USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=32 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 61 HIS : no HD1:sc= -2.03 K(o=-1.4,f=-5.4) USER MOD Set 1.2: A 63 THR OG1 : rot -125:sc= 0.645 USER MOD Set 2.1: A 26 ASN : amide:sc= -0.5 K(o=-2.8,f=-4.2!) USER MOD Set 2.2: A 97 ASN : amide:sc= -2.35 K(o=-2.8,f=-3.9!) USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= -1.08 USER MOD Set 3.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -28:sc= 0.0213 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 145:sc= -1.01 (180deg=-2.31!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -29:sc= 0.0675 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 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 31:sc= 0.0773 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00101 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.627 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0846 USER MOD Single : A 45 THR OG1 : rot 177:sc= -0.269 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= -0.201 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 13:sc= 0.915 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.73 K(o=-1.7,f=-3.1) USER MOD Single : A 70 ASN : amide:sc= -2.28 K(o=-2.3,f=-3.7!) USER MOD Single : A 72 THR OG1 : rot 4:sc= 0.743! USER MOD Single : A 78 SER OG : rot 20:sc= 0.111 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -2.36 K(o=-2.4,f=-3.5) 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 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.387 X(o=-0.39,f=0) USER MOD Single : A 94 CYS SG : rot -111:sc= 0.514 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 180:sc= -0.395 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -17.835 14.618 21.105 1.00 4.42 N ATOM 47 CA THR A 5 -17.809 13.211 21.481 1.00 32.11 C ATOM 48 C THR A 5 -17.894 12.311 20.253 1.00 54.31 C ATOM 49 O THR A 5 -18.229 12.768 19.161 1.00 1.32 O ATOM 50 CB THR A 5 -18.964 12.863 22.439 1.00 13.25 C ATOM 51 OG1 THR A 5 -20.221 13.060 21.782 1.00 21.20 O ATOM 52 CG2 THR A 5 -18.902 13.718 23.694 1.00 75.45 C ATOM 0 HA THR A 5 -16.861 13.038 21.990 1.00 32.11 H new ATOM 0 HB THR A 5 -18.865 11.816 22.727 1.00 13.25 H new ATOM 0 HG1 THR A 5 -20.128 13.758 21.100 1.00 21.20 H new ATOM 0 HG21 THR A 5 -19.727 13.454 24.355 1.00 75.45 H new ATOM 0 HG22 THR A 5 -17.956 13.543 24.207 1.00 75.45 H new ATOM 0 HG23 THR A 5 -18.978 14.771 23.421 1.00 75.45 H new ATOM 60 N ALA A 6 -17.587 11.032 20.439 1.00 71.32 N ATOM 61 CA ALA A 6 -17.631 10.069 19.347 1.00 23.04 C ATOM 62 C ALA A 6 -18.212 8.737 19.812 1.00 23.10 C ATOM 63 O ALA A 6 -18.274 8.459 21.009 1.00 63.53 O ATOM 64 CB ALA A 6 -16.240 9.865 18.766 1.00 25.13 C ATOM 0 H ALA A 6 -17.305 10.639 21.337 1.00 71.32 H new ATOM 0 HA ALA A 6 -18.282 10.469 18.570 1.00 23.04 H new ATOM 0 HB1 ALA A 6 -16.288 9.143 17.951 1.00 25.13 H new ATOM 0 HB2 ALA A 6 -15.861 10.814 18.388 1.00 25.13 H new ATOM 0 HB3 ALA A 6 -15.573 9.491 19.543 1.00 25.13 H new ATOM 70 N THR A 7 -18.639 7.917 18.856 1.00 75.25 N ATOM 71 CA THR A 7 -19.217 6.616 19.168 1.00 31.13 C ATOM 72 C THR A 7 -18.859 5.586 18.102 1.00 53.04 C ATOM 73 O THR A 7 -18.715 5.919 16.926 1.00 23.24 O ATOM 74 CB THR A 7 -20.750 6.697 19.293 1.00 1.35 C ATOM 75 OG1 THR A 7 -21.181 8.056 19.159 1.00 74.31 O ATOM 76 CG2 THR A 7 -21.215 6.141 20.629 1.00 30.24 C ATOM 0 H THR A 7 -18.595 8.131 17.860 1.00 75.25 H new ATOM 0 HA THR A 7 -18.798 6.306 20.125 1.00 31.13 H new ATOM 0 HB THR A 7 -21.189 6.097 18.496 1.00 1.35 H new ATOM 0 HG1 THR A 7 -22.157 8.099 19.238 1.00 74.31 H new ATOM 0 HG21 THR A 7 -22.301 6.209 20.693 1.00 30.24 H new ATOM 0 HG22 THR A 7 -20.911 5.098 20.714 1.00 30.24 H new ATOM 0 HG23 THR A 7 -20.767 6.717 21.439 1.00 30.24 H new ATOM 84 N PHE A 8 -18.715 4.333 18.522 1.00 1.15 N ATOM 85 CA PHE A 8 -18.373 3.254 17.603 1.00 21.50 C ATOM 86 C PHE A 8 -19.630 2.642 16.992 1.00 11.35 C ATOM 87 O PHE A 8 -20.674 2.564 17.638 1.00 15.10 O ATOM 88 CB PHE A 8 -17.568 2.173 18.329 1.00 2.33 C ATOM 89 CG PHE A 8 -17.210 1.005 17.455 1.00 73.35 C ATOM 90 CD1 PHE A 8 -16.377 1.170 16.361 1.00 60.31 C ATOM 91 CD2 PHE A 8 -17.707 -0.259 17.730 1.00 31.21 C ATOM 92 CE1 PHE A 8 -16.046 0.096 15.557 1.00 5.53 C ATOM 93 CE2 PHE A 8 -17.380 -1.338 16.929 1.00 40.43 C ATOM 94 CZ PHE A 8 -16.548 -1.159 15.841 1.00 32.23 C ATOM 0 H PHE A 8 -18.830 4.040 19.492 1.00 1.15 H new ATOM 0 HA PHE A 8 -17.766 3.673 16.800 1.00 21.50 H new ATOM 0 HB2 PHE A 8 -16.653 2.616 18.723 1.00 2.33 H new ATOM 0 HB3 PHE A 8 -18.143 1.815 19.183 1.00 2.33 H new ATOM 0 HD1 PHE A 8 -15.982 2.149 16.134 1.00 60.31 H new ATOM 0 HD2 PHE A 8 -18.357 -0.403 18.580 1.00 31.21 H new ATOM 0 HE1 PHE A 8 -15.395 0.238 14.707 1.00 5.53 H new ATOM 0 HE2 PHE A 8 -17.774 -2.318 17.154 1.00 40.43 H new ATOM 0 HZ PHE A 8 -16.290 -1.999 15.213 1.00 32.23 H new ATOM 104 N ALA A 9 -19.521 2.209 15.739 1.00 12.21 N ATOM 105 CA ALA A 9 -20.646 1.604 15.039 1.00 25.52 C ATOM 106 C ALA A 9 -20.189 0.439 14.168 1.00 30.31 C ATOM 107 O ALA A 9 -18.991 0.194 14.019 1.00 25.54 O ATOM 108 CB ALA A 9 -21.367 2.645 14.196 1.00 0.33 C ATOM 0 H ALA A 9 -18.664 2.267 15.189 1.00 12.21 H new ATOM 0 HA ALA A 9 -21.339 1.215 15.786 1.00 25.52 H new ATOM 0 HB1 ALA A 9 -22.205 2.178 13.679 1.00 0.33 H new ATOM 0 HB2 ALA A 9 -21.737 3.442 14.841 1.00 0.33 H new ATOM 0 HB3 ALA A 9 -20.676 3.062 13.463 1.00 0.33 H new ATOM 114 N LYS A 10 -21.150 -0.278 13.595 1.00 14.31 N ATOM 115 CA LYS A 10 -20.847 -1.418 12.737 1.00 51.23 C ATOM 116 C LYS A 10 -21.311 -1.163 11.307 1.00 45.23 C ATOM 117 O LYS A 10 -22.167 -0.309 11.064 1.00 14.34 O ATOM 118 CB LYS A 10 -21.512 -2.684 13.283 1.00 44.32 C ATOM 119 CG LYS A 10 -20.579 -3.881 13.347 1.00 24.32 C ATOM 120 CD LYS A 10 -20.725 -4.767 12.121 1.00 33.52 C ATOM 121 CE LYS A 10 -19.409 -5.437 11.758 1.00 13.54 C ATOM 122 NZ LYS A 10 -18.888 -6.277 12.871 1.00 32.40 N ATOM 0 H LYS A 10 -22.146 -0.090 13.709 1.00 14.31 H new ATOM 0 HA LYS A 10 -19.766 -1.557 12.729 1.00 51.23 H new ATOM 0 HB2 LYS A 10 -21.897 -2.480 14.282 1.00 44.32 H new ATOM 0 HB3 LYS A 10 -22.368 -2.934 12.656 1.00 44.32 H new ATOM 0 HG2 LYS A 10 -19.548 -3.536 13.427 1.00 24.32 H new ATOM 0 HG3 LYS A 10 -20.792 -4.462 14.244 1.00 24.32 H new ATOM 0 HD2 LYS A 10 -21.482 -5.528 12.309 1.00 33.52 H new ATOM 0 HD3 LYS A 10 -21.075 -4.170 11.279 1.00 33.52 H new ATOM 0 HE2 LYS A 10 -19.549 -6.055 10.871 1.00 13.54 H new ATOM 0 HE3 LYS A 10 -18.672 -4.675 11.502 1.00 13.54 H new ATOM 0 HZ1 LYS A 10 -18.412 -7.115 12.480 1.00 32.40 H new ATOM 0 HZ2 LYS A 10 -18.210 -5.725 13.435 1.00 32.40 H new ATOM 0 HZ3 LYS A 10 -19.677 -6.579 13.477 1.00 32.40 H new ATOM 136 N THR A 11 -20.745 -1.907 10.363 1.00 10.11 N ATOM 137 CA THR A 11 -21.102 -1.761 8.957 1.00 52.21 C ATOM 138 C THR A 11 -21.499 -3.102 8.349 1.00 43.14 C ATOM 139 O THR A 11 -22.610 -3.258 7.840 1.00 55.01 O ATOM 140 CB THR A 11 -19.940 -1.165 8.142 1.00 40.34 C ATOM 141 OG1 THR A 11 -18.972 -0.582 9.022 1.00 30.23 O ATOM 142 CG2 THR A 11 -20.446 -0.111 7.169 1.00 3.12 C ATOM 0 H THR A 11 -20.037 -2.618 10.546 1.00 10.11 H new ATOM 0 HA THR A 11 -21.952 -1.080 8.915 1.00 52.21 H new ATOM 0 HB THR A 11 -19.475 -1.970 7.573 1.00 40.34 H new ATOM 0 HG1 THR A 11 -18.235 -0.207 8.496 1.00 30.23 H new ATOM 0 HG21 THR A 11 -19.607 0.296 6.604 1.00 3.12 H new ATOM 0 HG22 THR A 11 -21.161 -0.564 6.482 1.00 3.12 H new ATOM 0 HG23 THR A 11 -20.934 0.691 7.723 1.00 3.12 H new ATOM 150 N SER A 12 -20.586 -4.065 8.406 1.00 12.13 N ATOM 151 CA SER A 12 -20.840 -5.393 7.856 1.00 64.54 C ATOM 152 C SER A 12 -19.646 -6.313 8.084 1.00 74.20 C ATOM 153 O SER A 12 -18.502 -5.941 7.820 1.00 22.22 O ATOM 154 CB SER A 12 -21.149 -5.299 6.361 1.00 1.33 C ATOM 155 OG SER A 12 -20.331 -4.327 5.732 1.00 43.23 O ATOM 0 H SER A 12 -19.664 -3.952 8.827 1.00 12.13 H new ATOM 0 HA SER A 12 -21.703 -5.813 8.372 1.00 64.54 H new ATOM 0 HB2 SER A 12 -20.991 -6.270 5.892 1.00 1.33 H new ATOM 0 HB3 SER A 12 -22.199 -5.043 6.219 1.00 1.33 H new ATOM 0 HG SER A 12 -20.546 -4.287 4.777 1.00 43.23 H new ATOM 161 N ASP A 13 -19.919 -7.516 8.577 1.00 54.14 N ATOM 162 CA ASP A 13 -18.867 -8.492 8.840 1.00 42.53 C ATOM 163 C ASP A 13 -19.021 -9.712 7.938 1.00 55.21 C ATOM 164 O ASP A 13 -20.092 -10.314 7.868 1.00 11.13 O ATOM 165 CB ASP A 13 -18.896 -8.920 10.308 1.00 11.10 C ATOM 166 CG ASP A 13 -20.307 -9.028 10.853 1.00 41.54 C ATOM 167 OD1 ASP A 13 -21.131 -9.729 10.229 1.00 41.12 O ATOM 168 OD2 ASP A 13 -20.587 -8.410 11.901 1.00 74.43 O ATOM 0 H ASP A 13 -20.860 -7.839 8.803 1.00 54.14 H new ATOM 0 HA ASP A 13 -17.907 -8.023 8.625 1.00 42.53 H new ATOM 0 HB2 ASP A 13 -18.395 -9.882 10.413 1.00 11.10 H new ATOM 0 HB3 ASP A 13 -18.334 -8.201 10.904 1.00 11.10 H new ATOM 173 N TRP A 14 -17.943 -10.070 7.248 1.00 42.01 N ATOM 174 CA TRP A 14 -17.958 -11.218 6.349 1.00 34.10 C ATOM 175 C TRP A 14 -17.104 -12.354 6.902 1.00 41.51 C ATOM 176 O TRP A 14 -15.948 -12.520 6.513 1.00 24.12 O ATOM 177 CB TRP A 14 -17.454 -10.813 4.962 1.00 61.34 C ATOM 178 CG TRP A 14 -16.212 -9.976 5.003 1.00 11.11 C ATOM 179 CD1 TRP A 14 -14.928 -10.408 4.838 1.00 53.25 C ATOM 180 CD2 TRP A 14 -16.138 -8.564 5.226 1.00 41.53 C ATOM 181 NE1 TRP A 14 -14.058 -9.348 4.944 1.00 41.21 N ATOM 182 CE2 TRP A 14 -14.776 -8.205 5.181 1.00 31.32 C ATOM 183 CE3 TRP A 14 -17.089 -7.565 5.455 1.00 71.11 C ATOM 184 CZ2 TRP A 14 -14.345 -6.894 5.358 1.00 62.45 C ATOM 185 CZ3 TRP A 14 -16.659 -6.264 5.633 1.00 2.42 C ATOM 186 CH2 TRP A 14 -15.297 -5.937 5.583 1.00 22.44 C ATOM 0 H TRP A 14 -17.049 -9.582 7.294 1.00 42.01 H new ATOM 0 HA TRP A 14 -18.987 -11.569 6.266 1.00 34.10 H new ATOM 0 HB2 TRP A 14 -17.259 -11.712 4.377 1.00 61.34 H new ATOM 0 HB3 TRP A 14 -18.239 -10.261 4.445 1.00 61.34 H new ATOM 0 HD1 TRP A 14 -14.638 -11.431 4.652 1.00 53.25 H new ATOM 0 HE1 TRP A 14 -13.043 -9.404 4.860 1.00 41.21 H new ATOM 0 HE3 TRP A 14 -18.141 -7.806 5.492 1.00 71.11 H new ATOM 0 HZ2 TRP A 14 -13.296 -6.640 5.319 1.00 62.45 H new ATOM 0 HZ3 TRP A 14 -17.385 -5.485 5.814 1.00 2.42 H new ATOM 0 HH2 TRP A 14 -14.993 -4.910 5.725 1.00 22.44 H new ATOM 197 N GLY A 15 -17.680 -13.133 7.812 1.00 31.24 N ATOM 198 CA GLY A 15 -16.956 -14.244 8.403 1.00 62.12 C ATOM 199 C GLY A 15 -15.904 -13.788 9.394 1.00 72.13 C ATOM 200 O GLY A 15 -16.164 -13.707 10.595 1.00 32.24 O ATOM 0 H GLY A 15 -18.635 -13.015 8.151 1.00 31.24 H new ATOM 0 HA2 GLY A 15 -17.661 -14.907 8.905 1.00 62.12 H new ATOM 0 HA3 GLY A 15 -16.479 -14.825 7.613 1.00 62.12 H new ATOM 204 N THR A 16 -14.710 -13.490 8.892 1.00 41.43 N ATOM 205 CA THR A 16 -13.614 -13.041 9.741 1.00 33.45 C ATOM 206 C THR A 16 -13.438 -11.530 9.661 1.00 62.23 C ATOM 207 O THR A 16 -12.801 -10.922 10.521 1.00 64.54 O ATOM 208 CB THR A 16 -12.287 -13.722 9.353 1.00 24.31 C ATOM 209 OG1 THR A 16 -11.244 -13.301 10.238 1.00 14.51 O ATOM 210 CG2 THR A 16 -11.908 -13.389 7.918 1.00 22.22 C ATOM 0 H THR A 16 -14.477 -13.552 7.901 1.00 41.43 H new ATOM 0 HA THR A 16 -13.873 -13.320 10.763 1.00 33.45 H new ATOM 0 HB THR A 16 -12.419 -14.801 9.436 1.00 24.31 H new ATOM 0 HG1 THR A 16 -11.433 -12.394 10.558 1.00 14.51 H new ATOM 0 HG21 THR A 16 -10.968 -13.881 7.666 1.00 22.22 H new ATOM 0 HG22 THR A 16 -12.691 -13.737 7.245 1.00 22.22 H new ATOM 0 HG23 THR A 16 -11.793 -12.310 7.813 1.00 22.22 H new ATOM 218 N GLY A 17 -14.009 -10.926 8.623 1.00 54.53 N ATOM 219 CA GLY A 17 -13.903 -9.489 8.451 1.00 2.30 C ATOM 220 C GLY A 17 -15.025 -8.739 9.142 1.00 1.21 C ATOM 221 O GLY A 17 -16.102 -9.290 9.368 1.00 51.44 O ATOM 0 H GLY A 17 -14.543 -11.406 7.899 1.00 54.53 H new ATOM 0 HA2 GLY A 17 -12.946 -9.148 8.845 1.00 2.30 H new ATOM 0 HA3 GLY A 17 -13.912 -9.252 7.387 1.00 2.30 H new ATOM 225 N PHE A 18 -14.772 -7.479 9.479 1.00 51.51 N ATOM 226 CA PHE A 18 -15.767 -6.652 10.150 1.00 63.54 C ATOM 227 C PHE A 18 -15.697 -5.209 9.660 1.00 62.12 C ATOM 228 O PHE A 18 -14.617 -4.685 9.389 1.00 25.35 O ATOM 229 CB PHE A 18 -15.561 -6.699 11.666 1.00 42.34 C ATOM 230 CG PHE A 18 -14.487 -5.769 12.154 1.00 13.35 C ATOM 231 CD1 PHE A 18 -13.165 -6.181 12.202 1.00 14.44 C ATOM 232 CD2 PHE A 18 -14.798 -4.482 12.562 1.00 3.15 C ATOM 233 CE1 PHE A 18 -12.175 -5.329 12.650 1.00 72.05 C ATOM 234 CE2 PHE A 18 -13.812 -3.624 13.011 1.00 12.33 C ATOM 235 CZ PHE A 18 -12.498 -4.048 13.055 1.00 44.40 C ATOM 0 H PHE A 18 -13.885 -7.008 9.298 1.00 51.51 H new ATOM 0 HA PHE A 18 -16.753 -7.049 9.911 1.00 63.54 H new ATOM 0 HB2 PHE A 18 -16.500 -6.448 12.160 1.00 42.34 H new ATOM 0 HB3 PHE A 18 -15.309 -7.718 11.959 1.00 42.34 H new ATOM 0 HD1 PHE A 18 -12.906 -7.180 11.885 1.00 14.44 H new ATOM 0 HD2 PHE A 18 -15.824 -4.145 12.529 1.00 3.15 H new ATOM 0 HE1 PHE A 18 -11.149 -5.664 12.684 1.00 72.05 H new ATOM 0 HE2 PHE A 18 -14.068 -2.624 13.327 1.00 12.33 H new ATOM 0 HZ PHE A 18 -11.725 -3.380 13.405 1.00 44.40 H new ATOM 245 N GLY A 19 -16.858 -4.571 9.548 1.00 64.42 N ATOM 246 CA GLY A 19 -16.908 -3.195 9.090 1.00 11.33 C ATOM 247 C GLY A 19 -17.046 -2.208 10.231 1.00 64.33 C ATOM 248 O GLY A 19 -18.038 -2.226 10.960 1.00 13.33 O ATOM 0 H GLY A 19 -17.765 -4.983 9.766 1.00 64.42 H new ATOM 0 HA2 GLY A 19 -16.002 -2.970 8.527 1.00 11.33 H new ATOM 0 HA3 GLY A 19 -17.748 -3.074 8.405 1.00 11.33 H new ATOM 252 N GLY A 20 -16.048 -1.344 10.390 1.00 34.43 N ATOM 253 CA GLY A 20 -16.081 -0.359 11.455 1.00 33.04 C ATOM 254 C GLY A 20 -16.552 0.999 10.973 1.00 43.34 C ATOM 255 O GLY A 20 -16.242 1.411 9.855 1.00 21.11 O ATOM 0 H GLY A 20 -15.217 -1.309 9.800 1.00 34.43 H new ATOM 0 HA2 GLY A 20 -16.741 -0.709 12.249 1.00 33.04 H new ATOM 0 HA3 GLY A 20 -15.085 -0.262 11.888 1.00 33.04 H new ATOM 259 N SER A 21 -17.304 1.697 11.818 1.00 3.25 N ATOM 260 CA SER A 21 -17.823 3.014 11.470 1.00 64.22 C ATOM 261 C SER A 21 -17.759 3.957 12.667 1.00 63.03 C ATOM 262 O SER A 21 -18.462 3.766 13.660 1.00 51.34 O ATOM 263 CB SER A 21 -19.267 2.902 10.973 1.00 55.32 C ATOM 264 OG SER A 21 -19.330 3.014 9.561 1.00 34.21 O ATOM 0 H SER A 21 -17.567 1.372 12.748 1.00 3.25 H new ATOM 0 HA SER A 21 -17.202 3.423 10.673 1.00 64.22 H new ATOM 0 HB2 SER A 21 -19.689 1.947 11.284 1.00 55.32 H new ATOM 0 HB3 SER A 21 -19.874 3.683 11.431 1.00 55.32 H new ATOM 0 HG SER A 21 -20.262 2.938 9.268 1.00 34.21 H new ATOM 270 N TRP A 22 -16.910 4.974 12.566 1.00 22.42 N ATOM 271 CA TRP A 22 -16.753 5.948 13.640 1.00 33.10 C ATOM 272 C TRP A 22 -17.588 7.194 13.373 1.00 0.35 C ATOM 273 O TRP A 22 -17.593 7.724 12.261 1.00 11.12 O ATOM 274 CB TRP A 22 -15.280 6.329 13.798 1.00 45.04 C ATOM 275 CG TRP A 22 -14.421 5.199 14.279 1.00 63.24 C ATOM 276 CD1 TRP A 22 -13.626 4.393 13.517 1.00 74.42 C ATOM 277 CD2 TRP A 22 -14.274 4.752 15.631 1.00 35.43 C ATOM 278 NE1 TRP A 22 -12.992 3.468 14.313 1.00 64.24 N ATOM 279 CE2 TRP A 22 -13.372 3.668 15.615 1.00 2.21 C ATOM 280 CE3 TRP A 22 -14.813 5.160 16.853 1.00 30.40 C ATOM 281 CZ2 TRP A 22 -13.002 2.991 16.773 1.00 60.24 C ATOM 282 CZ3 TRP A 22 -14.444 4.486 18.002 1.00 70.21 C ATOM 283 CH2 TRP A 22 -13.546 3.412 17.956 1.00 31.31 C ATOM 0 H TRP A 22 -16.320 5.145 11.752 1.00 22.42 H new ATOM 0 HA TRP A 22 -17.105 5.491 14.565 1.00 33.10 H new ATOM 0 HB2 TRP A 22 -14.899 6.683 12.840 1.00 45.04 H new ATOM 0 HB3 TRP A 22 -15.200 7.160 14.499 1.00 45.04 H new ATOM 0 HD1 TRP A 22 -13.512 4.470 12.446 1.00 74.42 H new ATOM 0 HE1 TRP A 22 -12.345 2.750 13.988 1.00 64.24 H new ATOM 0 HE3 TRP A 22 -15.506 5.987 16.899 1.00 30.40 H new ATOM 0 HZ2 TRP A 22 -12.310 2.163 16.739 1.00 60.24 H new ATOM 0 HZ3 TRP A 22 -14.855 4.793 18.952 1.00 70.21 H new ATOM 0 HH2 TRP A 22 -13.278 2.906 18.872 1.00 31.31 H new ATOM 294 N THR A 23 -18.295 7.660 14.397 1.00 61.54 N ATOM 295 CA THR A 23 -19.135 8.844 14.272 1.00 61.42 C ATOM 296 C THR A 23 -18.639 9.968 15.173 1.00 55.12 C ATOM 297 O THR A 23 -18.770 9.902 16.396 1.00 14.33 O ATOM 298 CB THR A 23 -20.603 8.531 14.621 1.00 74.45 C ATOM 299 OG1 THR A 23 -21.084 7.459 13.802 1.00 53.20 O ATOM 300 CG2 THR A 23 -21.479 9.760 14.425 1.00 34.45 C ATOM 0 H THR A 23 -18.302 7.234 15.324 1.00 61.54 H new ATOM 0 HA THR A 23 -19.077 9.164 13.232 1.00 61.42 H new ATOM 0 HB THR A 23 -20.650 8.235 15.669 1.00 74.45 H new ATOM 0 HG1 THR A 23 -22.017 7.265 14.031 1.00 53.20 H new ATOM 0 HG21 THR A 23 -22.511 9.515 14.677 1.00 34.45 H new ATOM 0 HG22 THR A 23 -21.128 10.564 15.072 1.00 34.45 H new ATOM 0 HG23 THR A 23 -21.426 10.082 13.385 1.00 34.45 H new ATOM 308 N VAL A 24 -18.068 11.002 14.563 1.00 3.23 N ATOM 309 CA VAL A 24 -17.553 12.143 15.310 1.00 64.52 C ATOM 310 C VAL A 24 -18.449 13.365 15.135 1.00 22.04 C ATOM 311 O VAL A 24 -18.828 13.716 14.017 1.00 54.15 O ATOM 312 CB VAL A 24 -16.123 12.502 14.870 1.00 53.42 C ATOM 313 CG1 VAL A 24 -15.524 13.548 15.800 1.00 1.21 C ATOM 314 CG2 VAL A 24 -15.250 11.257 14.825 1.00 24.34 C ATOM 0 H VAL A 24 -17.950 11.073 13.552 1.00 3.23 H new ATOM 0 HA VAL A 24 -17.540 11.853 16.361 1.00 64.52 H new ATOM 0 HB VAL A 24 -16.167 12.924 13.866 1.00 53.42 H new ATOM 0 HG11 VAL A 24 -14.513 13.789 15.473 1.00 1.21 H new ATOM 0 HG12 VAL A 24 -16.137 14.449 15.777 1.00 1.21 H new ATOM 0 HG13 VAL A 24 -15.493 13.156 16.817 1.00 1.21 H new ATOM 0 HG21 VAL A 24 -14.242 11.530 14.512 1.00 24.34 H new ATOM 0 HG22 VAL A 24 -15.212 10.803 15.815 1.00 24.34 H new ATOM 0 HG23 VAL A 24 -15.670 10.544 14.115 1.00 24.34 H new ATOM 324 N LYS A 25 -18.786 14.009 16.246 1.00 72.41 N ATOM 325 CA LYS A 25 -19.636 15.193 16.218 1.00 50.33 C ATOM 326 C LYS A 25 -19.139 16.244 17.205 1.00 70.14 C ATOM 327 O LYS A 25 -19.094 16.005 18.411 1.00 11.35 O ATOM 328 CB LYS A 25 -21.083 14.815 16.544 1.00 24.20 C ATOM 329 CG LYS A 25 -22.111 15.714 15.879 1.00 22.10 C ATOM 330 CD LYS A 25 -23.031 16.360 16.901 1.00 42.25 C ATOM 331 CE LYS A 25 -23.953 15.338 17.546 1.00 65.22 C ATOM 332 NZ LYS A 25 -24.053 15.532 19.020 1.00 12.43 N ATOM 0 H LYS A 25 -18.483 13.730 17.179 1.00 72.41 H new ATOM 0 HA LYS A 25 -19.594 15.615 15.214 1.00 50.33 H new ATOM 0 HB2 LYS A 25 -21.259 13.785 16.234 1.00 24.20 H new ATOM 0 HB3 LYS A 25 -21.225 14.852 17.624 1.00 24.20 H new ATOM 0 HG2 LYS A 25 -21.602 16.489 15.306 1.00 22.10 H new ATOM 0 HG3 LYS A 25 -22.702 15.131 15.173 1.00 22.10 H new ATOM 0 HD2 LYS A 25 -22.434 16.850 17.671 1.00 42.25 H new ATOM 0 HD3 LYS A 25 -23.626 17.135 16.418 1.00 42.25 H new ATOM 0 HE2 LYS A 25 -24.946 15.413 17.102 1.00 65.22 H new ATOM 0 HE3 LYS A 25 -23.585 14.334 17.336 1.00 65.22 H new ATOM 0 HZ1 LYS A 25 -24.691 14.816 19.422 1.00 12.43 H new ATOM 0 HZ2 LYS A 25 -23.110 15.435 19.448 1.00 12.43 H new ATOM 0 HZ3 LYS A 25 -24.428 16.481 19.221 1.00 12.43 H new ATOM 346 N ASN A 26 -18.767 17.410 16.685 1.00 10.25 N ATOM 347 CA ASN A 26 -18.274 18.497 17.521 1.00 51.25 C ATOM 348 C ASN A 26 -19.177 19.723 17.408 1.00 34.12 C ATOM 349 O ASN A 26 -19.102 20.476 16.437 1.00 13.15 O ATOM 350 CB ASN A 26 -16.844 18.867 17.123 1.00 14.13 C ATOM 351 CG ASN A 26 -15.884 17.700 17.269 1.00 64.13 C ATOM 352 OD1 ASN A 26 -16.230 16.666 17.839 1.00 53.01 O ATOM 353 ND2 ASN A 26 -14.672 17.864 16.754 1.00 53.15 N ATOM 0 H ASN A 26 -18.798 17.625 15.688 1.00 10.25 H new ATOM 0 HA ASN A 26 -18.280 18.156 18.556 1.00 51.25 H new ATOM 0 HB2 ASN A 26 -16.835 19.214 16.090 1.00 14.13 H new ATOM 0 HB3 ASN A 26 -16.500 19.696 17.741 1.00 14.13 H new ATOM 0 HD21 ASN A 26 -13.983 17.115 16.822 1.00 53.15 H new ATOM 0 HD22 ASN A 26 -14.429 18.739 16.290 1.00 53.15 H new ATOM 360 N THR A 27 -20.031 19.915 18.409 1.00 53.25 N ATOM 361 CA THR A 27 -20.948 21.048 18.423 1.00 2.35 C ATOM 362 C THR A 27 -20.737 21.912 19.660 1.00 64.32 C ATOM 363 O THR A 27 -20.241 21.439 20.683 1.00 5.24 O ATOM 364 CB THR A 27 -22.416 20.582 18.379 1.00 74.44 C ATOM 365 OG1 THR A 27 -22.545 19.308 19.021 1.00 54.31 O ATOM 366 CG2 THR A 27 -22.912 20.486 16.944 1.00 71.35 C ATOM 0 H THR A 27 -20.106 19.301 19.220 1.00 53.25 H new ATOM 0 HA THR A 27 -20.735 21.638 17.532 1.00 2.35 H new ATOM 0 HB THR A 27 -23.023 21.317 18.907 1.00 74.44 H new ATOM 0 HG1 THR A 27 -23.481 19.020 18.990 1.00 54.31 H new ATOM 0 HG21 THR A 27 -23.951 20.155 16.939 1.00 71.35 H new ATOM 0 HG22 THR A 27 -22.841 21.464 16.468 1.00 71.35 H new ATOM 0 HG23 THR A 27 -22.301 19.770 16.395 1.00 71.35 H new ATOM 374 N GLY A 28 -21.117 23.182 19.562 1.00 64.32 N ATOM 375 CA GLY A 28 -20.962 24.092 20.682 1.00 11.40 C ATOM 376 C GLY A 28 -19.551 24.092 21.237 1.00 22.32 C ATOM 377 O GLY A 28 -19.342 24.354 22.422 1.00 74.35 O ATOM 0 H GLY A 28 -21.530 23.597 18.727 1.00 64.32 H new ATOM 0 HA2 GLY A 28 -21.225 25.101 20.365 1.00 11.40 H new ATOM 0 HA3 GLY A 28 -21.660 23.814 21.472 1.00 11.40 H new ATOM 381 N THR A 29 -18.579 23.795 20.381 1.00 13.24 N ATOM 382 CA THR A 29 -17.182 23.758 20.793 1.00 34.55 C ATOM 383 C THR A 29 -16.377 24.856 20.107 1.00 32.31 C ATOM 384 O THR A 29 -16.775 25.372 19.062 1.00 34.24 O ATOM 385 CB THR A 29 -16.539 22.393 20.478 1.00 70.35 C ATOM 386 OG1 THR A 29 -17.473 21.341 20.738 1.00 33.53 O ATOM 387 CG2 THR A 29 -15.284 22.182 21.311 1.00 40.32 C ATOM 0 H THR A 29 -18.734 23.576 19.397 1.00 13.24 H new ATOM 0 HA THR A 29 -17.166 23.919 21.871 1.00 34.55 H new ATOM 0 HB THR A 29 -16.262 22.380 19.424 1.00 70.35 H new ATOM 0 HG1 THR A 29 -18.384 21.666 20.580 1.00 33.53 H new ATOM 0 HG21 THR A 29 -14.847 21.212 21.072 1.00 40.32 H new ATOM 0 HG22 THR A 29 -14.563 22.969 21.089 1.00 40.32 H new ATOM 0 HG23 THR A 29 -15.541 22.213 22.370 1.00 40.32 H new ATOM 395 N THR A 30 -15.241 25.210 20.701 1.00 62.40 N ATOM 396 CA THR A 30 -14.380 26.247 20.148 1.00 45.10 C ATOM 397 C THR A 30 -14.070 25.979 18.680 1.00 42.20 C ATOM 398 O THR A 30 -14.147 24.841 18.217 1.00 31.31 O ATOM 399 CB THR A 30 -13.058 26.356 20.929 1.00 53.21 C ATOM 400 OG1 THR A 30 -13.236 25.868 22.263 1.00 22.31 O ATOM 401 CG2 THR A 30 -12.572 27.797 20.972 1.00 42.44 C ATOM 0 H THR A 30 -14.896 24.793 21.566 1.00 62.40 H new ATOM 0 HA THR A 30 -14.923 27.188 20.236 1.00 45.10 H new ATOM 0 HB THR A 30 -12.309 25.751 20.418 1.00 53.21 H new ATOM 0 HG1 THR A 30 -12.390 25.939 22.753 1.00 22.31 H new ATOM 0 HG21 THR A 30 -11.637 27.849 21.529 1.00 42.44 H new ATOM 0 HG22 THR A 30 -12.410 28.157 19.956 1.00 42.44 H new ATOM 0 HG23 THR A 30 -13.321 28.419 21.462 1.00 42.44 H new ATOM 409 N SER A 31 -13.717 27.033 17.951 1.00 61.03 N ATOM 410 CA SER A 31 -13.397 26.911 16.534 1.00 51.21 C ATOM 411 C SER A 31 -12.355 25.821 16.304 1.00 71.24 C ATOM 412 O SER A 31 -11.200 25.954 16.713 1.00 1.42 O ATOM 413 CB SER A 31 -12.884 28.246 15.988 1.00 22.33 C ATOM 414 OG SER A 31 -13.757 29.307 16.335 1.00 33.04 O ATOM 0 H SER A 31 -13.645 27.982 18.319 1.00 61.03 H new ATOM 0 HA SER A 31 -14.309 26.636 16.004 1.00 51.21 H new ATOM 0 HB2 SER A 31 -11.888 28.446 16.383 1.00 22.33 H new ATOM 0 HB3 SER A 31 -12.790 28.187 14.904 1.00 22.33 H new ATOM 0 HG SER A 31 -13.407 30.149 15.976 1.00 33.04 H new ATOM 420 N LEU A 32 -12.770 24.743 15.650 1.00 2.21 N ATOM 421 CA LEU A 32 -11.873 23.628 15.364 1.00 72.41 C ATOM 422 C LEU A 32 -11.195 23.807 14.010 1.00 22.02 C ATOM 423 O LEU A 32 -11.504 24.739 13.268 1.00 74.32 O ATOM 424 CB LEU A 32 -12.645 22.307 15.390 1.00 64.44 C ATOM 425 CG LEU A 32 -12.725 21.603 16.745 1.00 63.24 C ATOM 426 CD1 LEU A 32 -14.172 21.478 17.198 1.00 40.31 C ATOM 427 CD2 LEU A 32 -12.066 20.234 16.675 1.00 34.43 C ATOM 0 H LEU A 32 -13.722 24.616 15.307 1.00 2.21 H new ATOM 0 HA LEU A 32 -11.103 23.607 16.135 1.00 72.41 H new ATOM 0 HB2 LEU A 32 -13.660 22.496 15.041 1.00 64.44 H new ATOM 0 HB3 LEU A 32 -12.183 21.625 14.676 1.00 64.44 H new ATOM 0 HG LEU A 32 -12.188 22.205 17.477 1.00 63.24 H new ATOM 0 HD11 LEU A 32 -14.209 20.974 18.164 1.00 40.31 H new ATOM 0 HD12 LEU A 32 -14.612 22.471 17.290 1.00 40.31 H new ATOM 0 HD13 LEU A 32 -14.734 20.899 16.465 1.00 40.31 H new ATOM 0 HD21 LEU A 32 -12.133 19.748 17.648 1.00 34.43 H new ATOM 0 HD22 LEU A 32 -12.574 19.623 15.929 1.00 34.43 H new ATOM 0 HD23 LEU A 32 -11.018 20.348 16.398 1.00 34.43 H new ATOM 439 N SER A 33 -10.271 22.906 13.693 1.00 54.13 N ATOM 440 CA SER A 33 -9.547 22.965 12.429 1.00 1.30 C ATOM 441 C SER A 33 -9.418 21.575 11.811 1.00 62.05 C ATOM 442 O SER A 33 -9.767 21.366 10.649 1.00 73.44 O ATOM 443 CB SER A 33 -8.160 23.572 12.639 1.00 52.54 C ATOM 444 OG SER A 33 -8.251 24.877 13.184 1.00 31.11 O ATOM 0 H SER A 33 -10.006 22.126 14.295 1.00 54.13 H new ATOM 0 HA SER A 33 -10.112 23.597 11.744 1.00 1.30 H new ATOM 0 HB2 SER A 33 -7.579 22.936 13.306 1.00 52.54 H new ATOM 0 HB3 SER A 33 -7.628 23.608 11.688 1.00 52.54 H new ATOM 0 HG SER A 33 -7.350 25.242 13.310 1.00 31.11 H new ATOM 450 N SER A 34 -8.916 20.629 12.597 1.00 54.25 N ATOM 451 CA SER A 34 -8.736 19.260 12.128 1.00 63.13 C ATOM 452 C SER A 34 -9.169 18.259 13.195 1.00 64.14 C ATOM 453 O SER A 34 -9.129 18.553 14.390 1.00 63.00 O ATOM 454 CB SER A 34 -7.275 19.016 11.748 1.00 52.23 C ATOM 455 OG SER A 34 -6.664 20.207 11.282 1.00 12.45 O ATOM 0 H SER A 34 -8.626 20.785 13.562 1.00 54.25 H new ATOM 0 HA SER A 34 -9.362 19.119 11.247 1.00 63.13 H new ATOM 0 HB2 SER A 34 -6.729 18.638 12.612 1.00 52.23 H new ATOM 0 HB3 SER A 34 -7.220 18.249 10.976 1.00 52.23 H new ATOM 0 HG SER A 34 -5.730 20.025 11.047 1.00 12.45 H new ATOM 461 N TRP A 35 -9.583 17.078 12.754 1.00 24.23 N ATOM 462 CA TRP A 35 -10.025 16.032 13.670 1.00 40.30 C ATOM 463 C TRP A 35 -9.153 14.788 13.538 1.00 54.41 C ATOM 464 O TRP A 35 -8.961 14.264 12.440 1.00 45.52 O ATOM 465 CB TRP A 35 -11.488 15.675 13.401 1.00 32.51 C ATOM 466 CG TRP A 35 -11.754 15.289 11.977 1.00 40.33 C ATOM 467 CD1 TRP A 35 -11.949 16.135 10.923 1.00 55.24 C ATOM 468 CD2 TRP A 35 -11.854 13.962 11.453 1.00 2.15 C ATOM 469 NE1 TRP A 35 -12.166 15.413 9.775 1.00 13.50 N ATOM 470 CE2 TRP A 35 -12.112 14.077 10.073 1.00 3.52 C ATOM 471 CE3 TRP A 35 -11.751 12.686 12.013 1.00 63.35 C ATOM 472 CZ2 TRP A 35 -12.267 12.965 9.249 1.00 4.14 C ATOM 473 CZ3 TRP A 35 -11.906 11.584 11.195 1.00 21.04 C ATOM 474 CH2 TRP A 35 -12.161 11.729 9.825 1.00 33.31 C ATOM 0 H TRP A 35 -9.622 16.820 11.768 1.00 24.23 H new ATOM 0 HA TRP A 35 -9.932 16.412 14.687 1.00 40.30 H new ATOM 0 HB2 TRP A 35 -11.779 14.852 14.053 1.00 32.51 H new ATOM 0 HB3 TRP A 35 -12.116 16.527 13.662 1.00 32.51 H new ATOM 0 HD1 TRP A 35 -11.935 17.213 10.983 1.00 55.24 H new ATOM 0 HE1 TRP A 35 -12.339 15.808 8.850 1.00 13.50 H new ATOM 0 HE3 TRP A 35 -11.554 12.564 13.068 1.00 63.35 H new ATOM 0 HZ2 TRP A 35 -12.464 13.075 8.193 1.00 4.14 H new ATOM 0 HZ3 TRP A 35 -11.829 10.594 11.619 1.00 21.04 H new ATOM 0 HH2 TRP A 35 -12.276 10.847 9.212 1.00 33.31 H new ATOM 485 N THR A 36 -8.624 14.319 14.664 1.00 14.20 N ATOM 486 CA THR A 36 -7.771 13.138 14.673 1.00 75.53 C ATOM 487 C THR A 36 -8.295 12.089 15.649 1.00 42.44 C ATOM 488 O THR A 36 -8.207 12.258 16.865 1.00 14.31 O ATOM 489 CB THR A 36 -6.321 13.495 15.052 1.00 72.24 C ATOM 490 OG1 THR A 36 -5.908 14.673 14.351 1.00 54.42 O ATOM 491 CG2 THR A 36 -5.378 12.347 14.725 1.00 70.22 C ATOM 0 H THR A 36 -8.772 14.740 15.581 1.00 14.20 H new ATOM 0 HA THR A 36 -7.785 12.730 13.662 1.00 75.53 H new ATOM 0 HB THR A 36 -6.284 13.680 16.126 1.00 72.24 H new ATOM 0 HG1 THR A 36 -4.986 14.895 14.598 1.00 54.42 H new ATOM 0 HG21 THR A 36 -4.360 12.622 15.001 1.00 70.22 H new ATOM 0 HG22 THR A 36 -5.678 11.460 15.282 1.00 70.22 H new ATOM 0 HG23 THR A 36 -5.419 12.135 13.657 1.00 70.22 H new ATOM 499 N VAL A 37 -8.839 11.005 15.107 1.00 24.13 N ATOM 500 CA VAL A 37 -9.377 9.927 15.929 1.00 11.23 C ATOM 501 C VAL A 37 -8.414 8.746 15.983 1.00 23.32 C ATOM 502 O VAL A 37 -8.205 8.057 14.985 1.00 24.23 O ATOM 503 CB VAL A 37 -10.739 9.441 15.399 1.00 14.31 C ATOM 504 CG1 VAL A 37 -10.650 9.119 13.915 1.00 34.32 C ATOM 505 CG2 VAL A 37 -11.217 8.232 16.188 1.00 41.01 C ATOM 0 H VAL A 37 -8.919 10.849 14.102 1.00 24.13 H new ATOM 0 HA VAL A 37 -9.511 10.331 16.933 1.00 11.23 H new ATOM 0 HB VAL A 37 -11.467 10.242 15.529 1.00 14.31 H new ATOM 0 HG11 VAL A 37 -11.621 8.777 13.558 1.00 34.32 H new ATOM 0 HG12 VAL A 37 -10.356 10.013 13.366 1.00 34.32 H new ATOM 0 HG13 VAL A 37 -9.909 8.335 13.757 1.00 34.32 H new ATOM 0 HG21 VAL A 37 -12.181 7.902 15.800 1.00 41.01 H new ATOM 0 HG22 VAL A 37 -10.491 7.424 16.092 1.00 41.01 H new ATOM 0 HG23 VAL A 37 -11.322 8.502 17.239 1.00 41.01 H new ATOM 515 N GLU A 38 -7.831 8.517 17.156 1.00 52.41 N ATOM 516 CA GLU A 38 -6.890 7.419 17.339 1.00 61.42 C ATOM 517 C GLU A 38 -7.227 6.617 18.593 1.00 25.13 C ATOM 518 O GLU A 38 -7.571 7.184 19.631 1.00 14.52 O ATOM 519 CB GLU A 38 -5.459 7.954 17.432 1.00 23.12 C ATOM 520 CG GLU A 38 -5.138 8.603 18.767 1.00 64.24 C ATOM 521 CD GLU A 38 -3.706 9.094 18.848 1.00 10.42 C ATOM 522 OE1 GLU A 38 -3.128 9.415 17.787 1.00 23.20 O ATOM 523 OE2 GLU A 38 -3.162 9.157 19.970 1.00 55.33 O ATOM 0 H GLU A 38 -7.994 9.077 17.993 1.00 52.41 H new ATOM 0 HA GLU A 38 -6.968 6.760 16.475 1.00 61.42 H new ATOM 0 HB2 GLU A 38 -4.762 7.134 17.259 1.00 23.12 H new ATOM 0 HB3 GLU A 38 -5.300 8.682 16.636 1.00 23.12 H new ATOM 0 HG2 GLU A 38 -5.815 9.441 18.931 1.00 64.24 H new ATOM 0 HG3 GLU A 38 -5.318 7.886 19.568 1.00 64.24 H new ATOM 530 N TRP A 39 -7.128 5.297 18.488 1.00 20.21 N ATOM 531 CA TRP A 39 -7.424 4.417 19.613 1.00 14.11 C ATOM 532 C TRP A 39 -6.373 3.318 19.735 1.00 2.14 C ATOM 533 O TRP A 39 -5.522 3.161 18.859 1.00 23.41 O ATOM 534 CB TRP A 39 -8.812 3.796 19.451 1.00 1.10 C ATOM 535 CG TRP A 39 -9.509 4.220 18.193 1.00 14.14 C ATOM 536 CD1 TRP A 39 -10.594 5.043 18.095 1.00 51.22 C ATOM 537 CD2 TRP A 39 -9.169 3.840 16.855 1.00 35.44 C ATOM 538 NE1 TRP A 39 -10.949 5.197 16.776 1.00 61.15 N ATOM 539 CE2 TRP A 39 -10.090 4.469 15.996 1.00 51.32 C ATOM 540 CE3 TRP A 39 -8.175 3.028 16.300 1.00 40.14 C ATOM 541 CZ2 TRP A 39 -10.045 4.312 14.613 1.00 74.11 C ATOM 542 CZ3 TRP A 39 -8.132 2.873 14.928 1.00 1.41 C ATOM 543 CH2 TRP A 39 -9.062 3.512 14.097 1.00 55.53 C ATOM 0 H TRP A 39 -6.845 4.812 17.636 1.00 20.21 H new ATOM 0 HA TRP A 39 -7.406 5.015 20.524 1.00 14.11 H new ATOM 0 HB2 TRP A 39 -8.719 2.710 19.458 1.00 1.10 H new ATOM 0 HB3 TRP A 39 -9.427 4.069 20.308 1.00 1.10 H new ATOM 0 HD1 TRP A 39 -11.099 5.505 18.931 1.00 51.22 H new ATOM 0 HE1 TRP A 39 -11.726 5.762 16.434 1.00 61.15 H new ATOM 0 HE3 TRP A 39 -7.454 2.531 16.932 1.00 40.14 H new ATOM 0 HZ2 TRP A 39 -10.760 4.804 13.971 1.00 74.11 H new ATOM 0 HZ3 TRP A 39 -7.368 2.249 14.488 1.00 1.41 H new ATOM 0 HH2 TRP A 39 -9.002 3.370 13.028 1.00 55.53 H new ATOM 554 N ASP A 40 -6.439 2.561 20.824 1.00 22.31 N ATOM 555 CA ASP A 40 -5.494 1.475 21.059 1.00 11.10 C ATOM 556 C ASP A 40 -6.097 0.133 20.656 1.00 20.33 C ATOM 557 O ASP A 40 -7.208 -0.208 21.064 1.00 3.12 O ATOM 558 CB ASP A 40 -5.079 1.441 22.530 1.00 50.05 C ATOM 559 CG ASP A 40 -4.435 2.737 22.980 1.00 31.20 C ATOM 560 OD1 ASP A 40 -5.103 3.789 22.905 1.00 11.44 O ATOM 561 OD2 ASP A 40 -3.262 2.700 23.408 1.00 22.01 O ATOM 0 H ASP A 40 -7.137 2.679 21.558 1.00 22.31 H new ATOM 0 HA ASP A 40 -4.612 1.655 20.445 1.00 11.10 H new ATOM 0 HB2 ASP A 40 -5.955 1.241 23.147 1.00 50.05 H new ATOM 0 HB3 ASP A 40 -4.382 0.618 22.689 1.00 50.05 H new ATOM 566 N PHE A 41 -5.357 -0.625 19.853 1.00 25.13 N ATOM 567 CA PHE A 41 -5.821 -1.929 19.393 1.00 14.23 C ATOM 568 C PHE A 41 -4.961 -3.047 19.975 1.00 23.35 C ATOM 569 O PHE A 41 -4.119 -3.635 19.296 1.00 23.55 O ATOM 570 CB PHE A 41 -5.793 -1.993 17.864 1.00 24.11 C ATOM 571 CG PHE A 41 -7.102 -1.626 17.226 1.00 42.31 C ATOM 572 CD1 PHE A 41 -8.290 -2.173 17.685 1.00 2.34 C ATOM 573 CD2 PHE A 41 -7.145 -0.733 16.166 1.00 14.25 C ATOM 574 CE1 PHE A 41 -9.496 -1.836 17.099 1.00 64.34 C ATOM 575 CE2 PHE A 41 -8.348 -0.393 15.577 1.00 22.35 C ATOM 576 CZ PHE A 41 -9.525 -0.946 16.043 1.00 33.11 C ATOM 0 H PHE A 41 -4.435 -0.359 19.508 1.00 25.13 H new ATOM 0 HA PHE A 41 -6.846 -2.065 19.737 1.00 14.23 H new ATOM 0 HB2 PHE A 41 -5.017 -1.323 17.494 1.00 24.11 H new ATOM 0 HB3 PHE A 41 -5.517 -3.001 17.555 1.00 24.11 H new ATOM 0 HD1 PHE A 41 -8.273 -2.870 18.510 1.00 2.34 H new ATOM 0 HD2 PHE A 41 -6.228 -0.298 15.797 1.00 14.25 H new ATOM 0 HE1 PHE A 41 -10.415 -2.268 17.467 1.00 64.34 H new ATOM 0 HE2 PHE A 41 -8.368 0.305 14.753 1.00 22.35 H new ATOM 0 HZ PHE A 41 -10.466 -0.683 15.583 1.00 33.11 H new ATOM 586 N PRO A 42 -5.177 -3.348 21.264 1.00 22.43 N ATOM 587 CA PRO A 42 -4.432 -4.397 21.968 1.00 25.41 C ATOM 588 C PRO A 42 -4.798 -5.794 21.479 1.00 22.33 C ATOM 589 O PRO A 42 -3.923 -6.603 21.165 1.00 24.22 O ATOM 590 CB PRO A 42 -4.855 -4.213 23.428 1.00 11.12 C ATOM 591 CG PRO A 42 -6.194 -3.565 23.356 1.00 51.13 C ATOM 592 CD PRO A 42 -6.164 -2.688 22.135 1.00 3.45 C ATOM 0 HA PRO A 42 -3.357 -4.312 21.808 1.00 25.41 H new ATOM 0 HB2 PRO A 42 -4.906 -5.169 23.949 1.00 11.12 H new ATOM 0 HB3 PRO A 42 -4.143 -3.591 23.971 1.00 11.12 H new ATOM 0 HG2 PRO A 42 -6.985 -4.311 23.281 1.00 51.13 H new ATOM 0 HG3 PRO A 42 -6.393 -2.979 24.253 1.00 51.13 H new ATOM 0 HD2 PRO A 42 -7.143 -2.628 21.659 1.00 3.45 H new ATOM 0 HD3 PRO A 42 -5.866 -1.669 22.380 1.00 3.45 H new ATOM 600 N THR A 43 -6.096 -6.073 21.416 1.00 24.22 N ATOM 601 CA THR A 43 -6.578 -7.373 20.966 1.00 21.24 C ATOM 602 C THR A 43 -6.367 -7.549 19.467 1.00 45.25 C ATOM 603 O THR A 43 -6.475 -6.593 18.699 1.00 53.43 O ATOM 604 CB THR A 43 -8.073 -7.561 21.289 1.00 34.22 C ATOM 605 OG1 THR A 43 -8.736 -6.293 21.294 1.00 53.10 O ATOM 606 CG2 THR A 43 -8.253 -8.239 22.639 1.00 31.15 C ATOM 0 H THR A 43 -6.833 -5.416 21.671 1.00 24.22 H new ATOM 0 HA THR A 43 -6.001 -8.127 21.502 1.00 21.24 H new ATOM 0 HB THR A 43 -8.512 -8.196 20.520 1.00 34.22 H new ATOM 0 HG1 THR A 43 -9.686 -6.421 21.498 1.00 53.10 H new ATOM 0 HG21 THR A 43 -9.316 -8.361 22.846 1.00 31.15 H new ATOM 0 HG22 THR A 43 -7.772 -9.217 22.622 1.00 31.15 H new ATOM 0 HG23 THR A 43 -7.800 -7.625 23.418 1.00 31.15 H new ATOM 614 N GLY A 44 -6.068 -8.778 19.055 1.00 43.41 N ATOM 615 CA GLY A 44 -5.849 -9.055 17.647 1.00 73.44 C ATOM 616 C GLY A 44 -6.761 -8.246 16.748 1.00 53.33 C ATOM 617 O GLY A 44 -7.929 -8.590 16.563 1.00 40.11 O ATOM 0 H GLY A 44 -5.974 -9.586 19.671 1.00 43.41 H new ATOM 0 HA2 GLY A 44 -4.811 -8.839 17.395 1.00 73.44 H new ATOM 0 HA3 GLY A 44 -6.008 -10.117 17.460 1.00 73.44 H new ATOM 621 N THR A 45 -6.229 -7.164 16.186 1.00 74.33 N ATOM 622 CA THR A 45 -7.003 -6.302 15.303 1.00 62.13 C ATOM 623 C THR A 45 -6.097 -5.552 14.333 1.00 10.33 C ATOM 624 O THR A 45 -4.914 -5.346 14.605 1.00 45.03 O ATOM 625 CB THR A 45 -7.836 -5.282 16.102 1.00 73.42 C ATOM 626 OG1 THR A 45 -7.030 -4.686 17.125 1.00 62.40 O ATOM 627 CG2 THR A 45 -9.051 -5.948 16.729 1.00 74.35 C ATOM 0 H THR A 45 -5.264 -6.865 16.328 1.00 74.33 H new ATOM 0 HA THR A 45 -7.676 -6.949 14.741 1.00 62.13 H new ATOM 0 HB THR A 45 -8.180 -4.509 15.415 1.00 73.42 H new ATOM 0 HG1 THR A 45 -7.553 -4.007 17.600 1.00 62.40 H new ATOM 0 HG21 THR A 45 -9.624 -5.208 17.288 1.00 74.35 H new ATOM 0 HG22 THR A 45 -9.677 -6.375 15.945 1.00 74.35 H new ATOM 0 HG23 THR A 45 -8.724 -6.739 17.404 1.00 74.35 H new ATOM 635 N LYS A 46 -6.659 -5.146 13.199 1.00 71.02 N ATOM 636 CA LYS A 46 -5.903 -4.417 12.189 1.00 54.32 C ATOM 637 C LYS A 46 -6.818 -3.935 11.067 1.00 55.24 C ATOM 638 O LYS A 46 -7.608 -4.706 10.523 1.00 13.54 O ATOM 639 CB LYS A 46 -4.795 -5.302 11.613 1.00 33.25 C ATOM 640 CG LYS A 46 -5.282 -6.668 11.161 1.00 35.42 C ATOM 641 CD LYS A 46 -4.197 -7.429 10.416 1.00 44.44 C ATOM 642 CE LYS A 46 -3.031 -7.773 11.328 1.00 54.34 C ATOM 643 NZ LYS A 46 -2.000 -8.588 10.627 1.00 11.34 N ATOM 0 H LYS A 46 -7.636 -5.310 12.957 1.00 71.02 H new ATOM 0 HA LYS A 46 -5.453 -3.547 12.667 1.00 54.32 H new ATOM 0 HB2 LYS A 46 -4.336 -4.791 10.767 1.00 33.25 H new ATOM 0 HB3 LYS A 46 -4.018 -5.433 12.366 1.00 33.25 H new ATOM 0 HG2 LYS A 46 -5.603 -7.246 12.028 1.00 35.42 H new ATOM 0 HG3 LYS A 46 -6.153 -6.550 10.516 1.00 35.42 H new ATOM 0 HD2 LYS A 46 -4.615 -8.344 9.998 1.00 44.44 H new ATOM 0 HD3 LYS A 46 -3.840 -6.830 9.578 1.00 44.44 H new ATOM 0 HE2 LYS A 46 -2.577 -6.854 11.699 1.00 54.34 H new ATOM 0 HE3 LYS A 46 -3.398 -8.320 12.196 1.00 54.34 H new ATOM 0 HZ1 LYS A 46 -1.222 -8.802 11.283 1.00 11.34 H new ATOM 0 HZ2 LYS A 46 -2.427 -9.476 10.295 1.00 11.34 H new ATOM 0 HZ3 LYS A 46 -1.631 -8.056 9.813 1.00 11.34 H new ATOM 657 N VAL A 47 -6.703 -2.656 10.725 1.00 41.42 N ATOM 658 CA VAL A 47 -7.518 -2.073 9.666 1.00 1.42 C ATOM 659 C VAL A 47 -6.877 -2.286 8.298 1.00 22.11 C ATOM 660 O VAL A 47 -5.824 -1.722 7.999 1.00 4.34 O ATOM 661 CB VAL A 47 -7.733 -0.564 9.889 1.00 63.44 C ATOM 662 CG1 VAL A 47 -8.440 0.057 8.695 1.00 42.45 C ATOM 663 CG2 VAL A 47 -8.520 -0.323 11.169 1.00 42.34 C ATOM 0 H VAL A 47 -6.054 -2.004 11.165 1.00 41.42 H new ATOM 0 HA VAL A 47 -8.483 -2.579 9.695 1.00 1.42 H new ATOM 0 HB VAL A 47 -6.758 -0.087 9.992 1.00 63.44 H new ATOM 0 HG11 VAL A 47 -8.583 1.123 8.871 1.00 42.45 H new ATOM 0 HG12 VAL A 47 -7.835 -0.085 7.800 1.00 42.45 H new ATOM 0 HG13 VAL A 47 -9.410 -0.421 8.557 1.00 42.45 H new ATOM 0 HG21 VAL A 47 -8.663 0.748 11.312 1.00 42.34 H new ATOM 0 HG22 VAL A 47 -9.491 -0.813 11.097 1.00 42.34 H new ATOM 0 HG23 VAL A 47 -7.970 -0.732 12.017 1.00 42.34 H new ATOM 673 N THR A 48 -7.520 -3.104 7.471 1.00 63.14 N ATOM 674 CA THR A 48 -7.014 -3.393 6.135 1.00 43.11 C ATOM 675 C THR A 48 -7.510 -2.365 5.125 1.00 0.20 C ATOM 676 O THR A 48 -6.812 -2.037 4.166 1.00 54.03 O ATOM 677 CB THR A 48 -7.434 -4.799 5.668 1.00 11.11 C ATOM 678 OG1 THR A 48 -6.786 -5.118 4.431 1.00 24.20 O ATOM 679 CG2 THR A 48 -8.943 -4.884 5.493 1.00 0.41 C ATOM 0 H THR A 48 -8.393 -3.578 7.703 1.00 63.14 H new ATOM 0 HA THR A 48 -5.926 -3.347 6.192 1.00 43.11 H new ATOM 0 HB THR A 48 -7.133 -5.516 6.431 1.00 11.11 H new ATOM 0 HG1 THR A 48 -7.057 -6.014 4.141 1.00 24.20 H new ATOM 0 HG21 THR A 48 -9.215 -5.886 5.163 1.00 0.41 H new ATOM 0 HG22 THR A 48 -9.432 -4.670 6.443 1.00 0.41 H new ATOM 0 HG23 THR A 48 -9.264 -4.157 4.747 1.00 0.41 H new ATOM 687 N SER A 49 -8.718 -1.859 5.347 1.00 63.20 N ATOM 688 CA SER A 49 -9.309 -0.870 4.453 1.00 51.54 C ATOM 689 C SER A 49 -9.791 0.349 5.234 1.00 22.51 C ATOM 690 O SER A 49 -10.184 0.239 6.395 1.00 44.11 O ATOM 691 CB SER A 49 -10.474 -1.485 3.675 1.00 41.43 C ATOM 692 OG SER A 49 -10.280 -1.354 2.278 1.00 11.22 O ATOM 0 H SER A 49 -9.307 -2.117 6.138 1.00 63.20 H new ATOM 0 HA SER A 49 -8.541 -0.549 3.749 1.00 51.54 H new ATOM 0 HB2 SER A 49 -10.572 -2.539 3.934 1.00 41.43 H new ATOM 0 HB3 SER A 49 -11.405 -0.998 3.963 1.00 41.43 H new ATOM 0 HG SER A 49 -11.037 -1.756 1.803 1.00 11.22 H new ATOM 698 N ALA A 50 -9.757 1.510 4.588 1.00 22.20 N ATOM 699 CA ALA A 50 -10.192 2.749 5.220 1.00 35.23 C ATOM 700 C ALA A 50 -10.469 3.828 4.180 1.00 4.43 C ATOM 701 O ALA A 50 -9.670 4.045 3.267 1.00 74.34 O ATOM 702 CB ALA A 50 -9.145 3.229 6.216 1.00 5.43 C ATOM 0 H ALA A 50 -9.433 1.618 3.627 1.00 22.20 H new ATOM 0 HA ALA A 50 -11.121 2.549 5.754 1.00 35.23 H new ATOM 0 HB1 ALA A 50 -9.483 4.155 6.681 1.00 5.43 H new ATOM 0 HB2 ALA A 50 -8.999 2.470 6.984 1.00 5.43 H new ATOM 0 HB3 ALA A 50 -8.203 3.406 5.697 1.00 5.43 H new ATOM 708 N TRP A 51 -11.605 4.502 4.320 1.00 32.02 N ATOM 709 CA TRP A 51 -11.988 5.558 3.391 1.00 13.13 C ATOM 710 C TRP A 51 -12.462 6.798 4.141 1.00 31.51 C ATOM 711 O TRP A 51 -13.038 6.696 5.224 1.00 40.14 O ATOM 712 CB TRP A 51 -13.087 5.064 2.450 1.00 41.01 C ATOM 713 CG TRP A 51 -14.215 4.379 3.161 1.00 53.33 C ATOM 714 CD1 TRP A 51 -15.226 4.975 3.859 1.00 24.23 C ATOM 715 CD2 TRP A 51 -14.443 2.968 3.245 1.00 63.23 C ATOM 716 NE1 TRP A 51 -16.070 4.019 4.371 1.00 74.44 N ATOM 717 CE2 TRP A 51 -15.612 2.780 4.009 1.00 12.10 C ATOM 718 CE3 TRP A 51 -13.775 1.845 2.748 1.00 50.22 C ATOM 719 CZ2 TRP A 51 -16.124 1.515 4.287 1.00 11.42 C ATOM 720 CZ3 TRP A 51 -14.284 0.591 3.025 1.00 23.23 C ATOM 721 CH2 TRP A 51 -15.450 0.434 3.788 1.00 13.12 C ATOM 0 H TRP A 51 -12.277 4.335 5.069 1.00 32.02 H new ATOM 0 HA TRP A 51 -11.110 5.826 2.803 1.00 13.13 H new ATOM 0 HB2 TRP A 51 -13.482 5.911 1.888 1.00 41.01 H new ATOM 0 HB3 TRP A 51 -12.652 4.375 1.725 1.00 41.01 H new ATOM 0 HD1 TRP A 51 -15.345 6.040 3.989 1.00 24.23 H new ATOM 0 HE1 TRP A 51 -16.903 4.202 4.930 1.00 74.44 H new ATOM 0 HE3 TRP A 51 -12.877 1.956 2.158 1.00 50.22 H new ATOM 0 HZ2 TRP A 51 -17.021 1.392 4.876 1.00 11.42 H new ATOM 0 HZ3 TRP A 51 -13.775 -0.284 2.647 1.00 23.23 H new ATOM 0 HH2 TRP A 51 -15.823 -0.560 3.986 1.00 13.12 H new ATOM 732 N ASP A 52 -12.217 7.966 3.559 1.00 43.04 N ATOM 733 CA ASP A 52 -12.620 9.226 4.172 1.00 23.52 C ATOM 734 C ASP A 52 -11.908 9.434 5.505 1.00 11.21 C ATOM 735 O ASP A 52 -12.318 10.264 6.316 1.00 74.42 O ATOM 736 CB ASP A 52 -14.136 9.254 4.380 1.00 51.33 C ATOM 737 CG ASP A 52 -14.901 8.946 3.108 1.00 1.20 C ATOM 738 OD1 ASP A 52 -14.794 7.804 2.613 1.00 55.24 O ATOM 739 OD2 ASP A 52 -15.606 9.846 2.607 1.00 3.24 O ATOM 0 H ASP A 52 -11.741 8.067 2.663 1.00 43.04 H new ATOM 0 HA ASP A 52 -12.338 10.036 3.499 1.00 23.52 H new ATOM 0 HB2 ASP A 52 -14.408 8.530 5.148 1.00 51.33 H new ATOM 0 HB3 ASP A 52 -14.431 10.236 4.749 1.00 51.33 H new ATOM 744 N ALA A 53 -10.841 8.674 5.725 1.00 13.42 N ATOM 745 CA ALA A 53 -10.071 8.775 6.958 1.00 51.33 C ATOM 746 C ALA A 53 -8.808 7.924 6.889 1.00 13.32 C ATOM 747 O ALA A 53 -8.838 6.724 7.165 1.00 40.21 O ATOM 748 CB ALA A 53 -10.924 8.362 8.149 1.00 12.44 C ATOM 0 H ALA A 53 -10.490 7.981 5.064 1.00 13.42 H new ATOM 0 HA ALA A 53 -9.770 9.815 7.084 1.00 51.33 H new ATOM 0 HB1 ALA A 53 -10.336 8.442 9.063 1.00 12.44 H new ATOM 0 HB2 ALA A 53 -11.793 9.016 8.218 1.00 12.44 H new ATOM 0 HB3 ALA A 53 -11.255 7.331 8.020 1.00 12.44 H new ATOM 754 N THR A 54 -7.696 8.552 6.517 1.00 13.34 N ATOM 755 CA THR A 54 -6.422 7.851 6.409 1.00 4.04 C ATOM 756 C THR A 54 -6.059 7.167 7.722 1.00 21.03 C ATOM 757 O THR A 54 -5.560 7.805 8.649 1.00 24.33 O ATOM 758 CB THR A 54 -5.286 8.810 6.011 1.00 53.45 C ATOM 759 OG1 THR A 54 -5.682 9.598 4.883 1.00 41.25 O ATOM 760 CG2 THR A 54 -4.017 8.039 5.677 1.00 23.23 C ATOM 0 H THR A 54 -7.652 9.544 6.286 1.00 13.34 H new ATOM 0 HA THR A 54 -6.540 7.097 5.630 1.00 4.04 H new ATOM 0 HB THR A 54 -5.081 9.465 6.858 1.00 53.45 H new ATOM 0 HG1 THR A 54 -4.954 10.207 4.637 1.00 41.25 H new ATOM 0 HG21 THR A 54 -3.229 8.739 5.399 1.00 23.23 H new ATOM 0 HG22 THR A 54 -3.701 7.464 6.547 1.00 23.23 H new ATOM 0 HG23 THR A 54 -4.211 7.362 4.845 1.00 23.23 H new ATOM 768 N VAL A 55 -6.311 5.864 7.794 1.00 14.04 N ATOM 769 CA VAL A 55 -6.008 5.091 8.993 1.00 41.44 C ATOM 770 C VAL A 55 -4.608 4.493 8.921 1.00 74.11 C ATOM 771 O VAL A 55 -4.275 3.773 7.979 1.00 32.44 O ATOM 772 CB VAL A 55 -7.029 3.958 9.203 1.00 62.34 C ATOM 773 CG1 VAL A 55 -6.651 3.117 10.413 1.00 51.14 C ATOM 774 CG2 VAL A 55 -8.432 4.527 9.357 1.00 35.24 C ATOM 0 H VAL A 55 -6.724 5.321 7.036 1.00 14.04 H new ATOM 0 HA VAL A 55 -6.063 5.779 9.836 1.00 41.44 H new ATOM 0 HB VAL A 55 -7.017 3.314 8.324 1.00 62.34 H new ATOM 0 HG11 VAL A 55 -7.384 2.321 10.546 1.00 51.14 H new ATOM 0 HG12 VAL A 55 -5.665 2.680 10.258 1.00 51.14 H new ATOM 0 HG13 VAL A 55 -6.634 3.747 11.303 1.00 51.14 H new ATOM 0 HG21 VAL A 55 -9.141 3.712 9.505 1.00 35.24 H new ATOM 0 HG22 VAL A 55 -8.462 5.194 10.218 1.00 35.24 H new ATOM 0 HG23 VAL A 55 -8.700 5.083 8.458 1.00 35.24 H new ATOM 784 N THR A 56 -3.789 4.793 9.925 1.00 42.12 N ATOM 785 CA THR A 56 -2.424 4.286 9.976 1.00 75.24 C ATOM 786 C THR A 56 -2.226 3.362 11.173 1.00 52.21 C ATOM 787 O THR A 56 -3.103 3.240 12.027 1.00 0.44 O ATOM 788 CB THR A 56 -1.400 5.434 10.055 1.00 12.24 C ATOM 789 OG1 THR A 56 -0.073 4.918 9.906 1.00 33.43 O ATOM 790 CG2 THR A 56 -1.517 6.175 11.378 1.00 71.10 C ATOM 0 H THR A 56 -4.048 5.385 10.714 1.00 42.12 H new ATOM 0 HA THR A 56 -2.261 3.726 9.055 1.00 75.24 H new ATOM 0 HB THR A 56 -1.610 6.134 9.246 1.00 12.24 H new ATOM 0 HG1 THR A 56 0.572 5.654 9.956 1.00 33.43 H new ATOM 0 HG21 THR A 56 -0.784 6.981 11.410 1.00 71.10 H new ATOM 0 HG22 THR A 56 -2.519 6.592 11.474 1.00 71.10 H new ATOM 0 HG23 THR A 56 -1.332 5.483 12.200 1.00 71.10 H new ATOM 798 N ASN A 57 -1.067 2.713 11.228 1.00 11.35 N ATOM 799 CA ASN A 57 -0.754 1.799 12.321 1.00 1.42 C ATOM 800 C ASN A 57 0.651 2.056 12.859 1.00 4.13 C ATOM 801 O ASN A 57 1.517 2.561 12.145 1.00 63.35 O ATOM 802 CB ASN A 57 -0.875 0.348 11.851 1.00 13.52 C ATOM 803 CG ASN A 57 0.399 -0.156 11.199 1.00 1.01 C ATOM 804 OD1 ASN A 57 0.793 0.317 10.133 1.00 52.35 O ATOM 805 ND2 ASN A 57 1.047 -1.122 11.838 1.00 72.22 N ATOM 0 H ASN A 57 -0.330 2.803 10.529 1.00 11.35 H new ATOM 0 HA ASN A 57 -1.469 1.974 13.124 1.00 1.42 H new ATOM 0 HB2 ASN A 57 -1.121 -0.288 12.702 1.00 13.52 H new ATOM 0 HB3 ASN A 57 -1.700 0.266 11.143 1.00 13.52 H new ATOM 0 HD21 ASN A 57 1.909 -1.503 11.448 1.00 72.22 H new ATOM 0 HD22 ASN A 57 0.683 -1.484 12.720 1.00 72.22 H new ATOM 812 N SER A 58 0.868 1.703 14.122 1.00 61.20 N ATOM 813 CA SER A 58 2.165 1.899 14.757 1.00 34.32 C ATOM 814 C SER A 58 2.319 0.986 15.971 1.00 23.45 C ATOM 815 O SER A 58 2.042 1.386 17.100 1.00 21.52 O ATOM 816 CB SER A 58 2.337 3.359 15.178 1.00 72.32 C ATOM 817 OG SER A 58 2.580 4.189 14.056 1.00 24.42 O ATOM 0 H SER A 58 0.162 1.280 14.725 1.00 61.20 H new ATOM 0 HA SER A 58 2.938 1.645 14.032 1.00 34.32 H new ATOM 0 HB2 SER A 58 1.441 3.699 15.698 1.00 72.32 H new ATOM 0 HB3 SER A 58 3.165 3.442 15.882 1.00 72.32 H new ATOM 0 HG SER A 58 2.386 3.693 13.234 1.00 24.42 H new ATOM 823 N GLY A 59 2.763 -0.243 15.726 1.00 24.41 N ATOM 824 CA GLY A 59 2.945 -1.195 16.807 1.00 70.24 C ATOM 825 C GLY A 59 1.631 -1.743 17.326 1.00 43.10 C ATOM 826 O GLY A 59 1.108 -2.723 16.797 1.00 21.42 O ATOM 0 H GLY A 59 3.000 -0.596 14.799 1.00 24.41 H new ATOM 0 HA2 GLY A 59 3.567 -2.020 16.459 1.00 70.24 H new ATOM 0 HA3 GLY A 59 3.482 -0.713 17.624 1.00 70.24 H new ATOM 830 N ASP A 60 1.096 -1.109 18.364 1.00 72.11 N ATOM 831 CA ASP A 60 -0.165 -1.540 18.955 1.00 64.22 C ATOM 832 C ASP A 60 -1.155 -0.381 19.026 1.00 20.50 C ATOM 833 O ASP A 60 -2.164 -0.454 19.730 1.00 52.01 O ATOM 834 CB ASP A 60 0.071 -2.112 20.353 1.00 64.31 C ATOM 835 CG ASP A 60 0.948 -3.348 20.332 1.00 63.41 C ATOM 836 OD1 ASP A 60 1.027 -4.001 19.271 1.00 21.21 O ATOM 837 OD2 ASP A 60 1.554 -3.664 21.378 1.00 52.44 O ATOM 0 H ASP A 60 1.516 -0.295 18.813 1.00 72.11 H new ATOM 0 HA ASP A 60 -0.588 -2.318 18.320 1.00 64.22 H new ATOM 0 HB2 ASP A 60 0.536 -1.351 20.980 1.00 64.31 H new ATOM 0 HB3 ASP A 60 -0.888 -2.358 20.808 1.00 64.31 H new ATOM 842 N HIS A 61 -0.861 0.689 18.294 1.00 72.53 N ATOM 843 CA HIS A 61 -1.724 1.864 18.275 1.00 21.12 C ATOM 844 C HIS A 61 -2.092 2.244 16.844 1.00 43.21 C ATOM 845 O HIS A 61 -1.299 2.063 15.921 1.00 30.02 O ATOM 846 CB HIS A 61 -1.036 3.040 18.967 1.00 54.21 C ATOM 847 CG HIS A 61 -1.780 4.333 18.833 1.00 61.01 C ATOM 848 ND1 HIS A 61 -2.644 4.808 19.798 1.00 55.55 N ATOM 849 CD2 HIS A 61 -1.785 5.252 17.840 1.00 44.31 C ATOM 850 CE1 HIS A 61 -3.148 5.963 19.404 1.00 51.41 C ATOM 851 NE2 HIS A 61 -2.643 6.256 18.218 1.00 71.44 N ATOM 0 H HIS A 61 -0.031 0.766 17.706 1.00 72.53 H new ATOM 0 HA HIS A 61 -2.639 1.621 18.815 1.00 21.12 H new ATOM 0 HB2 HIS A 61 -0.915 2.808 20.025 1.00 54.21 H new ATOM 0 HB3 HIS A 61 -0.036 3.161 18.551 1.00 54.21 H new ATOM 0 HD2 HIS A 61 -1.220 5.205 16.921 1.00 44.31 H new ATOM 0 HE1 HIS A 61 -3.853 6.566 19.957 1.00 51.41 H new ATOM 0 HE2 HIS A 61 -2.856 7.091 17.673 1.00 71.44 H new ATOM 859 N TRP A 62 -3.298 2.771 16.669 1.00 63.41 N ATOM 860 CA TRP A 62 -3.772 3.177 15.351 1.00 12.54 C ATOM 861 C TRP A 62 -4.364 4.580 15.392 1.00 51.54 C ATOM 862 O TRP A 62 -4.892 5.013 16.417 1.00 61.43 O ATOM 863 CB TRP A 62 -4.815 2.185 14.833 1.00 11.12 C ATOM 864 CG TRP A 62 -4.239 0.844 14.486 1.00 63.05 C ATOM 865 CD1 TRP A 62 -3.707 -0.067 15.353 1.00 4.44 C ATOM 866 CD2 TRP A 62 -4.138 0.267 13.180 1.00 42.33 C ATOM 867 NE1 TRP A 62 -3.280 -1.176 14.663 1.00 5.04 N ATOM 868 CE2 TRP A 62 -3.534 -0.996 13.328 1.00 1.01 C ATOM 869 CE3 TRP A 62 -4.501 0.695 11.900 1.00 34.14 C ATOM 870 CZ2 TRP A 62 -3.285 -1.834 12.245 1.00 1.43 C ATOM 871 CZ3 TRP A 62 -4.252 -0.138 10.825 1.00 64.01 C ATOM 872 CH2 TRP A 62 -3.650 -1.390 11.002 1.00 52.53 C ATOM 0 H TRP A 62 -3.966 2.927 17.424 1.00 63.41 H new ATOM 0 HA TRP A 62 -2.919 3.184 14.673 1.00 12.54 H new ATOM 0 HB2 TRP A 62 -5.589 2.055 15.589 1.00 11.12 H new ATOM 0 HB3 TRP A 62 -5.298 2.604 13.950 1.00 11.12 H new ATOM 0 HD1 TRP A 62 -3.633 0.065 16.422 1.00 4.44 H new ATOM 0 HE1 TRP A 62 -2.844 -2.000 15.077 1.00 5.04 H new ATOM 0 HE3 TRP A 62 -4.967 1.658 11.753 1.00 34.14 H new ATOM 0 HZ2 TRP A 62 -2.821 -2.800 12.380 1.00 1.43 H new ATOM 0 HZ3 TRP A 62 -4.527 0.183 9.831 1.00 64.01 H new ATOM 0 HH2 TRP A 62 -3.470 -2.017 10.142 1.00 52.53 H new ATOM 883 N THR A 63 -4.273 5.291 14.271 1.00 24.54 N ATOM 884 CA THR A 63 -4.800 6.646 14.180 1.00 64.45 C ATOM 885 C THR A 63 -5.474 6.886 12.835 1.00 25.31 C ATOM 886 O THR A 63 -5.068 6.324 11.818 1.00 71.11 O ATOM 887 CB THR A 63 -3.689 7.694 14.380 1.00 51.02 C ATOM 888 OG1 THR A 63 -3.038 7.486 15.638 1.00 21.24 O ATOM 889 CG2 THR A 63 -4.259 9.104 14.325 1.00 21.33 C ATOM 0 H THR A 63 -3.839 4.949 13.414 1.00 24.54 H new ATOM 0 HA THR A 63 -5.538 6.752 14.975 1.00 64.45 H new ATOM 0 HB THR A 63 -2.964 7.580 13.574 1.00 51.02 H new ATOM 0 HG1 THR A 63 -3.070 8.312 16.164 1.00 21.24 H new ATOM 0 HG21 THR A 63 -3.456 9.827 14.469 1.00 21.33 H new ATOM 0 HG22 THR A 63 -4.727 9.270 13.355 1.00 21.33 H new ATOM 0 HG23 THR A 63 -5.003 9.227 15.112 1.00 21.33 H new ATOM 897 N ALA A 64 -6.506 7.724 12.835 1.00 73.32 N ATOM 898 CA ALA A 64 -7.234 8.040 11.613 1.00 71.23 C ATOM 899 C ALA A 64 -7.269 9.544 11.368 1.00 73.03 C ATOM 900 O ALA A 64 -7.660 10.317 12.242 1.00 44.02 O ATOM 901 CB ALA A 64 -8.648 7.482 11.682 1.00 74.11 C ATOM 0 H ALA A 64 -6.856 8.196 13.668 1.00 73.32 H new ATOM 0 HA ALA A 64 -6.711 7.574 10.778 1.00 71.23 H new ATOM 0 HB1 ALA A 64 -9.180 7.725 10.763 1.00 74.11 H new ATOM 0 HB2 ALA A 64 -8.606 6.399 11.802 1.00 74.11 H new ATOM 0 HB3 ALA A 64 -9.171 7.921 12.531 1.00 74.11 H new ATOM 907 N LYS A 65 -6.857 9.955 10.173 1.00 14.14 N ATOM 908 CA LYS A 65 -6.841 11.367 9.811 1.00 34.42 C ATOM 909 C LYS A 65 -7.277 11.562 8.363 1.00 23.22 C ATOM 910 O LYS A 65 -6.721 10.953 7.450 1.00 23.21 O ATOM 911 CB LYS A 65 -5.442 11.951 10.018 1.00 12.43 C ATOM 912 CG LYS A 65 -4.706 11.363 11.208 1.00 33.51 C ATOM 913 CD LYS A 65 -3.911 10.127 10.818 1.00 61.03 C ATOM 914 CE LYS A 65 -2.509 10.157 11.407 1.00 12.53 C ATOM 915 NZ LYS A 65 -1.570 10.946 10.561 1.00 33.22 N ATOM 0 H LYS A 65 -6.529 9.328 9.438 1.00 14.14 H new ATOM 0 HA LYS A 65 -7.546 11.891 10.457 1.00 34.42 H new ATOM 0 HB2 LYS A 65 -4.851 11.784 9.118 1.00 12.43 H new ATOM 0 HB3 LYS A 65 -5.524 13.030 10.150 1.00 12.43 H new ATOM 0 HG2 LYS A 65 -4.034 12.112 11.627 1.00 33.51 H new ATOM 0 HG3 LYS A 65 -5.422 11.105 11.988 1.00 33.51 H new ATOM 0 HD2 LYS A 65 -4.432 9.234 11.163 1.00 61.03 H new ATOM 0 HD3 LYS A 65 -3.849 10.061 9.732 1.00 61.03 H new ATOM 0 HE2 LYS A 65 -2.545 10.586 12.408 1.00 12.53 H new ATOM 0 HE3 LYS A 65 -2.136 9.138 11.510 1.00 12.53 H new ATOM 0 HZ1 LYS A 65 -0.625 10.943 10.996 1.00 33.22 H new ATOM 0 HZ2 LYS A 65 -1.517 10.522 9.613 1.00 33.22 H new ATOM 0 HZ3 LYS A 65 -1.912 11.925 10.483 1.00 33.22 H new ATOM 929 N ASN A 66 -8.274 12.418 8.160 1.00 30.33 N ATOM 930 CA ASN A 66 -8.784 12.694 6.822 1.00 54.24 C ATOM 931 C ASN A 66 -8.338 14.073 6.345 1.00 4.55 C ATOM 932 O ASN A 66 -7.894 14.234 5.208 1.00 55.52 O ATOM 933 CB ASN A 66 -10.311 12.606 6.808 1.00 4.05 C ATOM 934 CG ASN A 66 -10.869 12.466 5.404 1.00 73.12 C ATOM 935 OD1 ASN A 66 -10.349 11.701 4.592 1.00 15.43 O ATOM 936 ND2 ASN A 66 -11.932 13.205 5.113 1.00 73.43 N ATOM 0 H ASN A 66 -8.744 12.932 8.905 1.00 30.33 H new ATOM 0 HA ASN A 66 -8.378 11.945 6.143 1.00 54.24 H new ATOM 0 HB2 ASN A 66 -10.629 11.754 7.409 1.00 4.05 H new ATOM 0 HB3 ASN A 66 -10.728 13.498 7.275 1.00 4.05 H new ATOM 0 HD21 ASN A 66 -12.351 13.152 4.185 1.00 73.43 H new ATOM 0 HD22 ASN A 66 -12.330 13.826 5.818 1.00 73.43 H new ATOM 943 N VAL A 67 -8.459 15.065 7.221 1.00 73.25 N ATOM 944 CA VAL A 67 -8.068 16.430 6.890 1.00 55.13 C ATOM 945 C VAL A 67 -6.628 16.706 7.312 1.00 2.02 C ATOM 946 O VAL A 67 -6.310 17.790 7.799 1.00 24.10 O ATOM 947 CB VAL A 67 -8.994 17.459 7.564 1.00 22.14 C ATOM 948 CG1 VAL A 67 -10.370 17.444 6.915 1.00 20.34 C ATOM 949 CG2 VAL A 67 -9.097 17.185 9.057 1.00 20.42 C ATOM 0 H VAL A 67 -8.825 14.949 8.166 1.00 73.25 H new ATOM 0 HA VAL A 67 -8.153 16.530 5.808 1.00 55.13 H new ATOM 0 HB VAL A 67 -8.565 18.452 7.429 1.00 22.14 H new ATOM 0 HG11 VAL A 67 -11.011 18.177 7.404 1.00 20.34 H new ATOM 0 HG12 VAL A 67 -10.276 17.692 5.858 1.00 20.34 H new ATOM 0 HG13 VAL A 67 -10.810 16.452 7.018 1.00 20.34 H new ATOM 0 HG21 VAL A 67 -9.755 17.922 9.518 1.00 20.42 H new ATOM 0 HG22 VAL A 67 -9.503 16.186 9.216 1.00 20.42 H new ATOM 0 HG23 VAL A 67 -8.107 17.251 9.508 1.00 20.42 H new ATOM 959 N GLY A 68 -5.761 15.717 7.120 1.00 34.21 N ATOM 960 CA GLY A 68 -4.365 15.873 7.485 1.00 32.50 C ATOM 961 C GLY A 68 -3.598 16.726 6.494 1.00 2.00 C ATOM 962 O GLY A 68 -2.403 16.964 6.665 1.00 41.14 O ATOM 0 H GLY A 68 -6.000 14.810 6.718 1.00 34.21 H new ATOM 0 HA2 GLY A 68 -4.300 16.324 8.475 1.00 32.50 H new ATOM 0 HA3 GLY A 68 -3.898 14.890 7.551 1.00 32.50 H new ATOM 966 N TRP A 69 -4.287 17.186 5.456 1.00 32.42 N ATOM 967 CA TRP A 69 -3.662 18.016 4.433 1.00 43.23 C ATOM 968 C TRP A 69 -4.267 19.416 4.424 1.00 23.01 C ATOM 969 O TRP A 69 -3.578 20.398 4.152 1.00 43.24 O ATOM 970 CB TRP A 69 -3.820 17.371 3.055 1.00 64.41 C ATOM 971 CG TRP A 69 -5.100 16.606 2.902 1.00 24.12 C ATOM 972 CD1 TRP A 69 -5.307 15.287 3.193 1.00 2.35 C ATOM 973 CD2 TRP A 69 -6.350 17.112 2.419 1.00 53.12 C ATOM 974 NE1 TRP A 69 -6.609 14.944 2.919 1.00 35.30 N ATOM 975 CE2 TRP A 69 -7.269 16.046 2.445 1.00 44.11 C ATOM 976 CE3 TRP A 69 -6.781 18.363 1.970 1.00 13.23 C ATOM 977 CZ2 TRP A 69 -8.592 16.195 2.037 1.00 22.24 C ATOM 978 CZ3 TRP A 69 -8.093 18.509 1.564 1.00 70.45 C ATOM 979 CH2 TRP A 69 -8.987 17.431 1.601 1.00 31.12 C ATOM 0 H TRP A 69 -5.278 16.999 5.301 1.00 32.42 H new ATOM 0 HA TRP A 69 -2.601 18.099 4.667 1.00 43.23 H new ATOM 0 HB2 TRP A 69 -3.775 18.147 2.291 1.00 64.41 H new ATOM 0 HB3 TRP A 69 -2.980 16.700 2.877 1.00 64.41 H new ATOM 0 HD1 TRP A 69 -4.557 14.613 3.581 1.00 2.35 H new ATOM 0 HE1 TRP A 69 -7.018 14.018 3.048 1.00 35.30 H new ATOM 0 HE3 TRP A 69 -6.100 19.201 1.941 1.00 13.23 H new ATOM 0 HZ2 TRP A 69 -9.282 15.365 2.064 1.00 22.24 H new ATOM 0 HZ3 TRP A 69 -8.436 19.471 1.212 1.00 70.45 H new ATOM 0 HH2 TRP A 69 -10.007 17.578 1.279 1.00 31.12 H new ATOM 990 N ASN A 70 -5.559 19.500 4.723 1.00 63.35 N ATOM 991 CA ASN A 70 -6.257 20.781 4.749 1.00 73.21 C ATOM 992 C ASN A 70 -6.402 21.293 6.179 1.00 14.22 C ATOM 993 O ASN A 70 -6.108 22.453 6.467 1.00 35.25 O ATOM 994 CB ASN A 70 -7.636 20.647 4.102 1.00 0.12 C ATOM 995 CG ASN A 70 -7.711 21.335 2.752 1.00 71.52 C ATOM 996 OD1 ASN A 70 -6.689 21.569 2.105 1.00 23.43 O ATOM 997 ND2 ASN A 70 -8.923 21.662 2.321 1.00 11.21 N ATOM 0 H ASN A 70 -6.144 18.696 4.951 1.00 63.35 H new ATOM 0 HA ASN A 70 -5.665 21.500 4.183 1.00 73.21 H new ATOM 0 HB2 ASN A 70 -7.877 19.591 3.982 1.00 0.12 H new ATOM 0 HB3 ASN A 70 -8.389 21.072 4.766 1.00 0.12 H new ATOM 0 HD21 ASN A 70 -9.036 22.127 1.420 1.00 11.21 H new ATOM 0 HD22 ASN A 70 -9.742 21.449 2.891 1.00 11.21 H new ATOM 1004 N GLY A 71 -6.855 20.418 7.072 1.00 13.30 N ATOM 1005 CA GLY A 71 -7.030 20.799 8.461 1.00 71.20 C ATOM 1006 C GLY A 71 -7.984 21.965 8.627 1.00 5.02 C ATOM 1007 O GLY A 71 -7.655 22.961 9.272 1.00 55.20 O ATOM 0 H GLY A 71 -7.104 19.452 6.858 1.00 13.30 H new ATOM 0 HA2 GLY A 71 -7.404 19.944 9.024 1.00 71.20 H new ATOM 0 HA3 GLY A 71 -6.062 21.062 8.887 1.00 71.20 H new ATOM 1011 N THR A 72 -9.172 21.844 8.040 1.00 71.35 N ATOM 1012 CA THR A 72 -10.176 22.898 8.124 1.00 1.44 C ATOM 1013 C THR A 72 -11.489 22.362 8.680 1.00 70.44 C ATOM 1014 O THR A 72 -12.121 21.491 8.082 1.00 13.23 O ATOM 1015 CB THR A 72 -10.438 23.534 6.745 1.00 54.23 C ATOM 1016 OG1 THR A 72 -11.249 22.663 5.950 1.00 32.21 O ATOM 1017 CG2 THR A 72 -9.128 23.817 6.023 1.00 24.52 C ATOM 0 H THR A 72 -9.462 21.027 7.502 1.00 71.35 H new ATOM 0 HA THR A 72 -9.782 23.658 8.798 1.00 1.44 H new ATOM 0 HB THR A 72 -10.962 24.478 6.897 1.00 54.23 H new ATOM 0 HG1 THR A 72 -11.510 21.883 6.482 1.00 32.21 H new ATOM 0 HG21 THR A 72 -9.337 24.266 5.052 1.00 24.52 H new ATOM 0 HG22 THR A 72 -8.526 24.504 6.618 1.00 24.52 H new ATOM 0 HG23 THR A 72 -8.582 22.884 5.882 1.00 24.52 H new ATOM 1025 N LEU A 73 -11.897 22.889 9.831 1.00 2.34 N ATOM 1026 CA LEU A 73 -13.139 22.463 10.469 1.00 13.31 C ATOM 1027 C LEU A 73 -13.860 23.650 11.101 1.00 2.42 C ATOM 1028 O LEU A 73 -13.258 24.694 11.349 1.00 1.41 O ATOM 1029 CB LEU A 73 -12.850 21.403 11.533 1.00 33.22 C ATOM 1030 CG LEU A 73 -14.002 20.454 11.863 1.00 32.35 C ATOM 1031 CD1 LEU A 73 -13.723 19.063 11.314 1.00 61.31 C ATOM 1032 CD2 LEU A 73 -14.233 20.398 13.366 1.00 65.12 C ATOM 0 H LEU A 73 -11.387 23.611 10.340 1.00 2.34 H new ATOM 0 HA LEU A 73 -13.785 22.034 9.703 1.00 13.31 H new ATOM 0 HB2 LEU A 73 -11.998 20.808 11.203 1.00 33.22 H new ATOM 0 HB3 LEU A 73 -12.549 21.910 12.450 1.00 33.22 H new ATOM 0 HG LEU A 73 -14.907 20.835 11.389 1.00 32.35 H new ATOM 0 HD11 LEU A 73 -14.554 18.402 11.559 1.00 61.31 H new ATOM 0 HD12 LEU A 73 -13.608 19.115 10.231 1.00 61.31 H new ATOM 0 HD13 LEU A 73 -12.807 18.674 11.758 1.00 61.31 H new ATOM 0 HD21 LEU A 73 -15.057 19.718 13.582 1.00 65.12 H new ATOM 0 HD22 LEU A 73 -13.329 20.042 13.860 1.00 65.12 H new ATOM 0 HD23 LEU A 73 -14.479 21.394 13.734 1.00 65.12 H new ATOM 1044 N ALA A 74 -15.152 23.480 11.359 1.00 23.02 N ATOM 1045 CA ALA A 74 -15.954 24.535 11.966 1.00 24.35 C ATOM 1046 C ALA A 74 -16.209 24.252 13.442 1.00 21.35 C ATOM 1047 O ALA A 74 -16.035 23.131 13.922 1.00 64.32 O ATOM 1048 CB ALA A 74 -17.273 24.689 11.220 1.00 60.53 C ATOM 0 H ALA A 74 -15.666 22.622 11.157 1.00 23.02 H new ATOM 0 HA ALA A 74 -15.396 25.469 11.894 1.00 24.35 H new ATOM 0 HB1 ALA A 74 -17.863 25.480 11.683 1.00 60.53 H new ATOM 0 HB2 ALA A 74 -17.075 24.946 10.179 1.00 60.53 H new ATOM 0 HB3 ALA A 74 -17.827 23.751 11.263 1.00 60.53 H new ATOM 1054 N PRO A 75 -16.631 25.288 14.181 1.00 52.23 N ATOM 1055 CA PRO A 75 -16.918 25.175 15.614 1.00 25.24 C ATOM 1056 C PRO A 75 -18.166 24.344 15.890 1.00 62.11 C ATOM 1057 O PRO A 75 -18.472 24.029 17.039 1.00 75.34 O ATOM 1058 CB PRO A 75 -17.134 26.626 16.048 1.00 43.02 C ATOM 1059 CG PRO A 75 -17.572 27.331 14.810 1.00 64.15 C ATOM 1060 CD PRO A 75 -16.860 26.652 13.674 1.00 40.21 C ATOM 0 HA PRO A 75 -16.116 24.670 16.153 1.00 25.24 H new ATOM 0 HB2 PRO A 75 -17.888 26.697 16.832 1.00 43.02 H new ATOM 0 HB3 PRO A 75 -16.218 27.060 16.448 1.00 43.02 H new ATOM 0 HG2 PRO A 75 -18.653 27.268 14.687 1.00 64.15 H new ATOM 0 HG3 PRO A 75 -17.317 28.390 14.853 1.00 64.15 H new ATOM 0 HD2 PRO A 75 -17.464 26.647 12.767 1.00 40.21 H new ATOM 0 HD3 PRO A 75 -15.923 27.153 13.430 1.00 40.21 H new ATOM 1068 N GLY A 76 -18.886 23.993 14.829 1.00 35.23 N ATOM 1069 CA GLY A 76 -20.092 23.200 14.980 1.00 4.51 C ATOM 1070 C GLY A 76 -20.439 22.428 13.722 1.00 43.20 C ATOM 1071 O GLY A 76 -20.760 23.018 12.691 1.00 60.42 O ATOM 0 H GLY A 76 -18.656 24.244 13.867 1.00 35.23 H new ATOM 0 HA2 GLY A 76 -19.963 22.502 15.807 1.00 4.51 H new ATOM 0 HA3 GLY A 76 -20.923 23.855 15.242 1.00 4.51 H new ATOM 1075 N ALA A 77 -20.374 21.103 13.807 1.00 21.31 N ATOM 1076 CA ALA A 77 -20.684 20.248 12.667 1.00 64.13 C ATOM 1077 C ALA A 77 -20.477 18.777 13.012 1.00 3.31 C ATOM 1078 O ALA A 77 -19.967 18.446 14.082 1.00 42.33 O ATOM 1079 CB ALA A 77 -19.832 20.637 11.468 1.00 62.43 C ATOM 0 H ALA A 77 -20.110 20.598 14.653 1.00 21.31 H new ATOM 0 HA ALA A 77 -21.734 20.390 12.413 1.00 64.13 H new ATOM 0 HB1 ALA A 77 -20.074 19.990 10.625 1.00 62.43 H new ATOM 0 HB2 ALA A 77 -20.033 21.674 11.200 1.00 62.43 H new ATOM 0 HB3 ALA A 77 -18.777 20.526 11.720 1.00 62.43 H new ATOM 1085 N SER A 78 -20.877 17.899 12.098 1.00 55.32 N ATOM 1086 CA SER A 78 -20.738 16.462 12.308 1.00 54.45 C ATOM 1087 C SER A 78 -19.888 15.833 11.208 1.00 30.22 C ATOM 1088 O SER A 78 -20.113 16.068 10.021 1.00 33.20 O ATOM 1089 CB SER A 78 -22.114 15.796 12.348 1.00 44.40 C ATOM 1090 OG SER A 78 -22.789 15.944 11.111 1.00 10.04 O ATOM 0 H SER A 78 -21.299 18.157 11.206 1.00 55.32 H new ATOM 0 HA SER A 78 -20.239 16.306 13.264 1.00 54.45 H new ATOM 0 HB2 SER A 78 -22.002 14.737 12.580 1.00 44.40 H new ATOM 0 HB3 SER A 78 -22.711 16.236 13.147 1.00 44.40 H new ATOM 0 HG SER A 78 -22.140 16.157 10.408 1.00 10.04 H new ATOM 1096 N VAL A 79 -18.908 15.029 11.613 1.00 45.31 N ATOM 1097 CA VAL A 79 -18.024 14.364 10.664 1.00 21.22 C ATOM 1098 C VAL A 79 -17.896 12.878 10.982 1.00 42.45 C ATOM 1099 O VAL A 79 -17.554 12.500 12.102 1.00 11.05 O ATOM 1100 CB VAL A 79 -16.622 15.001 10.662 1.00 12.20 C ATOM 1101 CG1 VAL A 79 -16.685 16.431 10.147 1.00 1.14 C ATOM 1102 CG2 VAL A 79 -16.014 14.954 12.055 1.00 50.32 C ATOM 0 H VAL A 79 -18.707 14.823 12.592 1.00 45.31 H new ATOM 0 HA VAL A 79 -18.470 14.484 9.677 1.00 21.22 H new ATOM 0 HB VAL A 79 -15.982 14.427 9.991 1.00 12.20 H new ATOM 0 HG11 VAL A 79 -15.685 16.864 10.153 1.00 1.14 H new ATOM 0 HG12 VAL A 79 -17.076 16.434 9.129 1.00 1.14 H new ATOM 0 HG13 VAL A 79 -17.340 17.020 10.789 1.00 1.14 H new ATOM 0 HG21 VAL A 79 -15.023 15.408 12.035 1.00 50.32 H new ATOM 0 HG22 VAL A 79 -16.651 15.503 12.749 1.00 50.32 H new ATOM 0 HG23 VAL A 79 -15.931 13.917 12.381 1.00 50.32 H new ATOM 1112 N SER A 80 -18.171 12.040 9.987 1.00 41.11 N ATOM 1113 CA SER A 80 -18.089 10.595 10.162 1.00 13.33 C ATOM 1114 C SER A 80 -17.261 9.959 9.047 1.00 65.11 C ATOM 1115 O SER A 80 -17.126 10.523 7.962 1.00 0.33 O ATOM 1116 CB SER A 80 -19.491 9.982 10.184 1.00 73.21 C ATOM 1117 OG SER A 80 -19.933 9.672 8.875 1.00 13.14 O ATOM 0 H SER A 80 -18.452 12.337 9.053 1.00 41.11 H new ATOM 0 HA SER A 80 -17.598 10.396 11.115 1.00 13.33 H new ATOM 0 HB2 SER A 80 -19.486 9.078 10.793 1.00 73.21 H new ATOM 0 HB3 SER A 80 -20.188 10.678 10.651 1.00 73.21 H new ATOM 0 HG SER A 80 -20.830 9.280 8.917 1.00 13.14 H new ATOM 1123 N PHE A 81 -16.712 8.782 9.326 1.00 41.41 N ATOM 1124 CA PHE A 81 -15.896 8.070 8.349 1.00 22.34 C ATOM 1125 C PHE A 81 -16.011 6.560 8.542 1.00 62.34 C ATOM 1126 O PHE A 81 -16.026 6.067 9.670 1.00 52.33 O ATOM 1127 CB PHE A 81 -14.433 8.500 8.462 1.00 63.21 C ATOM 1128 CG PHE A 81 -13.745 7.972 9.688 1.00 24.54 C ATOM 1129 CD1 PHE A 81 -13.164 6.714 9.684 1.00 20.11 C ATOM 1130 CD2 PHE A 81 -13.682 8.731 10.845 1.00 44.24 C ATOM 1131 CE1 PHE A 81 -12.531 6.224 10.811 1.00 55.35 C ATOM 1132 CE2 PHE A 81 -13.049 8.247 11.975 1.00 2.03 C ATOM 1133 CZ PHE A 81 -12.474 6.991 11.957 1.00 71.54 C ATOM 0 H PHE A 81 -16.817 8.301 10.219 1.00 41.41 H new ATOM 0 HA PHE A 81 -16.264 8.321 7.354 1.00 22.34 H new ATOM 0 HB2 PHE A 81 -13.894 8.160 7.578 1.00 63.21 H new ATOM 0 HB3 PHE A 81 -14.382 9.589 8.467 1.00 63.21 H new ATOM 0 HD1 PHE A 81 -13.206 6.109 8.790 1.00 20.11 H new ATOM 0 HD2 PHE A 81 -14.133 9.712 10.865 1.00 44.24 H new ATOM 0 HE1 PHE A 81 -12.082 5.242 10.795 1.00 55.35 H new ATOM 0 HE2 PHE A 81 -13.004 8.850 12.870 1.00 2.03 H new ATOM 0 HZ PHE A 81 -11.980 6.610 12.839 1.00 71.54 H new ATOM 1143 N GLY A 82 -16.093 5.832 7.434 1.00 12.15 N ATOM 1144 CA GLY A 82 -16.206 4.385 7.503 1.00 52.35 C ATOM 1145 C GLY A 82 -14.915 3.686 7.128 1.00 33.31 C ATOM 1146 O GLY A 82 -13.985 4.311 6.618 1.00 40.31 O ATOM 0 H GLY A 82 -16.083 6.217 6.489 1.00 12.15 H new ATOM 0 HA2 GLY A 82 -16.494 4.094 8.513 1.00 52.35 H new ATOM 0 HA3 GLY A 82 -17.002 4.053 6.837 1.00 52.35 H new ATOM 1150 N PHE A 83 -14.855 2.383 7.382 1.00 74.41 N ATOM 1151 CA PHE A 83 -13.667 1.596 7.070 1.00 41.24 C ATOM 1152 C PHE A 83 -13.917 0.111 7.319 1.00 43.34 C ATOM 1153 O PHE A 83 -14.982 -0.278 7.795 1.00 12.11 O ATOM 1154 CB PHE A 83 -12.479 2.073 7.909 1.00 32.41 C ATOM 1155 CG PHE A 83 -12.541 1.628 9.343 1.00 21.20 C ATOM 1156 CD1 PHE A 83 -13.450 2.199 10.220 1.00 11.54 C ATOM 1157 CD2 PHE A 83 -11.692 0.640 9.813 1.00 13.42 C ATOM 1158 CE1 PHE A 83 -13.509 1.792 11.539 1.00 73.23 C ATOM 1159 CE2 PHE A 83 -11.746 0.229 11.131 1.00 62.32 C ATOM 1160 CZ PHE A 83 -12.657 0.806 11.995 1.00 35.42 C ATOM 0 H PHE A 83 -15.615 1.849 7.803 1.00 74.41 H new ATOM 0 HA PHE A 83 -13.436 1.735 6.014 1.00 41.24 H new ATOM 0 HB2 PHE A 83 -11.556 1.703 7.462 1.00 32.41 H new ATOM 0 HB3 PHE A 83 -12.435 3.162 7.876 1.00 32.41 H new ATOM 0 HD1 PHE A 83 -14.119 2.970 9.868 1.00 11.54 H new ATOM 0 HD2 PHE A 83 -10.979 0.185 9.141 1.00 13.42 H new ATOM 0 HE1 PHE A 83 -14.221 2.245 12.213 1.00 73.23 H new ATOM 0 HE2 PHE A 83 -11.077 -0.542 11.485 1.00 62.32 H new ATOM 0 HZ PHE A 83 -12.702 0.486 13.026 1.00 35.42 H new ATOM 1170 N ASN A 84 -12.925 -0.712 6.993 1.00 64.01 N ATOM 1171 CA ASN A 84 -13.037 -2.155 7.179 1.00 44.25 C ATOM 1172 C ASN A 84 -11.872 -2.687 8.008 1.00 24.42 C ATOM 1173 O ASN A 84 -10.932 -1.957 8.318 1.00 65.23 O ATOM 1174 CB ASN A 84 -13.080 -2.863 5.824 1.00 64.00 C ATOM 1175 CG ASN A 84 -14.310 -2.494 5.017 1.00 64.41 C ATOM 1176 OD1 ASN A 84 -14.219 -2.192 3.828 1.00 53.31 O ATOM 1177 ND2 ASN A 84 -15.470 -2.519 5.664 1.00 42.42 N ATOM 0 H ASN A 84 -12.036 -0.405 6.599 1.00 64.01 H new ATOM 0 HA ASN A 84 -13.964 -2.357 7.715 1.00 44.25 H new ATOM 0 HB2 ASN A 84 -12.186 -2.608 5.255 1.00 64.00 H new ATOM 0 HB3 ASN A 84 -13.061 -3.942 5.980 1.00 64.00 H new ATOM 0 HD21 ASN A 84 -16.333 -2.282 5.174 1.00 42.42 H new ATOM 0 HD22 ASN A 84 -15.498 -2.776 6.651 1.00 42.42 H new ATOM 1184 N GLY A 85 -11.943 -3.967 8.362 1.00 60.22 N ATOM 1185 CA GLY A 85 -10.888 -4.577 9.151 1.00 72.33 C ATOM 1186 C GLY A 85 -11.088 -6.068 9.332 1.00 13.35 C ATOM 1187 O GLY A 85 -12.159 -6.598 9.036 1.00 34.12 O ATOM 0 H GLY A 85 -12.711 -4.592 8.117 1.00 60.22 H new ATOM 0 HA2 GLY A 85 -9.928 -4.398 8.668 1.00 72.33 H new ATOM 0 HA3 GLY A 85 -10.847 -4.098 10.129 1.00 72.33 H new ATOM 1191 N SER A 86 -10.054 -6.748 9.817 1.00 51.32 N ATOM 1192 CA SER A 86 -10.119 -8.189 10.031 1.00 13.30 C ATOM 1193 C SER A 86 -9.885 -8.531 11.500 1.00 21.10 C ATOM 1194 O SER A 86 -8.773 -8.400 12.010 1.00 41.44 O ATOM 1195 CB SER A 86 -9.083 -8.902 9.160 1.00 3.45 C ATOM 1196 OG SER A 86 -9.491 -8.928 7.803 1.00 0.44 O ATOM 0 H SER A 86 -9.161 -6.324 10.069 1.00 51.32 H new ATOM 0 HA SER A 86 -11.116 -8.529 9.750 1.00 13.30 H new ATOM 0 HB2 SER A 86 -8.121 -8.396 9.245 1.00 3.45 H new ATOM 0 HB3 SER A 86 -8.940 -9.921 9.520 1.00 3.45 H new ATOM 0 HG SER A 86 -8.812 -9.387 7.266 1.00 0.44 H new ATOM 1202 N GLY A 87 -10.943 -8.971 12.174 1.00 2.30 N ATOM 1203 CA GLY A 87 -10.833 -9.325 13.577 1.00 2.14 C ATOM 1204 C GLY A 87 -12.180 -9.356 14.273 1.00 70.04 C ATOM 1205 O GLY A 87 -13.228 -9.469 13.639 1.00 2.02 O ATOM 0 H GLY A 87 -11.874 -9.089 11.774 1.00 2.30 H new ATOM 0 HA2 GLY A 87 -10.359 -10.302 13.666 1.00 2.14 H new ATOM 0 HA3 GLY A 87 -10.184 -8.608 14.080 1.00 2.14 H new ATOM 1209 N PRO A 88 -12.160 -9.255 15.611 1.00 24.01 N ATOM 1210 CA PRO A 88 -13.380 -9.270 16.423 1.00 52.14 C ATOM 1211 C PRO A 88 -14.213 -8.006 16.242 1.00 51.24 C ATOM 1212 O PRO A 88 -15.442 -8.055 16.242 1.00 21.02 O ATOM 1213 CB PRO A 88 -12.850 -9.360 17.857 1.00 60.05 C ATOM 1214 CG PRO A 88 -11.484 -8.771 17.793 1.00 70.25 C ATOM 1215 CD PRO A 88 -10.946 -9.118 16.433 1.00 44.41 C ATOM 0 HA PRO A 88 -14.044 -10.089 16.146 1.00 52.14 H new ATOM 0 HB2 PRO A 88 -13.487 -8.809 18.550 1.00 60.05 H new ATOM 0 HB3 PRO A 88 -12.820 -10.393 18.204 1.00 60.05 H new ATOM 0 HG2 PRO A 88 -11.518 -7.691 17.935 1.00 70.25 H new ATOM 0 HG3 PRO A 88 -10.847 -9.176 18.579 1.00 70.25 H new ATOM 0 HD2 PRO A 88 -10.287 -8.338 16.050 1.00 44.41 H new ATOM 0 HD3 PRO A 88 -10.368 -10.042 16.453 1.00 44.41 H new ATOM 1223 N GLY A 89 -13.534 -6.872 16.087 1.00 61.41 N ATOM 1224 CA GLY A 89 -14.229 -5.610 15.907 1.00 14.15 C ATOM 1225 C GLY A 89 -14.571 -4.944 17.224 1.00 64.13 C ATOM 1226 O GLY A 89 -15.533 -4.180 17.309 1.00 40.22 O ATOM 0 H GLY A 89 -12.516 -6.805 16.083 1.00 61.41 H new ATOM 0 HA2 GLY A 89 -13.608 -4.938 15.314 1.00 14.15 H new ATOM 0 HA3 GLY A 89 -15.145 -5.781 15.341 1.00 14.15 H new ATOM 1230 N SER A 90 -13.785 -5.234 18.255 1.00 41.41 N ATOM 1231 CA SER A 90 -14.013 -4.661 19.576 1.00 74.43 C ATOM 1232 C SER A 90 -12.891 -3.698 19.952 1.00 45.32 C ATOM 1233 O SER A 90 -12.005 -4.016 20.746 1.00 2.02 O ATOM 1234 CB SER A 90 -14.121 -5.771 20.625 1.00 43.15 C ATOM 1235 OG SER A 90 -14.892 -6.856 20.141 1.00 23.14 O ATOM 0 H SER A 90 -12.984 -5.863 18.201 1.00 41.41 H new ATOM 0 HA SER A 90 -14.950 -4.105 19.547 1.00 74.43 H new ATOM 0 HB2 SER A 90 -13.124 -6.120 20.893 1.00 43.15 H new ATOM 0 HB3 SER A 90 -14.575 -5.375 21.533 1.00 43.15 H new ATOM 0 HG SER A 90 -14.945 -7.552 20.829 1.00 23.14 H new ATOM 1241 N PRO A 91 -12.928 -2.491 19.368 1.00 21.30 N ATOM 1242 CA PRO A 91 -11.923 -1.455 19.626 1.00 24.22 C ATOM 1243 C PRO A 91 -12.027 -0.885 21.037 1.00 51.10 C ATOM 1244 O PRO A 91 -13.068 -0.991 21.685 1.00 4.34 O ATOM 1245 CB PRO A 91 -12.249 -0.379 18.589 1.00 1.33 C ATOM 1246 CG PRO A 91 -13.696 -0.568 18.288 1.00 55.21 C ATOM 1247 CD PRO A 91 -13.955 -2.044 18.412 1.00 61.51 C ATOM 0 HA PRO A 91 -10.908 -1.844 19.551 1.00 24.22 H new ATOM 0 HB2 PRO A 91 -12.053 0.620 18.980 1.00 1.33 H new ATOM 0 HB3 PRO A 91 -11.640 -0.496 17.693 1.00 1.33 H new ATOM 0 HG2 PRO A 91 -14.316 -0.003 18.984 1.00 55.21 H new ATOM 0 HG3 PRO A 91 -13.936 -0.212 17.286 1.00 55.21 H new ATOM 0 HD2 PRO A 91 -14.961 -2.246 18.779 1.00 61.51 H new ATOM 0 HD3 PRO A 91 -13.858 -2.551 17.452 1.00 61.51 H new ATOM 1255 N SER A 92 -10.941 -0.280 21.507 1.00 53.50 N ATOM 1256 CA SER A 92 -10.909 0.305 22.842 1.00 30.03 C ATOM 1257 C SER A 92 -10.025 1.548 22.870 1.00 1.12 C ATOM 1258 O SER A 92 -9.328 1.849 21.903 1.00 14.23 O ATOM 1259 CB SER A 92 -10.400 -0.720 23.858 1.00 62.24 C ATOM 1260 OG SER A 92 -11.201 -0.720 25.027 1.00 23.42 O ATOM 0 H SER A 92 -10.071 -0.182 20.983 1.00 53.50 H new ATOM 0 HA SER A 92 -11.925 0.597 23.108 1.00 30.03 H new ATOM 0 HB2 SER A 92 -10.405 -1.714 23.410 1.00 62.24 H new ATOM 0 HB3 SER A 92 -9.367 -0.494 24.121 1.00 62.24 H new ATOM 0 HG SER A 92 -10.856 -1.384 25.660 1.00 23.42 H new ATOM 1266 N ASN A 93 -10.061 2.266 23.988 1.00 42.22 N ATOM 1267 CA ASN A 93 -9.264 3.478 24.143 1.00 22.30 C ATOM 1268 C ASN A 93 -9.611 4.499 23.064 1.00 12.11 C ATOM 1269 O ASN A 93 -8.725 5.071 22.428 1.00 51.11 O ATOM 1270 CB ASN A 93 -7.773 3.144 24.084 1.00 12.41 C ATOM 1271 CG ASN A 93 -7.242 2.630 25.409 1.00 25.02 C ATOM 1272 OD1 ASN A 93 -6.326 3.211 25.990 1.00 34.33 O ATOM 1273 ND2 ASN A 93 -7.818 1.535 25.891 1.00 62.31 N ATOM 0 H ASN A 93 -10.633 2.030 24.799 1.00 42.22 H new ATOM 0 HA ASN A 93 -9.494 3.912 25.116 1.00 22.30 H new ATOM 0 HB2 ASN A 93 -7.602 2.394 23.312 1.00 12.41 H new ATOM 0 HB3 ASN A 93 -7.215 4.034 23.793 1.00 12.41 H new ATOM 0 HD21 ASN A 93 -7.504 1.142 26.778 1.00 62.31 H new ATOM 0 HD22 ASN A 93 -8.575 1.087 25.374 1.00 62.31 H new ATOM 1280 N CYS A 94 -10.905 4.724 22.863 1.00 11.25 N ATOM 1281 CA CYS A 94 -11.370 5.675 21.860 1.00 71.03 C ATOM 1282 C CYS A 94 -10.979 7.100 22.241 1.00 21.21 C ATOM 1283 O CYS A 94 -11.615 7.724 23.091 1.00 22.22 O ATOM 1284 CB CYS A 94 -12.887 5.576 21.697 1.00 62.20 C ATOM 1285 SG CYS A 94 -13.498 3.887 21.490 1.00 50.33 S ATOM 0 H CYS A 94 -11.651 4.260 23.382 1.00 11.25 H new ATOM 0 HA CYS A 94 -10.894 5.427 20.911 1.00 71.03 H new ATOM 0 HB2 CYS A 94 -13.365 6.020 22.570 1.00 62.20 H new ATOM 0 HB3 CYS A 94 -13.188 6.168 20.833 1.00 62.20 H new ATOM 0 HG CYS A 94 -13.945 3.733 20.279 1.00 50.33 H new ATOM 1291 N LYS A 95 -9.927 7.608 21.609 1.00 43.11 N ATOM 1292 CA LYS A 95 -9.450 8.959 21.880 1.00 71.21 C ATOM 1293 C LYS A 95 -9.419 9.793 20.603 1.00 74.30 C ATOM 1294 O LYS A 95 -9.075 9.292 19.531 1.00 31.21 O ATOM 1295 CB LYS A 95 -8.054 8.913 22.505 1.00 73.04 C ATOM 1296 CG LYS A 95 -8.069 8.766 24.016 1.00 74.24 C ATOM 1297 CD LYS A 95 -8.226 7.313 24.434 1.00 53.13 C ATOM 1298 CE LYS A 95 -8.369 7.179 25.942 1.00 72.52 C ATOM 1299 NZ LYS A 95 -9.779 7.366 26.384 1.00 4.15 N ATOM 0 H LYS A 95 -9.388 7.104 20.905 1.00 43.11 H new ATOM 0 HA LYS A 95 -10.141 9.427 22.581 1.00 71.21 H new ATOM 0 HB2 LYS A 95 -7.499 8.080 22.073 1.00 73.04 H new ATOM 0 HB3 LYS A 95 -7.517 9.825 22.242 1.00 73.04 H new ATOM 0 HG2 LYS A 95 -7.144 9.167 24.431 1.00 74.24 H new ATOM 0 HG3 LYS A 95 -8.886 9.355 24.432 1.00 74.24 H new ATOM 0 HD2 LYS A 95 -9.101 6.885 23.945 1.00 53.13 H new ATOM 0 HD3 LYS A 95 -7.361 6.741 24.097 1.00 53.13 H new ATOM 0 HE2 LYS A 95 -8.018 6.195 26.254 1.00 72.52 H new ATOM 0 HE3 LYS A 95 -7.733 7.915 26.434 1.00 72.52 H new ATOM 0 HZ1 LYS A 95 -9.835 7.267 27.418 1.00 4.15 H new ATOM 0 HZ2 LYS A 95 -10.106 8.314 26.109 1.00 4.15 H new ATOM 0 HZ3 LYS A 95 -10.382 6.648 25.935 1.00 4.15 H new ATOM 1313 N LEU A 96 -9.779 11.065 20.724 1.00 40.40 N ATOM 1314 CA LEU A 96 -9.791 11.969 19.579 1.00 44.42 C ATOM 1315 C LEU A 96 -9.709 13.423 20.032 1.00 15.40 C ATOM 1316 O LEU A 96 -10.207 13.780 21.098 1.00 63.02 O ATOM 1317 CB LEU A 96 -11.056 11.753 18.747 1.00 3.32 C ATOM 1318 CG LEU A 96 -12.321 12.449 19.254 1.00 54.51 C ATOM 1319 CD1 LEU A 96 -12.450 13.835 18.641 1.00 12.25 C ATOM 1320 CD2 LEU A 96 -13.551 11.609 18.946 1.00 63.23 C ATOM 0 H LEU A 96 -10.067 11.494 21.603 1.00 40.40 H new ATOM 0 HA LEU A 96 -8.918 11.749 18.965 1.00 44.42 H new ATOM 0 HB2 LEU A 96 -10.861 12.094 17.730 1.00 3.32 H new ATOM 0 HB3 LEU A 96 -11.252 10.682 18.692 1.00 3.32 H new ATOM 0 HG LEU A 96 -12.244 12.560 20.336 1.00 54.51 H new ATOM 0 HD11 LEU A 96 -13.355 14.315 19.013 1.00 12.25 H new ATOM 0 HD12 LEU A 96 -11.583 14.436 18.914 1.00 12.25 H new ATOM 0 HD13 LEU A 96 -12.505 13.749 17.556 1.00 12.25 H new ATOM 0 HD21 LEU A 96 -14.441 12.119 19.314 1.00 63.23 H new ATOM 0 HD22 LEU A 96 -13.633 11.466 17.869 1.00 63.23 H new ATOM 0 HD23 LEU A 96 -13.461 10.639 19.435 1.00 63.23 H new ATOM 1332 N ASN A 97 -9.078 14.258 19.212 1.00 20.12 N ATOM 1333 CA ASN A 97 -8.932 15.674 19.528 1.00 41.40 C ATOM 1334 C ASN A 97 -8.199 15.864 20.852 1.00 14.22 C ATOM 1335 O ASN A 97 -8.706 16.511 21.767 1.00 72.23 O ATOM 1336 CB ASN A 97 -10.304 16.349 19.591 1.00 23.14 C ATOM 1337 CG ASN A 97 -10.812 16.756 18.222 1.00 20.32 C ATOM 1338 OD1 ASN A 97 -10.196 16.447 17.202 1.00 11.23 O ATOM 1339 ND2 ASN A 97 -11.942 17.454 18.193 1.00 50.43 N ATOM 0 H ASN A 97 -8.660 13.978 18.325 1.00 20.12 H new ATOM 0 HA ASN A 97 -8.342 16.137 18.737 1.00 41.40 H new ATOM 0 HB2 ASN A 97 -11.019 15.669 20.053 1.00 23.14 H new ATOM 0 HB3 ASN A 97 -10.243 17.230 20.230 1.00 23.14 H new ATOM 0 HD21 ASN A 97 -12.332 17.756 17.300 1.00 50.43 H new ATOM 0 HD22 ASN A 97 -12.419 17.688 19.063 1.00 50.43 H new ATOM 1346 N GLY A 98 -7.001 15.295 20.945 1.00 51.11 N ATOM 1347 CA GLY A 98 -6.216 15.412 22.160 1.00 42.15 C ATOM 1348 C GLY A 98 -6.733 14.522 23.273 1.00 43.13 C ATOM 1349 O GLY A 98 -6.791 14.935 24.431 1.00 31.02 O ATOM 0 H GLY A 98 -6.560 14.755 20.200 1.00 51.11 H new ATOM 0 HA2 GLY A 98 -5.179 15.154 21.945 1.00 42.15 H new ATOM 0 HA3 GLY A 98 -6.224 16.449 22.495 1.00 42.15 H new ATOM 1353 N GLY A 99 -7.112 13.298 22.922 1.00 0.05 N ATOM 1354 CA GLY A 99 -7.624 12.367 23.910 1.00 74.33 C ATOM 1355 C GLY A 99 -8.876 12.879 24.594 1.00 22.31 C ATOM 1356 O GLY A 99 -8.912 13.016 25.817 1.00 44.22 O ATOM 0 H GLY A 99 -7.074 12.934 21.970 1.00 0.05 H new ATOM 0 HA2 GLY A 99 -7.841 11.414 23.428 1.00 74.33 H new ATOM 0 HA3 GLY A 99 -6.855 12.178 24.660 1.00 74.33 H new ATOM 1360 N SER A 100 -9.906 13.162 23.803 1.00 25.02 N ATOM 1361 CA SER A 100 -11.166 13.666 24.339 1.00 72.52 C ATOM 1362 C SER A 100 -12.354 13.024 23.630 1.00 43.54 C ATOM 1363 O SER A 100 -12.661 13.358 22.485 1.00 11.33 O ATOM 1364 CB SER A 100 -11.231 15.188 24.196 1.00 24.44 C ATOM 1365 OG SER A 100 -11.390 15.813 25.458 1.00 31.23 O ATOM 0 H SER A 100 -9.893 13.051 22.789 1.00 25.02 H new ATOM 0 HA SER A 100 -11.214 13.405 25.396 1.00 72.52 H new ATOM 0 HB2 SER A 100 -10.320 15.551 23.719 1.00 24.44 H new ATOM 0 HB3 SER A 100 -12.062 15.460 23.545 1.00 24.44 H new ATOM 0 HG SER A 100 -11.427 16.785 25.339 1.00 31.23 H new ATOM 1371 N CYS A 101 -13.019 12.104 24.318 1.00 32.42 N ATOM 1372 CA CYS A 101 -14.174 11.414 23.754 1.00 3.41 C ATOM 1373 C CYS A 101 -15.101 10.915 24.857 1.00 34.43 C ATOM 1374 O CYS A 101 -14.643 10.438 25.897 1.00 65.34 O ATOM 1375 CB CYS A 101 -13.720 10.242 22.883 1.00 71.53 C ATOM 1376 SG CYS A 101 -15.073 9.220 22.255 1.00 21.31 S ATOM 0 H CYS A 101 -12.779 11.818 25.267 1.00 32.42 H new ATOM 0 HA CYS A 101 -14.724 12.124 23.136 1.00 3.41 H new ATOM 0 HB2 CYS A 101 -13.150 10.630 22.039 1.00 71.53 H new ATOM 0 HB3 CYS A 101 -13.043 9.614 23.462 1.00 71.53 H new ATOM 0 HG CYS A 101 -14.588 8.257 21.528 1.00 21.31 H new