 CG2 THR A 45 -9.162 -6.083 16.330 1.00 75.14 C ATOM 0 H THR A 45 -5.360 -6.874 15.893 1.00 73.32 H new ATOM 0 HA THR A 45 -7.748 -6.872 14.267 1.00 60.23 H new ATOM 0 HB THR A 45 -8.329 -4.519 15.138 1.00 1.02 H new ATOM 0 HG1 THR A 45 -7.493 -3.888 17.044 1.00 33.21 H new ATOM 0 HG21 THR A 45 -9.759 -5.407 16.942 1.00 75.14 H new ATOM 0 HG22 THR A 45 -9.771 -6.466 15.511 1.00 75.14 H new ATOM 0 HG23 THR A 45 -8.814 -6.915 16.943 1.00 75.14 H new ATOM 635 N LYS A 46 -6.738 -4.956 12.883 1.00 53.34 N ATOM 636 CA LYS A 46 -5.982 -4.129 11.949 1.00 3.41 C ATOM 637 C LYS A 46 -6.880 -3.618 10.827 1.00 14.34 C ATOM 638 O LYS A 46 -7.611 -4.388 10.203 1.00 71.41 O ATOM 639 CB LYS A 46 -4.815 -4.925 11.361 1.00 0.05 C ATOM 640 CG LYS A 46 -5.240 -6.212 10.675 1.00 62.43 C ATOM 641 CD LYS A 46 -4.426 -7.399 11.162 1.00 70.52 C ATOM 642 CE LYS A 46 -2.952 -7.239 10.827 1.00 41.22 C ATOM 643 NZ LYS A 46 -2.296 -8.551 10.571 1.00 14.53 N ATOM 0 H LYS A 46 -7.698 -5.146 12.597 1.00 53.34 H new ATOM 0 HA LYS A 46 -5.589 -3.272 12.496 1.00 3.41 H new ATOM 0 HB2 LYS A 46 -4.284 -4.299 10.644 1.00 0.05 H new ATOM 0 HB3 LYS A 46 -4.111 -5.164 12.158 1.00 0.05 H new ATOM 0 HG2 LYS A 46 -6.298 -6.393 10.864 1.00 62.43 H new ATOM 0 HG3 LYS A 46 -5.122 -6.107 9.597 1.00 62.43 H new ATOM 0 HD2 LYS A 46 -4.546 -7.506 12.240 1.00 70.52 H new ATOM 0 HD3 LYS A 46 -4.806 -8.314 10.707 1.00 70.52 H new ATOM 0 HE2 LYS A 46 -2.846 -6.603 9.948 1.00 41.22 H new ATOM 0 HE3 LYS A 46 -2.445 -6.734 11.649 1.00 41.22 H new ATOM 0 HZ1 LYS A 46 -1.292 -8.399 10.346 1.00 14.53 H new ATOM 0 HZ2 LYS A 46 -2.374 -9.149 11.418 1.00 14.53 H new ATOM 0 HZ3 LYS A 46 -2.763 -9.022 9.770 1.00 14.53 H new ATOM 657 N VAL A 47 -6.818 -2.315 10.572 1.00 71.21 N ATOM 658 CA VAL A 47 -7.623 -1.701 9.523 1.00 32.54 C ATOM 659 C VAL A 47 -7.004 -1.933 8.149 1.00 60.20 C ATOM 660 O VAL A 47 -6.219 -1.117 7.664 1.00 14.04 O ATOM 661 CB VAL A 47 -7.785 -0.188 9.753 1.00 44.22 C ATOM 662 CG1 VAL A 47 -8.599 0.439 8.630 1.00 63.50 C ATOM 663 CG2 VAL A 47 -8.430 0.080 11.103 1.00 61.33 C ATOM 0 H VAL A 47 -6.218 -1.664 11.078 1.00 71.21 H new ATOM 0 HA VAL A 47 -8.605 -2.173 9.560 1.00 32.54 H new ATOM 0 HB VAL A 47 -6.796 0.270 9.752 1.00 44.22 H new ATOM 0 HG11 VAL A 47 -8.703 1.509 8.810 1.00 63.50 H new ATOM 0 HG12 VAL A 47 -8.091 0.279 7.679 1.00 63.50 H new ATOM 0 HG13 VAL A 47 -9.587 -0.021 8.596 1.00 63.50 H new ATOM 0 HG21 VAL A 47 -8.537 1.155 11.248 1.00 61.33 H new ATOM 0 HG22 VAL A 47 -9.413 -0.390 11.136 1.00 61.33 H new ATOM 0 HG23 VAL A 47 -7.804 -0.333 11.894 1.00 61.33 H new ATOM 673 N THR A 48 -7.362 -3.051 7.524 1.00 63.13 N ATOM 674 CA THR A 48 -6.842 -3.390 6.206 1.00 1.00 C ATOM 675 C THR A 48 -7.278 -2.368 5.163 1.00 11.22 C ATOM 676 O THR A 48 -6.505 -2.004 4.276 1.00 32.32 O ATOM 677 CB THR A 48 -7.307 -4.791 5.763 1.00 44.42 C ATOM 678 OG1 THR A 48 -6.813 -5.781 6.670 1.00 73.02 O ATOM 679 CG2 THR A 48 -6.824 -5.099 4.353 1.00 35.13 C ATOM 0 H THR A 48 -8.010 -3.737 7.910 1.00 63.13 H new ATOM 0 HA THR A 48 -5.755 -3.383 6.283 1.00 1.00 H new ATOM 0 HB THR A 48 -8.397 -4.808 5.769 1.00 44.42 H new ATOM 0 HG1 THR A 48 -7.115 -6.668 6.382 1.00 73.02 H new ATOM 0 HG21 THR A 48 -7.164 -6.093 4.061 1.00 35.13 H new ATOM 0 HG22 THR A 48 -7.227 -4.360 3.661 1.00 35.13 H new ATOM 0 HG23 THR A 48 -5.735 -5.065 4.326 1.00 35.13 H new ATOM 687 N SER A 49 -8.519 -1.907 5.275 1.00 30.31 N ATOM 688 CA SER A 49 -9.059 -0.928 4.338 1.00 60.01 C ATOM 689 C SER A 49 -9.639 0.272 5.081 1.00 23.33 C ATOM 690 O SER A 49 -10.185 0.133 6.176 1.00 12.53 O ATOM 691 CB SER A 49 -10.136 -1.570 3.461 1.00 61.33 C ATOM 692 OG SER A 49 -9.663 -1.780 2.143 1.00 54.52 O ATOM 0 H SER A 49 -9.170 -2.195 6.005 1.00 30.31 H new ATOM 0 HA SER A 49 -8.244 -0.581 3.703 1.00 60.01 H new ATOM 0 HB2 SER A 49 -10.444 -2.521 3.896 1.00 61.33 H new ATOM 0 HB3 SER A 49 -11.018 -0.930 3.436 1.00 61.33 H new ATOM 0 HG SER A 49 -10.370 -2.193 1.604 1.00 54.52 H new ATOM 698 N ALA A 50 -9.516 1.449 4.477 1.00 44.23 N ATOM 699 CA ALA A 50 -10.030 2.674 5.079 1.00 22.41 C ATOM 700 C ALA A 50 -10.550 3.633 4.014 1.00 53.20 C ATOM 701 O ALA A 50 -9.863 3.917 3.032 1.00 72.41 O ATOM 702 CB ALA A 50 -8.950 3.344 5.914 1.00 40.30 C ATOM 0 H ALA A 50 -9.065 1.581 3.572 1.00 44.23 H new ATOM 0 HA ALA A 50 -10.864 2.409 5.729 1.00 22.41 H new ATOM 0 HB1 ALA A 50 -9.347 4.257 6.358 1.00 40.30 H new ATOM 0 HB2 ALA A 50 -8.629 2.666 6.705 1.00 40.30 H new ATOM 0 HB3 ALA A 50 -8.099 3.590 5.279 1.00 40.30 H new ATOM 708 N TRP A 51 -11.765 4.128 4.213 1.00 23.40 N ATOM 709 CA TRP A 51 -12.378 5.056 3.268 1.00 33.35 C ATOM 710 C TRP A 51 -12.909 6.291 3.985 1.00 62.32 C ATOM 711 O TRP A 51 -13.422 6.200 5.101 1.00 41.24 O ATOM 712 CB TRP A 51 -13.511 4.366 2.507 1.00 20.55 C ATOM 713 CG TRP A 51 -14.488 3.666 3.402 1.00 43.22 C ATOM 714 CD1 TRP A 51 -15.492 4.241 4.128 1.00 60.24 C ATOM 715 CD2 TRP A 51 -14.554 2.260 3.666 1.00 72.43 C ATOM 716 NE1 TRP A 51 -16.177 3.278 4.829 1.00 0.51 N ATOM 717 CE2 TRP A 51 -15.622 2.054 4.562 1.00 43.31 C ATOM 718 CE3 TRP A 51 -13.816 1.156 3.233 1.00 23.53 C ATOM 719 CZ2 TRP A 51 -15.967 0.790 5.030 1.00 74.31 C ATOM 720 CZ3 TRP A 51 -14.159 -0.099 3.699 1.00 64.32 C ATOM 721 CH2 TRP A 51 -15.227 -0.274 4.590 1.00 33.34 C ATOM 0 H TRP A 51 -12.347 3.903 5.020 1.00 23.40 H new ATOM 0 HA TRP A 51 -11.613 5.372 2.559 1.00 33.35 H new ATOM 0 HB2 TRP A 51 -14.043 5.107 1.910 1.00 20.55 H new ATOM 0 HB3 TRP A 51 -13.084 3.643 1.811 1.00 20.55 H new ATOM 0 HD1 TRP A 51 -15.715 5.298 4.148 1.00 60.24 H new ATOM 0 HE1 TRP A 51 -16.970 3.447 5.448 1.00 0.51 H new ATOM 0 HE3 TRP A 51 -12.992 1.281 2.546 1.00 23.53 H new ATOM 0 HZ2 TRP A 51 -16.790 0.653 5.716 1.00 74.31 H new ATOM 0 HZ3 TRP A 51 -13.595 -0.960 3.371 1.00 64.32 H new ATOM 0 HH2 TRP A 51 -15.471 -1.268 4.936 1.00 33.34 H new ATOM 732 N ASP A 52 -12.784 7.445 3.338 1.00 15.01 N ATOM 733 CA ASP A 52 -13.252 8.700 3.914 1.00 73.12 C ATOM 734 C ASP A 52 -12.476 9.039 5.183 1.00 13.45 C ATOM 735 O ASP A 52 -12.893 9.888 5.970 1.00 21.35 O ATOM 736 CB ASP A 52 -14.748 8.616 4.224 1.00 52.32 C ATOM 737 CG ASP A 52 -15.448 9.950 4.059 1.00 4.51 C ATOM 738 OD1 ASP A 52 -15.665 10.367 2.902 1.00 42.22 O ATOM 739 OD2 ASP A 52 -15.781 10.576 5.086 1.00 63.42 O ATOM 0 H ASP A 52 -12.362 7.537 2.414 1.00 15.01 H new ATOM 0 HA ASP A 52 -13.083 9.492 3.184 1.00 73.12 H new ATOM 0 HB2 ASP A 52 -15.212 7.881 3.566 1.00 52.32 H new ATOM 0 HB3 ASP A 52 -14.885 8.261 5.245 1.00 52.32 H new ATOM 744 N ALA A 53 -11.344 8.370 5.374 1.00 33.24 N ATOM 745 CA ALA A 53 -10.509 8.601 6.547 1.00 14.24 C ATOM 746 C ALA A 53 -9.186 7.850 6.435 1.00 4.00 C ATOM 747 O ALA A 53 -9.162 6.622 6.341 1.00 25.43 O ATOM 748 CB ALA A 53 -11.247 8.187 7.810 1.00 73.31 C ATOM 0 H ALA A 53 -10.984 7.664 4.732 1.00 33.24 H new ATOM 0 HA ALA A 53 -10.289 9.667 6.601 1.00 14.24 H new ATOM 0 HB1 ALA A 53 -10.612 8.365 8.678 1.00 73.31 H new ATOM 0 HB2 ALA A 53 -12.162 8.771 7.905 1.00 73.31 H new ATOM 0 HB3 ALA A 53 -11.497 7.127 7.755 1.00 73.31 H new ATOM 754 N THR A 54 -8.085 8.595 6.445 1.00 11.33 N ATOM 755 CA THR A 54 -6.759 8.001 6.342 1.00 33.11 C ATOM 756 C THR A 54 -6.325 7.391 7.671 1.00 0.14 C ATOM 757 O THR A 54 -5.969 8.105 8.607 1.00 43.23 O ATOM 758 CB THR A 54 -5.709 9.039 5.901 1.00 22.43 C ATOM 759 OG1 THR A 54 -6.042 9.551 4.606 1.00 4.31 O ATOM 760 CG2 THR A 54 -4.319 8.422 5.865 1.00 72.43 C ATOM 0 H THR A 54 -8.086 9.612 6.524 1.00 11.33 H new ATOM 0 HA THR A 54 -6.823 7.217 5.588 1.00 33.11 H new ATOM 0 HB THR A 54 -5.709 9.853 6.625 1.00 22.43 H new ATOM 0 HG1 THR A 54 -5.371 10.211 4.333 1.00 4.31 H new ATOM 0 HG21 THR A 54 -3.595 9.174 5.551 1.00 72.43 H new ATOM 0 HG22 THR A 54 -4.057 8.058 6.858 1.00 72.43 H new ATOM 0 HG23 THR A 54 -4.308 7.591 5.160 1.00 72.43 H new ATOM 768 N VAL A 55 -6.358 6.064 7.746 1.00 33.44 N ATOM 769 CA VAL A 55 -5.966 5.357 8.960 1.00 64.12 C ATOM 770 C VAL A 55 -4.494 4.967 8.918 1.00 1.14 C ATOM 771 O VAL A 55 -3.978 4.552 7.879 1.00 40.35 O ATOM 772 CB VAL A 55 -6.816 4.090 9.170 1.00 22.41 C ATOM 773 CG1 VAL A 55 -6.564 3.500 10.549 1.00 64.12 C ATOM 774 CG2 VAL A 55 -8.293 4.401 8.976 1.00 13.03 C ATOM 0 H VAL A 55 -6.652 5.457 6.981 1.00 33.44 H new ATOM 0 HA VAL A 55 -6.134 6.040 9.792 1.00 64.12 H new ATOM 0 HB VAL A 55 -6.523 3.350 8.425 1.00 22.41 H new ATOM 0 HG11 VAL A 55 -7.173 2.606 10.679 1.00 64.12 H new ATOM 0 HG12 VAL A 55 -5.510 3.238 10.646 1.00 64.12 H new ATOM 0 HG13 VAL A 55 -6.828 4.233 11.312 1.00 64.12 H new ATOM 0 HG21 VAL A 55 -8.879 3.494 9.128 1.00 13.03 H new ATOM 0 HG22 VAL A 55 -8.603 5.158 9.696 1.00 13.03 H new ATOM 0 HG23 VAL A 55 -8.457 4.773 7.965 1.00 13.03 H new ATOM 784 N THR A 56 -3.819 5.101 10.056 1.00 11.54 N ATOM 785 CA THR A 56 -2.404 4.763 10.150 1.00 51.11 C ATOM 786 C THR A 56 -2.128 3.888 11.367 1.00 53.04 C ATOM 787 O THR A 56 -2.712 4.087 12.431 1.00 21.42 O ATOM 788 CB THR A 56 -1.529 6.028 10.231 1.00 63.21 C ATOM 789 OG1 THR A 56 -1.563 6.728 8.982 1.00 55.54 O ATOM 790 CG2 THR A 56 -0.092 5.670 10.579 1.00 34.41 C ATOM 0 H THR A 56 -4.230 5.441 10.925 1.00 11.54 H new ATOM 0 HA THR A 56 -2.149 4.212 9.245 1.00 51.11 H new ATOM 0 HB THR A 56 -1.927 6.669 11.017 1.00 63.21 H new ATOM 0 HG1 THR A 56 -1.006 7.532 9.042 1.00 55.54 H new ATOM 0 HG21 THR A 56 0.507 6.579 10.631 1.00 34.41 H new ATOM 0 HG22 THR A 56 -0.067 5.163 11.544 1.00 34.41 H new ATOM 0 HG23 THR A 56 0.315 5.011 9.812 1.00 34.41 H new ATOM 798 N ASN A 57 -1.232 2.920 11.203 1.00 24.23 N ATOM 799 CA ASN A 57 -0.878 2.014 12.290 1.00 21.11 C ATOM 800 C ASN A 57 0.536 2.291 12.789 1.00 53.03 C ATOM 801 O ASN A 57 1.370 2.827 12.059 1.00 32.03 O ATOM 802 CB ASN A 57 -0.992 0.561 11.828 1.00 22.24 C ATOM 803 CG ASN A 57 0.271 0.068 11.149 1.00 41.33 C ATOM 804 OD1 ASN A 57 0.545 0.411 9.999 1.00 4.51 O ATOM 805 ND2 ASN A 57 1.049 -0.740 11.859 1.00 20.10 N ATOM 0 H ASN A 57 -0.738 2.743 10.328 1.00 24.23 H new ATOM 0 HA ASN A 57 -1.574 2.182 13.112 1.00 21.11 H new ATOM 0 HB2 ASN A 57 -1.211 -0.074 12.686 1.00 22.24 H new ATOM 0 HB3 ASN A 57 -1.832 0.467 11.139 1.00 22.24 H new ATOM 0 HD21 ASN A 57 1.912 -1.102 11.454 1.00 20.10 H new ATOM 0 HD22 ASN A 57 0.783 -0.999 12.809 1.00 20.10 H new ATOM 812 N SER A 58 0.800 1.923 14.039 1.00 22.13 N ATOM 813 CA SER A 58 2.113 2.134 14.638 1.00 62.41 C ATOM 814 C SER A 58 2.324 1.200 15.826 1.00 15.35 C ATOM 815 O SER A 58 2.076 1.569 16.972 1.00 73.30 O ATOM 816 CB SER A 58 2.264 3.588 15.086 1.00 63.34 C ATOM 817 OG SER A 58 1.612 4.470 14.187 1.00 35.44 O ATOM 0 H SER A 58 0.122 1.477 14.657 1.00 22.13 H new ATOM 0 HA SER A 58 2.869 1.913 13.885 1.00 62.41 H new ATOM 0 HB2 SER A 58 1.847 3.709 16.086 1.00 63.34 H new ATOM 0 HB3 SER A 58 3.322 3.844 15.149 1.00 63.34 H new ATOM 0 HG SER A 58 1.722 5.393 14.497 1.00 35.44 H new ATOM 823 N GLY A 59 2.787 -0.014 15.540 1.00 32.33 N ATOM 824 CA GLY A 59 3.026 -0.984 16.593 1.00 64.31 C ATOM 825 C GLY A 59 1.743 -1.609 17.107 1.00 53.21 C ATOM 826 O GLY A 59 1.266 -2.602 16.557 1.00 72.31 O ATOM 0 H GLY A 59 3.001 -0.342 14.598 1.00 32.33 H new ATOM 0 HA2 GLY A 59 3.684 -1.768 16.218 1.00 64.31 H new ATOM 0 HA3 GLY A 59 3.547 -0.499 17.419 1.00 64.31 H new ATOM 830 N ASP A 60 1.185 -1.028 18.163 1.00 34.32 N ATOM 831 CA ASP A 60 -0.049 -1.535 18.751 1.00 31.41 C ATOM 832 C ASP A 60 -1.095 -0.430 18.855 1.00 64.13 C ATOM 833 O ASP A 60 -2.155 -0.617 19.454 1.00 61.21 O ATOM 834 CB ASP A 60 0.225 -2.126 20.134 1.00 72.24 C ATOM 835 CG ASP A 60 0.462 -3.622 20.088 1.00 33.14 C ATOM 836 OD1 ASP A 60 1.480 -4.045 19.499 1.00 24.02 O ATOM 837 OD2 ASP A 60 -0.369 -4.373 20.642 1.00 42.31 O ATOM 0 H ASP A 60 1.568 -0.206 18.629 1.00 34.32 H new ATOM 0 HA ASP A 60 -0.437 -2.318 18.100 1.00 31.41 H new ATOM 0 HB2 ASP A 60 1.096 -1.636 20.569 1.00 72.24 H new ATOM 0 HB3 ASP A 60 -0.620 -1.915 20.790 1.00 72.24 H new ATOM 842 N HIS A 61 -0.791 0.724 18.268 1.00 2.11 N ATOM 843 CA HIS A 61 -1.705 1.860 18.295 1.00 22.52 C ATOM 844 C HIS A 61 -2.072 2.295 16.880 1.00 24.33 C ATOM 845 O HIS A 61 -1.254 2.219 15.964 1.00 54.05 O ATOM 846 CB HIS A 61 -1.076 3.030 19.053 1.00 23.43 C ATOM 847 CG HIS A 61 -1.936 4.255 19.083 1.00 61.41 C ATOM 848 ND1 HIS A 61 -2.652 4.644 20.196 1.00 44.52 N ATOM 849 CD2 HIS A 61 -2.192 5.181 18.130 1.00 10.43 C ATOM 850 CE1 HIS A 61 -3.312 5.756 19.924 1.00 44.33 C ATOM 851 NE2 HIS A 61 -3.049 6.104 18.677 1.00 33.23 N ATOM 0 H HIS A 61 0.081 0.896 17.768 1.00 2.11 H new ATOM 0 HA HIS A 61 -2.615 1.551 18.809 1.00 22.52 H new ATOM 0 HB2 HIS A 61 -0.866 2.718 20.076 1.00 23.43 H new ATOM 0 HB3 HIS A 61 -0.120 3.279 18.593 1.00 23.43 H new ATOM 0 HD1 HIS A 61 -2.669 4.151 21.089 1.00 44.52 H new ATOM 0 HD2 HIS A 61 -1.796 5.192 17.125 1.00 10.43 H new ATOM 0 HE1 HIS A 61 -3.957 6.290 20.606 1.00 44.33 H new ATOM 859 N TRP A 62 -3.309 2.749 16.709 1.00 10.32 N ATOM 860 CA TRP A 62 -3.785 3.194 15.404 1.00 42.14 C ATOM 861 C TRP A 62 -4.356 4.606 15.486 1.00 3.23 C ATOM 862 O TRP A 62 -4.734 5.073 16.561 1.00 21.23 O ATOM 863 CB TRP A 62 -4.847 2.232 14.869 1.00 45.25 C ATOM 864 CG TRP A 62 -4.293 0.897 14.472 1.00 1.30 C ATOM 865 CD1 TRP A 62 -3.768 -0.052 15.300 1.00 73.22 C ATOM 866 CD2 TRP A 62 -4.208 0.366 13.145 1.00 62.23 C ATOM 867 NE1 TRP A 62 -3.362 -1.142 14.569 1.00 71.23 N ATOM 868 CE2 TRP A 62 -3.622 -0.911 13.245 1.00 42.41 C ATOM 869 CE3 TRP A 62 -4.573 0.843 11.882 1.00 72.35 C ATOM 870 CZ2 TRP A 62 -3.391 -1.713 12.129 1.00 62.44 C ATOM 871 CZ3 TRP A 62 -4.343 0.046 10.778 1.00 44.23 C ATOM 872 CH2 TRP A 62 -3.757 -1.221 10.907 1.00 45.40 C ATOM 0 H TRP A 62 -3.999 2.819 17.457 1.00 10.32 H new ATOM 0 HA TRP A 62 -2.937 3.203 14.720 1.00 42.14 H new ATOM 0 HB2 TRP A 62 -5.613 2.088 15.631 1.00 45.25 H new ATOM 0 HB3 TRP A 62 -5.336 2.685 14.007 1.00 45.25 H new ATOM 0 HD1 TRP A 62 -3.684 0.040 16.373 1.00 73.22 H new ATOM 0 HE1 TRP A 62 -2.936 -1.986 14.951 1.00 71.23 H new ATOM 0 HE3 TRP A 62 -5.027 1.817 11.772 1.00 72.35 H new ATOM 0 HZ2 TRP A 62 -2.939 -2.689 12.226 1.00 62.44 H new ATOM 0 HZ3 TRP A 62 -4.619 0.405 9.798 1.00 44.23 H new ATOM 0 HH2 TRP A 62 -3.591 -1.820 10.024 1.00 45.40 H new ATOM 883 N THR A 63 -4.415 5.284 14.344 1.00 31.35 N ATOM 884 CA THR A 63 -4.939 6.643 14.287 1.00 13.21 C ATOM 885 C THR A 63 -5.703 6.884 12.991 1.00 32.04 C ATOM 886 O THR A 63 -5.398 6.286 11.959 1.00 4.12 O ATOM 887 CB THR A 63 -3.810 7.684 14.406 1.00 64.12 C ATOM 888 OG1 THR A 63 -4.368 8.993 14.574 1.00 73.51 O ATOM 889 CG2 THR A 63 -2.920 7.661 13.173 1.00 4.42 C ATOM 0 H THR A 63 -4.106 4.914 13.445 1.00 31.35 H new ATOM 0 HA THR A 63 -5.619 6.756 15.132 1.00 13.21 H new ATOM 0 HB THR A 63 -3.204 7.433 15.276 1.00 64.12 H new ATOM 0 HG1 THR A 63 -3.659 9.664 14.491 1.00 73.51 H new ATOM 0 HG21 THR A 63 -2.130 8.405 13.280 1.00 4.42 H new ATOM 0 HG22 THR A 63 -2.475 6.672 13.064 1.00 4.42 H new ATOM 0 HG23 THR A 63 -3.516 7.890 12.290 1.00 4.42 H new ATOM 897 N ALA A 64 -6.696 7.764 13.050 1.00 21.21 N ATOM 898 CA ALA A 64 -7.502 8.086 11.879 1.00 42.20 C ATOM 899 C ALA A 64 -7.610 9.595 11.685 1.00 44.33 C ATOM 900 O ALA A 64 -8.077 10.314 12.569 1.00 52.44 O ATOM 901 CB ALA A 64 -8.887 7.468 12.006 1.00 45.53 C ATOM 0 H ALA A 64 -6.962 8.267 13.896 1.00 21.21 H new ATOM 0 HA ALA A 64 -7.008 7.668 11.002 1.00 42.20 H new ATOM 0 HB1 ALA A 64 -9.478 7.716 11.125 1.00 45.53 H new ATOM 0 HB2 ALA A 64 -8.796 6.385 12.089 1.00 45.53 H new ATOM 0 HB3 ALA A 64 -9.380 7.860 12.896 1.00 45.53 H new ATOM 907 N LYS A 65 -7.175 10.070 10.523 1.00 11.34 N ATOM 908 CA LYS A 65 -7.222 11.494 10.211 1.00 0.14 C ATOM 909 C LYS A 65 -7.728 11.723 8.791 1.00 1.15 C ATOM 910 O LYS A 65 -7.581 10.864 7.923 1.00 21.53 O ATOM 911 CB LYS A 65 -5.835 12.119 10.376 1.00 60.02 C ATOM 912 CG LYS A 65 -4.799 11.566 9.411 1.00 62.25 C ATOM 913 CD LYS A 65 -3.942 10.497 10.067 1.00 11.52 C ATOM 914 CE LYS A 65 -2.617 11.064 10.552 1.00 53.21 C ATOM 915 NZ LYS A 65 -1.481 10.635 9.691 1.00 13.13 N ATOM 0 H LYS A 65 -6.785 9.489 9.781 1.00 11.34 H new ATOM 0 HA LYS A 65 -7.914 11.970 10.906 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -5.912 13.197 10.234 1.00 60.02 H new ATOM 0 HB3 LYS A 65 -5.491 11.956 11.397 1.00 60.02 H new ATOM 0 HG2 LYS A 65 -5.300 11.147 8.538 1.00 62.25 H new ATOM 0 HG3 LYS A 65 -4.163 12.376 9.055 1.00 62.25 H new ATOM 0 HD2 LYS A 65 -4.482 10.062 10.908 1.00 11.52 H new ATOM 0 HD3 LYS A 65 -3.756 9.692 9.356 1.00 11.52 H new ATOM 0 HE2 LYS A 65 -2.671 12.153 10.566 1.00 53.21 H new ATOM 0 HE3 LYS A 65 -2.437 10.741 11.577 1.00 53.21 H new ATOM 0 HZ1 LYS A 65 -0.596 11.043 10.055 1.00 13.13 H new ATOM 0 HZ2 LYS A 65 -1.413 9.597 9.698 1.00 13.13 H new ATOM 0 HZ3 LYS A 65 -1.639 10.965 8.718 1.00 13.13 H new ATOM 929 N ASN A 66 -8.325 12.889 8.561 1.00 73.32 N ATOM 930 CA ASN A 66 -8.852 13.231 7.246 1.00 44.41 C ATOM 931 C ASN A 66 -8.390 14.622 6.819 1.00 23.25 C ATOM 932 O ASN A 66 -7.860 14.802 5.723 1.00 20.43 O ATOM 933 CB ASN A 66 -10.381 13.170 7.255 1.00 3.24 C ATOM 934 CG ASN A 66 -10.975 13.343 5.869 1.00 74.25 C ATOM 935 OD1 ASN A 66 -11.849 14.184 5.658 1.00 2.12 O ATOM 936 ND2 ASN A 66 -10.501 12.546 4.919 1.00 51.34 N ATOM 0 H ASN A 66 -8.455 13.612 9.269 1.00 73.32 H new ATOM 0 HA ASN A 66 -8.470 12.505 6.529 1.00 44.41 H new ATOM 0 HB2 ASN A 66 -10.701 12.213 7.668 1.00 3.24 H new ATOM 0 HB3 ASN A 66 -10.769 13.947 7.913 1.00 3.24 H new ATOM 0 HD21 ASN A 66 -10.862 12.616 3.967 1.00 51.34 H new ATOM 0 HD22 ASN A 66 -9.776 11.863 5.141 1.00 51.34 H new ATOM 943 N VAL A 67 -8.596 15.601 7.694 1.00 51.32 N ATOM 944 CA VAL A 67 -8.200 16.975 7.409 1.00 13.12 C ATOM 945 C VAL A 67 -6.873 17.314 8.080 1.00 1.34 C ATOM 946 O VAL A 67 -6.689 18.416 8.593 1.00 71.14 O ATOM 947 CB VAL A 67 -9.271 17.977 7.880 1.00 52.31 C ATOM 948 CG1 VAL A 67 -9.371 19.146 6.911 1.00 15.22 C ATOM 949 CG2 VAL A 67 -10.616 17.285 8.034 1.00 20.30 C ATOM 0 H VAL A 67 -9.034 15.468 8.605 1.00 51.32 H new ATOM 0 HA VAL A 67 -8.089 17.055 6.328 1.00 13.12 H new ATOM 0 HB VAL A 67 -8.976 18.368 8.854 1.00 52.31 H new ATOM 0 HG11 VAL A 67 -10.132 19.844 7.260 1.00 15.22 H new ATOM 0 HG12 VAL A 67 -8.409 19.656 6.856 1.00 15.22 H new ATOM 0 HG13 VAL A 67 -9.643 18.777 5.922 1.00 15.22 H new ATOM 0 HG21 VAL A 67 -11.361 18.008 8.367 1.00 20.30 H new ATOM 0 HG22 VAL A 67 -10.921 16.865 7.075 1.00 20.30 H new ATOM 0 HG23 VAL A 67 -10.532 16.485 8.770 1.00 20.30 H new ATOM 959 N GLY A 68 -5.950 16.357 8.070 1.00 41.54 N ATOM 960 CA GLY A 68 -4.650 16.574 8.680 1.00 62.22 C ATOM 961 C GLY A 68 -3.732 17.407 7.808 1.00 50.11 C ATOM 962 O GLY A 68 -2.595 17.689 8.184 1.00 73.44 O ATOM 0 H GLY A 68 -6.079 15.436 7.651 1.00 41.54 H new ATOM 0 HA2 GLY A 68 -4.782 17.070 9.642 1.00 62.22 H new ATOM 0 HA3 GLY A 68 -4.181 15.611 8.880 1.00 62.22 H new ATOM 966 N TRP A 69 -4.225 17.800 6.639 1.00 42.31 N ATOM 967 CA TRP A 69 -3.440 18.604 5.710 1.00 43.11 C ATOM 968 C TRP A 69 -4.060 19.986 5.528 1.00 35.04 C ATOM 969 O TRP A 69 -3.380 20.934 5.136 1.00 35.14 O ATOM 970 CB TRP A 69 -3.332 17.898 4.358 1.00 12.14 C ATOM 971 CG TRP A 69 -4.528 17.058 4.028 1.00 34.23 C ATOM 972 CD1 TRP A 69 -4.702 15.733 4.312 1.00 65.41 C ATOM 973 CD2 TRP A 69 -5.716 17.485 3.352 1.00 33.10 C ATOM 974 NE1 TRP A 69 -5.926 15.311 3.853 1.00 2.34 N ATOM 975 CE2 TRP A 69 -6.567 16.366 3.261 1.00 44.10 C ATOM 976 CE3 TRP A 69 -6.142 18.703 2.816 1.00 31.41 C ATOM 977 CZ2 TRP A 69 -7.819 16.433 2.655 1.00 10.45 C ATOM 978 CZ3 TRP A 69 -7.384 18.766 2.214 1.00 63.30 C ATOM 979 CH2 TRP A 69 -8.212 17.637 2.138 1.00 43.34 C ATOM 0 H TRP A 69 -5.165 17.575 6.312 1.00 42.31 H new ATOM 0 HA TRP A 69 -2.441 18.727 6.129 1.00 43.11 H new ATOM 0 HB2 TRP A 69 -3.195 18.645 3.576 1.00 12.14 H new ATOM 0 HB3 TRP A 69 -2.443 17.268 4.356 1.00 12.14 H new ATOM 0 HD1 TRP A 69 -3.983 15.109 4.822 1.00 65.41 H new ATOM 0 HE1 TRP A 69 -6.297 14.365 3.939 1.00 2.34 H new ATOM 0 HE3 TRP A 69 -5.512 19.579 2.871 1.00 31.41 H new ATOM 0 HZ2 TRP A 69 -8.458 15.564 2.595 1.00 10.45 H new ATOM 0 HZ3 TRP A 69 -7.723 19.702 1.794 1.00 63.30 H new ATOM 0 HH2 TRP A 69 -9.178 17.719 1.662 1.00 43.34 H new ATOM 990 N ASN A 70 -5.353 20.092 5.814 1.00 3.03 N ATOM 991 CA ASN A 70 -6.063 21.358 5.681 1.00 44.21 C ATOM 992 C ASN A 70 -6.446 21.914 7.050 1.00 10.43 C ATOM 993 O ASN A 70 -6.234 23.092 7.334 1.00 53.51 O ATOM 994 CB ASN A 70 -7.318 21.176 4.824 1.00 4.13 C ATOM 995 CG ASN A 70 -7.284 22.018 3.563 1.00 2.00 C ATOM 996 OD1 ASN A 70 -8.272 22.660 3.206 1.00 45.11 O ATOM 997 ND2 ASN A 70 -6.144 22.018 2.882 1.00 62.34 N ATOM 0 H ASN A 70 -5.930 19.317 6.139 1.00 3.03 H new ATOM 0 HA ASN A 70 -5.397 22.069 5.192 1.00 44.21 H new ATOM 0 HB2 ASN A 70 -7.421 20.125 4.553 1.00 4.13 H new ATOM 0 HB3 ASN A 70 -8.197 21.441 5.411 1.00 4.13 H new ATOM 0 HD21 ASN A 70 -6.062 22.565 2.025 1.00 62.34 H new ATOM 0 HD22 ASN A 70 -5.351 21.471 3.216 1.00 62.34 H new ATOM 1004 N GLY A 71 -7.009 21.057 7.895 1.00 2.25 N ATOM 1005 CA GLY A 71 -7.412 21.479 9.223 1.00 71.15 C ATOM 1006 C GLY A 71 -8.245 22.745 9.201 1.00 23.30 C ATOM 1007 O GLY A 71 -7.897 23.740 9.838 1.00 32.31 O ATOM 0 H GLY A 71 -7.193 20.076 7.683 1.00 2.25 H new ATOM 0 HA2 GLY A 71 -7.983 20.680 9.697 1.00 71.15 H new ATOM 0 HA3 GLY A 71 -6.524 21.642 9.834 1.00 71.15 H new ATOM 1011 N THR A 72 -9.352 22.711 8.464 1.00 14.33 N ATOM 1012 CA THR A 72 -10.236 23.864 8.358 1.00 52.12 C ATOM 1013 C THR A 72 -11.698 23.434 8.325 1.00 42.33 C ATOM 1014 O THR A 72 -12.230 23.090 7.268 1.00 21.52 O ATOM 1015 CB THR A 72 -9.928 24.695 7.097 1.00 72.35 C ATOM 1016 OG1 THR A 72 -8.930 24.037 6.309 1.00 41.22 O ATOM 1017 CG2 THR A 72 -9.448 26.089 7.473 1.00 53.04 C ATOM 0 H THR A 72 -9.657 21.896 7.932 1.00 14.33 H new ATOM 0 HA THR A 72 -10.061 24.479 9.241 1.00 52.12 H new ATOM 0 HB THR A 72 -10.845 24.788 6.516 1.00 72.35 H new ATOM 0 HG1 THR A 72 -8.741 24.570 5.509 1.00 41.22 H new ATOM 0 HG21 THR A 72 -9.237 26.658 6.567 1.00 53.04 H new ATOM 0 HG22 THR A 72 -10.222 26.597 8.048 1.00 53.04 H new ATOM 0 HG23 THR A 72 -8.541 26.012 8.073 1.00 53.04 H new ATOM 1025 N LEU A 73 -12.343 23.458 9.485 1.00 40.44 N ATOM 1026 CA LEU A 73 -13.746 23.072 9.589 1.00 64.03 C ATOM 1027 C LEU A 73 -14.507 24.025 10.504 1.00 63.12 C ATOM 1028 O LEU A 73 -13.910 24.735 11.312 1.00 54.44 O ATOM 1029 CB LEU A 73 -13.863 21.640 10.114 1.00 24.04 C ATOM 1030 CG LEU A 73 -15.216 20.957 9.907 1.00 63.04 C ATOM 1031 CD1 LEU A 73 -15.025 19.525 9.435 1.00 51.12 C ATOM 1032 CD2 LEU A 73 -16.034 20.994 11.190 1.00 53.21 C ATOM 0 H LEU A 73 -11.917 23.741 10.368 1.00 40.44 H new ATOM 0 HA LEU A 73 -14.187 23.125 8.594 1.00 64.03 H new ATOM 0 HB2 LEU A 73 -13.095 21.034 9.633 1.00 24.04 H new ATOM 0 HB3 LEU A 73 -13.641 21.646 11.181 1.00 24.04 H new ATOM 0 HG LEU A 73 -15.762 21.501 9.136 1.00 63.04 H new ATOM 0 HD11 LEU A 73 -15.999 19.056 9.293 1.00 51.12 H new ATOM 0 HD12 LEU A 73 -14.480 19.523 8.491 1.00 51.12 H new ATOM 0 HD13 LEU A 73 -14.459 18.968 10.182 1.00 51.12 H new ATOM 0 HD21 LEU A 73 -16.993 20.504 11.024 1.00 53.21 H new ATOM 0 HD22 LEU A 73 -15.493 20.475 11.981 1.00 53.21 H new ATOM 0 HD23 LEU A 73 -16.202 22.030 11.485 1.00 53.21 H new ATOM 1044 N ALA A 74 -15.830 24.033 10.373 1.00 61.25 N ATOM 1045 CA ALA A 74 -16.674 24.896 11.192 1.00 12.02 C ATOM 1046 C ALA A 74 -16.708 24.416 12.639 1.00 22.12 C ATOM 1047 O ALA A 74 -16.369 23.274 12.948 1.00 75.34 O ATOM 1048 CB ALA A 74 -18.082 24.953 10.619 1.00 40.23 C ATOM 0 H ALA A 74 -16.340 23.452 9.708 1.00 61.25 H new ATOM 0 HA ALA A 74 -16.248 25.899 11.180 1.00 12.02 H new ATOM 0 HB1 ALA A 74 -18.701 25.600 11.240 1.00 40.23 H new ATOM 0 HB2 ALA A 74 -18.046 25.349 9.604 1.00 40.23 H new ATOM 0 HB3 ALA A 74 -18.509 23.950 10.602 1.00 40.23 H new ATOM 1054 N PRO A 75 -17.127 25.308 13.549 1.00 72.12 N ATOM 1055 CA PRO A 75 -17.215 24.998 14.978 1.00 62.45 C ATOM 1056 C PRO A 75 -18.335 24.009 15.290 1.00 14.43 C ATOM 1057 O PRO A 75 -18.351 23.390 16.353 1.00 64.12 O ATOM 1058 CB PRO A 75 -17.511 26.358 15.619 1.00 31.34 C ATOM 1059 CG PRO A 75 -18.169 27.148 14.541 1.00 53.21 C ATOM 1060 CD PRO A 75 -17.547 26.687 13.252 1.00 42.44 C ATOM 0 HA PRO A 75 -16.306 24.525 15.348 1.00 62.45 H new ATOM 0 HB2 PRO A 75 -18.162 26.254 16.487 1.00 31.34 H new ATOM 0 HB3 PRO A 75 -16.596 26.841 15.963 1.00 31.34 H new ATOM 0 HG2 PRO A 75 -19.246 26.981 14.536 1.00 53.21 H new ATOM 0 HG3 PRO A 75 -18.013 28.217 14.689 1.00 53.21 H new ATOM 0 HD2 PRO A 75 -18.259 26.721 12.428 1.00 42.44 H new ATOM 0 HD3 PRO A 75 -16.701 27.312 12.968 1.00 42.44 H new ATOM 1068 N GLY A 76 -19.267 23.864 14.354 1.00 3.44 N ATOM 1069 CA GLY A 76 -20.376 22.948 14.546 1.00 63.24 C ATOM 1070 C GLY A 76 -20.660 22.114 13.314 1.00 10.14 C ATOM 1071 O GLY A 76 -21.033 22.645 12.269 1.00 22.23 O ATOM 0 H GLY A 76 -19.274 24.365 13.465 1.00 3.44 H new ATOM 0 HA2 GLY A 76 -20.156 22.288 15.385 1.00 63.24 H new ATOM 0 HA3 GLY A 76 -21.269 23.514 14.811 1.00 63.24 H new ATOM 1075 N ALA A 77 -20.481 20.802 13.436 1.00 4.44 N ATOM 1076 CA ALA A 77 -20.722 19.892 12.322 1.00 53.30 C ATOM 1077 C ALA A 77 -20.475 18.444 12.734 1.00 44.33 C ATOM 1078 O ALA A 77 -19.984 18.176 13.830 1.00 41.41 O ATOM 1079 CB ALA A 77 -19.842 20.264 11.138 1.00 54.32 C ATOM 0 H ALA A 77 -20.170 20.346 14.294 1.00 4.44 H new ATOM 0 HA ALA A 77 -21.767 19.985 12.027 1.00 53.30 H new ATOM 0 HB1 ALA A 77 -20.032 19.577 10.313 1.00 54.32 H new ATOM 0 HB2 ALA A 77 -20.069 21.282 10.822 1.00 54.32 H new ATOM 0 HB3 ALA A 77 -18.794 20.200 11.430 1.00 54.32 H new ATOM 1085 N SER A 78 -20.821 17.515 11.848 1.00 44.25 N ATOM 1086 CA SER A 78 -20.642 16.095 12.121 1.00 53.23 C ATOM 1087 C SER A 78 -19.993 15.391 10.933 1.00 42.33 C ATOM 1088 O SER A 78 -20.416 15.560 9.790 1.00 11.15 O ATOM 1089 CB SER A 78 -21.987 15.441 12.443 1.00 72.03 C ATOM 1090 OG SER A 78 -22.548 14.834 11.292 1.00 55.41 O ATOM 0 H SER A 78 -21.227 17.721 10.935 1.00 44.25 H new ATOM 0 HA SER A 78 -19.983 15.997 12.984 1.00 53.23 H new ATOM 0 HB2 SER A 78 -21.853 14.692 13.224 1.00 72.03 H new ATOM 0 HB3 SER A 78 -22.675 16.191 12.834 1.00 72.03 H new ATOM 0 HG SER A 78 -23.406 14.422 11.525 1.00 55.41 H new ATOM 1096 N VAL A 79 -18.961 14.600 11.213 1.00 64.11 N ATOM 1097 CA VAL A 79 -18.254 13.869 10.169 1.00 53.35 C ATOM 1098 C VAL A 79 -18.031 12.415 10.571 1.00 4.32 C ATOM 1099 O VAL A 79 -17.355 12.130 11.558 1.00 14.24 O ATOM 1100 CB VAL A 79 -16.892 14.517 9.854 1.00 53.14 C ATOM 1101 CG1 VAL A 79 -17.081 15.800 9.060 1.00 5.21 C ATOM 1102 CG2 VAL A 79 -16.120 14.785 11.137 1.00 74.31 C ATOM 0 H VAL A 79 -18.597 14.450 12.154 1.00 64.11 H new ATOM 0 HA VAL A 79 -18.880 13.905 9.278 1.00 53.35 H new ATOM 0 HB VAL A 79 -16.312 13.823 9.245 1.00 53.14 H new ATOM 0 HG11 VAL A 79 -16.108 16.243 8.847 1.00 5.21 H new ATOM 0 HG12 VAL A 79 -17.591 15.576 8.123 1.00 5.21 H new ATOM 0 HG13 VAL A 79 -17.680 16.502 9.640 1.00 5.21 H new ATOM 0 HG21 VAL A 79 -15.161 15.243 10.896 1.00 74.31 H new ATOM 0 HG22 VAL A 79 -16.694 15.459 11.773 1.00 74.31 H new ATOM 0 HG23 VAL A 79 -15.951 13.845 11.663 1.00 74.31 H new ATOM 1112 N SER A 80 -18.606 11.499 9.797 1.00 72.25 N ATOM 1113 CA SER A 80 -18.473 10.074 10.074 1.00 42.20 C ATOM 1114 C SER A 80 -17.632 9.388 9.002 1.00 54.12 C ATOM 1115 O SER A 80 -17.763 9.679 7.812 1.00 75.03 O ATOM 1116 CB SER A 80 -19.853 9.418 10.151 1.00 72.42 C ATOM 1117 OG SER A 80 -20.860 10.287 9.663 1.00 1.44 O ATOM 0 H SER A 80 -19.168 11.719 8.974 1.00 72.25 H new ATOM 0 HA SER A 80 -17.969 9.961 11.034 1.00 42.20 H new ATOM 0 HB2 SER A 80 -19.853 8.495 9.571 1.00 72.42 H new ATOM 0 HB3 SER A 80 -20.072 9.146 11.183 1.00 72.42 H new ATOM 0 HG SER A 80 -21.732 9.843 9.722 1.00 1.44 H new ATOM 1123 N PHE A 81 -16.766 8.476 9.431 1.00 74.42 N ATOM 1124 CA PHE A 81 -15.900 7.749 8.511 1.00 22.12 C ATOM 1125 C PHE A 81 -15.933 6.252 8.801 1.00 23.33 C ATOM 1126 O PHE A 81 -15.952 5.832 9.958 1.00 22.05 O ATOM 1127 CB PHE A 81 -14.464 8.267 8.609 1.00 63.04 C ATOM 1128 CG PHE A 81 -13.756 7.837 9.863 1.00 24.24 C ATOM 1129 CD1 PHE A 81 -13.074 6.632 9.910 1.00 3.00 C ATOM 1130 CD2 PHE A 81 -13.773 8.638 10.993 1.00 60.25 C ATOM 1131 CE1 PHE A 81 -12.423 6.233 11.062 1.00 42.34 C ATOM 1132 CE2 PHE A 81 -13.124 8.245 12.148 1.00 15.44 C ATOM 1133 CZ PHE A 81 -12.447 7.041 12.181 1.00 74.51 C ATOM 0 H PHE A 81 -16.645 8.223 10.412 1.00 74.42 H new ATOM 0 HA PHE A 81 -16.269 7.914 7.499 1.00 22.12 H new ATOM 0 HB2 PHE A 81 -13.900 7.917 7.744 1.00 63.04 H new ATOM 0 HB3 PHE A 81 -14.475 9.356 8.563 1.00 63.04 H new ATOM 0 HD1 PHE A 81 -13.051 5.997 9.037 1.00 3.00 H new ATOM 0 HD2 PHE A 81 -14.300 9.581 10.971 1.00 60.25 H new ATOM 0 HE1 PHE A 81 -11.896 5.290 11.087 1.00 42.34 H new ATOM 0 HE2 PHE A 81 -13.146 8.878 13.023 1.00 15.44 H new ATOM 0 HZ PHE A 81 -11.937 6.732 13.082 1.00 74.51 H new ATOM 1143 N GLY A 82 -15.941 5.449 7.740 1.00 72.14 N ATOM 1144 CA GLY A 82 -15.973 4.007 7.902 1.00 32.12 C ATOM 1145 C GLY A 82 -14.709 3.339 7.395 1.00 63.13 C ATOM 1146 O GLY A 82 -13.937 3.941 6.650 1.00 54.54 O ATOM 0 H GLY A 82 -15.926 5.772 6.772 1.00 72.14 H new ATOM 0 HA2 GLY A 82 -16.110 3.766 8.956 1.00 32.12 H new ATOM 0 HA3 GLY A 82 -16.833 3.603 7.368 1.00 32.12 H new ATOM 1150 N PHE A 83 -14.498 2.092 7.802 1.00 33.04 N ATOM 1151 CA PHE A 83 -13.317 1.343 7.387 1.00 10.13 C ATOM 1152 C PHE A 83 -13.557 -0.159 7.508 1.00 14.23 C ATOM 1153 O PHE A 83 -14.617 -0.596 7.956 1.00 53.41 O ATOM 1154 CB PHE A 83 -12.107 1.747 8.232 1.00 33.12 C ATOM 1155 CG PHE A 83 -12.112 1.150 9.610 1.00 52.13 C ATOM 1156 CD1 PHE A 83 -11.531 -0.085 9.847 1.00 31.21 C ATOM 1157 CD2 PHE A 83 -12.697 1.825 10.669 1.00 63.24 C ATOM 1158 CE1 PHE A 83 -11.535 -0.637 11.114 1.00 22.20 C ATOM 1159 CE2 PHE A 83 -12.703 1.279 11.939 1.00 63.34 C ATOM 1160 CZ PHE A 83 -12.122 0.046 12.162 1.00 53.52 C ATOM 0 H PHE A 83 -15.128 1.579 8.418 1.00 33.04 H new ATOM 0 HA PHE A 83 -13.116 1.579 6.342 1.00 10.13 H new ATOM 0 HB2 PHE A 83 -11.196 1.443 7.716 1.00 33.12 H new ATOM 0 HB3 PHE A 83 -12.079 2.833 8.315 1.00 33.12 H new ATOM 0 HD1 PHE A 83 -11.069 -0.623 9.032 1.00 31.21 H new ATOM 0 HD2 PHE A 83 -13.154 2.789 10.500 1.00 63.24 H new ATOM 0 HE1 PHE A 83 -11.080 -1.601 11.285 1.00 22.20 H new ATOM 0 HE2 PHE A 83 -13.162 1.816 12.756 1.00 63.34 H new ATOM 0 HZ PHE A 83 -12.126 -0.383 13.153 1.00 53.52 H new ATOM 1170 N ASN A 84 -12.564 -0.945 7.103 1.00 72.22 N ATOM 1171 CA ASN A 84 -12.666 -2.399 7.165 1.00 30.00 C ATOM 1172 C ASN A 84 -11.407 -3.007 7.773 1.00 34.31 C ATOM 1173 O ASN A 84 -10.293 -2.727 7.333 1.00 45.33 O ATOM 1174 CB ASN A 84 -12.900 -2.974 5.766 1.00 54.13 C ATOM 1175 CG ASN A 84 -12.514 -4.438 5.671 1.00 2.20 C ATOM 1176 OD1 ASN A 84 -12.686 -5.200 6.622 1.00 65.41 O ATOM 1177 ND2 ASN A 84 -11.987 -4.836 4.519 1.00 35.12 N ATOM 0 H ASN A 84 -11.680 -0.600 6.729 1.00 72.22 H new ATOM 0 HA ASN A 84 -13.514 -2.653 7.802 1.00 30.00 H new ATOM 0 HB2 ASN A 84 -13.951 -2.860 5.500 1.00 54.13 H new ATOM 0 HB3 ASN A 84 -12.324 -2.401 5.040 1.00 54.13 H new ATOM 0 HD21 ASN A 84 -11.706 -5.809 4.396 1.00 35.12 H new ATOM 0 HD22 ASN A 84 -11.863 -4.169 3.757 1.00 35.12 H new ATOM 1184 N GLY A 85 -11.592 -3.845 8.790 1.00 64.03 N ATOM 1185 CA GLY A 85 -10.463 -4.481 9.442 1.00 54.45 C ATOM 1186 C GLY A 85 -10.688 -5.961 9.681 1.00 45.31 C ATOM 1187 O GLY A 85 -11.826 -6.405 9.834 1.00 5.41 O ATOM 0 H GLY A 85 -12.504 -4.094 9.173 1.00 64.03 H new ATOM 0 HA2 GLY A 85 -9.571 -4.347 8.830 1.00 54.45 H new ATOM 0 HA3 GLY A 85 -10.273 -3.987 10.395 1.00 54.45 H new ATOM 1191 N SER A 86 -9.603 -6.726 9.711 1.00 10.54 N ATOM 1192 CA SER A 86 -9.688 -8.166 9.927 1.00 1.41 C ATOM 1193 C SER A 86 -9.543 -8.503 11.407 1.00 65.44 C ATOM 1194 O SER A 86 -8.465 -8.374 11.983 1.00 53.12 O ATOM 1195 CB SER A 86 -8.607 -8.889 9.120 1.00 10.14 C ATOM 1196 OG SER A 86 -9.101 -10.102 8.578 1.00 43.43 O ATOM 0 H SER A 86 -8.654 -6.373 9.588 1.00 10.54 H new ATOM 0 HA SER A 86 -10.669 -8.501 9.590 1.00 1.41 H new ATOM 0 HB2 SER A 86 -8.257 -8.243 8.315 1.00 10.14 H new ATOM 0 HB3 SER A 86 -7.749 -9.096 9.759 1.00 10.14 H new ATOM 0 HG SER A 86 -8.392 -10.544 8.066 1.00 43.43 H new ATOM 1202 N GLY A 87 -10.642 -8.936 12.019 1.00 31.14 N ATOM 1203 CA GLY A 87 -10.618 -9.285 13.427 1.00 61.20 C ATOM 1204 C GLY A 87 -12.009 -9.387 14.023 1.00 41.21 C ATOM 1205 O GLY A 87 -13.007 -9.495 13.310 1.00 14.51 O ATOM 0 H GLY A 87 -11.548 -9.051 11.564 1.00 31.14 H new ATOM 0 HA2 GLY A 87 -10.101 -10.236 13.554 1.00 61.20 H new ATOM 0 HA3 GLY A 87 -10.046 -8.536 13.974 1.00 61.20 H new ATOM 1209 N PRO A 88 -12.087 -9.354 15.362 1.00 23.24 N ATOM 1210 CA PRO A 88 -13.360 -9.443 16.082 1.00 63.54 C ATOM 1211 C PRO A 88 -14.216 -8.194 15.903 1.00 62.31 C ATOM 1212 O PRO A 88 -15.441 -8.276 15.816 1.00 53.11 O ATOM 1213 CB PRO A 88 -12.931 -9.593 17.544 1.00 44.52 C ATOM 1214 CG PRO A 88 -11.582 -8.964 17.609 1.00 52.30 C ATOM 1215 CD PRO A 88 -10.939 -9.226 16.274 1.00 75.55 C ATOM 0 HA PRO A 88 -13.977 -10.264 15.718 1.00 63.54 H new ATOM 0 HB2 PRO A 88 -13.632 -9.097 18.215 1.00 44.52 H new ATOM 0 HB3 PRO A 88 -12.894 -10.641 17.840 1.00 44.52 H new ATOM 0 HG2 PRO A 88 -11.659 -7.894 17.802 1.00 52.30 H new ATOM 0 HG3 PRO A 88 -10.990 -9.392 18.418 1.00 52.30 H new ATOM 0 HD2 PRO A 88 -10.280 -8.410 15.978 1.00 75.55 H new ATOM 0 HD3 PRO A 88 -10.335 -10.133 16.290 1.00 75.55 H new ATOM 1223 N GLY A 89 -13.564 -7.037 15.850 1.00 60.14 N ATOM 1224 CA GLY A 89 -14.282 -5.787 15.682 1.00 11.24 C ATOM 1225 C GLY A 89 -14.678 -5.163 17.005 1.00 32.31 C ATOM 1226 O GLY A 89 -15.657 -4.421 17.081 1.00 23.42 O ATOM 0 H GLY A 89 -12.551 -6.943 15.920 1.00 60.14 H new ATOM 0 HA2 GLY A 89 -13.660 -5.086 15.125 1.00 11.24 H new ATOM 0 HA3 GLY A 89 -15.177 -5.963 15.085 1.00 11.24 H new ATOM 1230 N SER A 90 -13.917 -5.466 18.052 1.00 41.34 N ATOM 1231 CA SER A 90 -14.197 -4.933 19.381 1.00 3.14 C ATOM 1232 C SER A 90 -13.101 -3.969 19.821 1.00 71.32 C ATOM 1233 O SER A 90 -12.247 -4.295 20.647 1.00 43.12 O ATOM 1234 CB SER A 90 -14.327 -6.073 20.392 1.00 25.11 C ATOM 1235 OG SER A 90 -15.181 -5.710 21.462 1.00 63.51 O ATOM 0 H SER A 90 -13.102 -6.078 18.006 1.00 41.34 H new ATOM 0 HA SER A 90 -15.139 -4.387 19.337 1.00 3.14 H new ATOM 0 HB2 SER A 90 -14.718 -6.961 19.895 1.00 25.11 H new ATOM 0 HB3 SER A 90 -13.342 -6.333 20.780 1.00 25.11 H new ATOM 0 HG SER A 90 -15.249 -6.456 22.094 1.00 63.51 H new ATOM 1241 N PRO A 91 -13.124 -2.752 19.259 1.00 51.11 N ATOM 1242 CA PRO A 91 -12.139 -1.713 19.579 1.00 1.42 C ATOM 1243 C PRO A 91 -12.309 -1.170 20.993 1.00 55.14 C ATOM 1244 O PRO A 91 -13.396 -1.234 21.567 1.00 12.41 O ATOM 1245 CB PRO A 91 -12.430 -0.620 18.548 1.00 1.53 C ATOM 1246 CG PRO A 91 -13.861 -0.815 18.181 1.00 50.24 C ATOM 1247 CD PRO A 91 -14.112 -2.295 18.267 1.00 61.51 C ATOM 0 HA PRO A 91 -11.118 -2.093 19.541 1.00 1.42 H new ATOM 0 HB2 PRO A 91 -12.260 0.373 18.965 1.00 1.53 H new ATOM 0 HB3 PRO A 91 -11.782 -0.715 17.677 1.00 1.53 H new ATOM 0 HG2 PRO A 91 -14.516 -0.268 18.859 1.00 50.24 H new ATOM 0 HG3 PRO A 91 -14.060 -0.443 17.176 1.00 50.24 H new ATOM 0 HD2 PRO A 91 -15.131 -2.512 18.586 1.00 61.51 H new ATOM 0 HD3 PRO A 91 -13.969 -2.783 17.303 1.00 61.51 H new ATOM 1255 N SER A 92 -11.226 -0.636 21.550 1.00 63.03 N ATOM 1256 CA SER A 92 -11.255 -0.084 22.900 1.00 0.12 C ATOM 1257 C SER A 92 -10.284 1.087 23.028 1.00 32.54 C ATOM 1258 O SER A 92 -9.475 1.338 22.137 1.00 35.24 O ATOM 1259 CB SER A 92 -10.905 -1.165 23.923 1.00 35.02 C ATOM 1260 OG SER A 92 -12.064 -1.866 24.341 1.00 55.13 O ATOM 0 H SER A 92 -10.319 -0.574 21.088 1.00 63.03 H new ATOM 0 HA SER A 92 -12.264 0.279 23.097 1.00 0.12 H new ATOM 0 HB2 SER A 92 -10.190 -1.864 23.488 1.00 35.02 H new ATOM 0 HB3 SER A 92 -10.420 -0.710 24.787 1.00 35.02 H new ATOM 0 HG SER A 92 -12.728 -1.860 23.620 1.00 55.13 H new ATOM 1266 N ASN A 93 -10.373 1.801 24.146 1.00 23.40 N ATOM 1267 CA ASN A 93 -9.504 2.945 24.393 1.00 41.32 C ATOM 1268 C ASN A 93 -9.620 3.968 23.268 1.00 45.33 C ATOM 1269 O ASN A 93 -8.662 4.211 22.534 1.00 15.33 O ATOM 1270 CB ASN A 93 -8.051 2.488 24.534 1.00 21.15 C ATOM 1271 CG ASN A 93 -7.766 1.875 25.891 1.00 23.10 C ATOM 1272 OD1 ASN A 93 -8.656 1.772 26.737 1.00 12.22 O ATOM 1273 ND2 ASN A 93 -6.522 1.465 26.106 1.00 70.04 N ATOM 0 H ASN A 93 -11.038 1.607 24.895 1.00 23.40 H new ATOM 0 HA ASN A 93 -9.821 3.416 25.323 1.00 41.32 H new ATOM 0 HB2 ASN A 93 -7.825 1.760 23.755 1.00 21.15 H new ATOM 0 HB3 ASN A 93 -7.389 3.339 24.377 1.00 21.15 H new ATOM 0 HD21 ASN A 93 -6.271 1.045 27.001 1.00 70.04 H new ATOM 0 HD22 ASN A 93 -5.817 1.570 25.376 1.00 70.04 H new ATOM 1280 N CYS A 94 -10.800 4.566 23.138 1.00 52.34 N ATOM 1281 CA CYS A 94 -11.041 5.564 22.102 1.00 25.02 C ATOM 1282 C CYS A 94 -10.691 6.962 22.602 1.00 25.11 C ATOM 1283 O CYS A 94 -11.431 7.558 23.385 1.00 25.41 O ATOM 1284 CB CYS A 94 -12.504 5.521 21.655 1.00 14.14 C ATOM 1285 SG CYS A 94 -12.952 6.814 20.473 1.00 22.22 S ATOM 0 H CYS A 94 -11.604 4.377 23.737 1.00 52.34 H new ATOM 0 HA CYS A 94 -10.401 5.331 21.251 1.00 25.02 H new ATOM 0 HB2 CYS A 94 -12.708 4.548 21.208 1.00 14.14 H new ATOM 0 HB3 CYS A 94 -13.144 5.609 22.533 1.00 14.14 H new ATOM 0 HG CYS A 94 -13.445 6.269 19.400 1.00 22.22 H new ATOM 1291 N LYS A 95 -9.557 7.482 22.143 1.00 25.51 N ATOM 1292 CA LYS A 95 -9.107 8.810 22.543 1.00 31.13 C ATOM 1293 C LYS A 95 -8.861 9.691 21.323 1.00 2.43 C ATOM 1294 O LYS A 95 -8.018 9.380 20.479 1.00 65.53 O ATOM 1295 CB LYS A 95 -7.828 8.708 23.377 1.00 74.00 C ATOM 1296 CG LYS A 95 -6.802 7.746 22.802 1.00 51.14 C ATOM 1297 CD LYS A 95 -6.929 6.362 23.417 1.00 43.45 C ATOM 1298 CE LYS A 95 -6.116 6.243 24.696 1.00 53.34 C ATOM 1299 NZ LYS A 95 -4.770 5.656 24.446 1.00 61.05 N ATOM 0 H LYS A 95 -8.933 7.003 21.493 1.00 25.51 H new ATOM 0 HA LYS A 95 -9.892 9.266 23.147 1.00 31.13 H new ATOM 0 HB2 LYS A 95 -7.379 9.698 23.461 1.00 74.00 H new ATOM 0 HB3 LYS A 95 -8.087 8.389 24.387 1.00 74.00 H new ATOM 0 HG2 LYS A 95 -6.931 7.678 21.722 1.00 51.14 H new ATOM 0 HG3 LYS A 95 -5.799 8.134 22.980 1.00 51.14 H new ATOM 0 HD2 LYS A 95 -7.977 6.152 23.630 1.00 43.45 H new ATOM 0 HD3 LYS A 95 -6.593 5.612 22.700 1.00 43.45 H new ATOM 0 HE2 LYS A 95 -6.004 7.229 25.148 1.00 53.34 H new ATOM 0 HE3 LYS A 95 -6.655 5.623 25.412 1.00 53.34 H new ATOM 0 HZ1 LYS A 95 -4.247 5.592 25.343 1.00 61.05 H new ATOM 0 HZ2 LYS A 95 -4.876 4.705 24.038 1.00 61.05 H new ATOM 0 HZ3 LYS A 95 -4.245 6.261 23.782 1.00 61.05 H new ATOM 1313 N LEU A 96 -9.602 10.791 21.235 1.00 14.42 N ATOM 1314 CA LEU A 96 -9.463 11.719 20.117 1.00 74.32 C ATOM 1315 C LEU A 96 -9.229 13.141 20.616 1.00 11.43 C ATOM 1316 O LEU A 96 -9.604 13.485 21.736 1.00 53.41 O ATOM 1317 CB LEU A 96 -10.710 11.674 19.234 1.00 63.13 C ATOM 1318 CG LEU A 96 -11.910 12.487 19.725 1.00 14.34 C ATOM 1319 CD1 LEU A 96 -12.128 13.703 18.839 1.00 1.22 C ATOM 1320 CD2 LEU A 96 -13.160 11.622 19.763 1.00 32.34 C ATOM 0 H LEU A 96 -10.304 11.062 21.923 1.00 14.42 H new ATOM 0 HA LEU A 96 -8.598 11.414 19.528 1.00 74.32 H new ATOM 0 HB2 LEU A 96 -10.439 12.028 18.239 1.00 63.13 H new ATOM 0 HB3 LEU A 96 -11.019 10.634 19.129 1.00 63.13 H new ATOM 0 HG LEU A 96 -11.701 12.833 20.737 1.00 14.34 H new ATOM 0 HD11 LEU A 96 -12.985 14.269 19.203 1.00 1.22 H new ATOM 0 HD12 LEU A 96 -11.240 14.334 18.862 1.00 1.22 H new ATOM 0 HD13 LEU A 96 -12.316 13.378 17.815 1.00 1.22 H new ATOM 0 HD21 LEU A 96 -14.003 12.216 20.114 1.00 32.34 H new ATOM 0 HD22 LEU A 96 -13.373 11.246 18.762 1.00 32.34 H new ATOM 0 HD23 LEU A 96 -13.001 10.782 20.440 1.00 32.34 H new ATOM 1332 N ASN A 97 -8.609 13.963 19.775 1.00 61.24 N ATOM 1333 CA ASN A 97 -8.327 15.350 20.131 1.00 12.05 C ATOM 1334 C ASN A 97 -7.364 15.423 21.312 1.00 1.23 C ATOM 1335 O ASN A 97 -7.378 16.385 22.078 1.00 32.01 O ATOM 1336 CB ASN A 97 -9.626 16.084 20.470 1.00 42.42 C ATOM 1337 CG ASN A 97 -9.619 17.522 19.988 1.00 11.24 C ATOM 1338 OD1 ASN A 97 -9.041 18.401 20.628 1.00 31.11 O ATOM 1339 ND2 ASN A 97 -10.264 17.769 18.854 1.00 13.14 N ATOM 0 H ASN A 97 -8.293 13.694 18.844 1.00 61.24 H new ATOM 0 HA ASN A 97 -7.858 15.832 19.273 1.00 12.05 H new ATOM 0 HB2 ASN A 97 -10.467 15.556 20.019 1.00 42.42 H new ATOM 0 HB3 ASN A 97 -9.780 16.066 21.549 1.00 42.42 H new ATOM 0 HD21 ASN A 97 -10.294 18.718 18.481 1.00 13.14 H new ATOM 0 HD22 ASN A 97 -10.729 17.010 18.356 1.00 13.14 H new ATOM 1346 N GLY A 98 -6.527 14.400 21.451 1.00 33.24 N ATOM 1347 CA GLY A 98 -5.569 14.368 22.540 1.00 53.41 C ATOM 1348 C GLY A 98 -6.172 13.848 23.829 1.00 34.14 C ATOM 1349 O GLY A 98 -5.915 14.387 24.904 1.00 31.12 O ATOM 0 H GLY A 98 -6.495 13.593 20.829 1.00 33.24 H new ATOM 0 HA2 GLY A 98 -4.725 13.739 22.258 1.00 53.41 H new ATOM 0 HA3 GLY A 98 -5.178 15.372 22.705 1.00 53.41 H new ATOM 1353 N GLY A 99 -6.979 12.797 23.721 1.00 13.23 N ATOM 1354 CA GLY A 99 -7.610 12.222 24.895 1.00 40.14 C ATOM 1355 C GLY A 99 -8.993 12.788 25.145 1.00 22.24 C ATOM 1356 O GLY A 99 -9.202 13.539 26.097 1.00 55.14 O ATOM 0 H GLY A 99 -7.207 12.333 22.842 1.00 13.23 H new ATOM 0 HA2 GLY A 99 -7.680 11.141 24.774 1.00 40.14 H new ATOM 0 HA3 GLY A 99 -6.983 12.405 25.767 1.00 40.14 H new ATOM 1360 N SER A 100 -9.942 12.429 24.286 1.00 4.52 N ATOM 1361 CA SER A 100 -11.312 12.910 24.415 1.00 41.54 C ATOM 1362 C SER A 100 -12.289 11.958 23.732 1.00 24.34 C ATOM 1363 O SER A 100 -12.076 11.545 22.591 1.00 25.13 O ATOM 1364 CB SER A 100 -11.442 14.311 23.812 1.00 11.54 C ATOM 1365 OG SER A 100 -12.252 15.142 24.624 1.00 44.54 O ATOM 0 H SER A 100 -9.787 11.806 23.493 1.00 4.52 H new ATOM 0 HA SER A 100 -11.557 12.954 25.476 1.00 41.54 H new ATOM 0 HB2 SER A 100 -10.453 14.756 23.703 1.00 11.54 H new ATOM 0 HB3 SER A 100 -11.873 14.242 22.813 1.00 11.54 H new ATOM 0 HG SER A 100 -12.318 16.032 24.218 1.00 44.54 H new ATOM 1371 N CYS A 101 -13.360 11.613 24.438 1.00 24.10 N ATOM 1372 CA CYS A 101 -14.371 10.708 23.902 1.00 45.33 C ATOM 1373 C CYS A 101 -15.567 10.611 24.843 1.00 5.04 C ATOM 1374 O CYS A 101 -15.407 10.492 26.057 1.00 75.34 O ATOM 1375 CB CYS A 101 -13.772 9.320 23.673 1.00 73.42 C ATOM 1376 SG CYS A 101 -14.978 8.070 23.170 1.00 11.24 S ATOM 0 H CYS A 101 -13.551 11.946 25.383 1.00 24.10 H new ATOM 0 HA CYS A 101 -14.714 11.109 22.948 1.00 45.33 H new ATOM 0 HB2 CYS A 101 -12.998 9.391 22.909 1.00 73.42 H new ATOM 0 HB3 CYS A 101 -13.284 8.991 24.590 1.00 73.42 H new ATOM 0 HG CYS A 101 -14.525 7.420 22.139 1.00 11.24 H new