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 114:sc= 1.62 USER MOD Set 1.2: A 101 CYS SG : rot 151:sc= 0.765 USER MOD Set 2.1: A 61 HIS : no HE2:sc= -2.48 K(o=-3.2,f=-4.3) USER MOD Set 2.2: A 63 THR OG1 : rot 180:sc= -0.735 USER MOD Set 3.1: A 11 THR OG1 : rot 174:sc= 0.772 USER MOD Set 3.2: A 21 SER OG : rot 84:sc= 0.976 USER MOD Single : A 5 THR OG1 : rot -8:sc= 0.776 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -152:sc= 0.902 (180deg=0.102) USER MOD Single : A 12 SER OG : rot 62:sc= 0.00325 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0916 X(o=-0.092,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.01 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -78:sc= 0.662 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0387 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 148:sc= -0.21 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 10:sc= 0.0997 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 57 ASN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 58 SER OG : rot 37:sc= 0.312 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.0672 X(o=-0.067,f=0) USER MOD Single : A 70 ASN : amide:sc= -2.34 K(o=-2.3,f=-3.7!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 29:sc= 0.213 USER MOD Single : A 84 ASN : amide:sc= -1.84 K(o=-1.8,f=-3.3) 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= -0.463 K(o=-0.46,f=-1.9) USER MOD Single : A 95 LYS NZ :NH3+ 154:sc= -0.0263 (180deg=-0.305) USER MOD Single : A 97 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.021) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -16.991 14.667 20.708 1.00 13.02 N ATOM 47 CA THR A 5 -17.508 13.364 21.106 1.00 61.42 C ATOM 48 C THR A 5 -17.513 12.392 19.932 1.00 34.12 C ATOM 49 O THR A 5 -17.645 12.798 18.778 1.00 60.11 O ATOM 50 CB THR A 5 -18.937 13.477 21.670 1.00 25.53 C ATOM 51 OG1 THR A 5 -19.509 14.738 21.308 1.00 45.30 O ATOM 52 CG2 THR A 5 -18.934 13.332 23.185 1.00 65.11 C ATOM 0 HA THR A 5 -16.846 12.985 21.884 1.00 61.42 H new ATOM 0 HB THR A 5 -19.536 12.672 21.245 1.00 25.53 H new ATOM 0 HG1 THR A 5 -18.822 15.302 20.894 1.00 45.30 H new ATOM 0 HG21 THR A 5 -19.954 13.415 23.560 1.00 65.11 H new ATOM 0 HG22 THR A 5 -18.526 12.359 23.457 1.00 65.11 H new ATOM 0 HG23 THR A 5 -18.320 14.118 23.625 1.00 65.11 H new ATOM 60 N ALA A 6 -17.368 11.106 20.234 1.00 32.22 N ATOM 61 CA ALA A 6 -17.358 10.076 19.204 1.00 22.12 C ATOM 62 C ALA A 6 -18.136 8.843 19.652 1.00 44.24 C ATOM 63 O ALA A 6 -18.198 8.533 20.842 1.00 43.24 O ATOM 64 CB ALA A 6 -15.927 9.698 18.849 1.00 4.22 C ATOM 0 H ALA A 6 -17.256 10.753 21.184 1.00 32.22 H new ATOM 0 HA ALA A 6 -17.847 10.480 18.317 1.00 22.12 H new ATOM 0 HB1 ALA A 6 -15.935 8.927 18.078 1.00 4.22 H new ATOM 0 HB2 ALA A 6 -15.400 10.577 18.478 1.00 4.22 H new ATOM 0 HB3 ALA A 6 -15.420 9.319 19.736 1.00 4.22 H new ATOM 70 N THR A 7 -18.731 8.143 18.691 1.00 31.24 N ATOM 71 CA THR A 7 -19.507 6.945 18.987 1.00 34.30 C ATOM 72 C THR A 7 -19.187 5.825 18.003 1.00 40.32 C ATOM 73 O THR A 7 -19.391 5.968 16.797 1.00 73.31 O ATOM 74 CB THR A 7 -21.020 7.232 18.946 1.00 61.33 C ATOM 75 OG1 THR A 7 -21.252 8.645 18.984 1.00 32.53 O ATOM 76 CG2 THR A 7 -21.729 6.566 20.116 1.00 32.42 C ATOM 0 H THR A 7 -18.690 8.385 17.701 1.00 31.24 H new ATOM 0 HA THR A 7 -19.231 6.630 19.993 1.00 34.30 H new ATOM 0 HB THR A 7 -21.420 6.823 18.018 1.00 61.33 H new ATOM 0 HG1 THR A 7 -22.216 8.819 18.956 1.00 32.53 H new ATOM 0 HG21 THR A 7 -22.796 6.783 20.066 1.00 32.42 H new ATOM 0 HG22 THR A 7 -21.575 5.488 20.069 1.00 32.42 H new ATOM 0 HG23 THR A 7 -21.324 6.950 21.053 1.00 32.42 H new ATOM 84 N PHE A 8 -18.686 4.711 18.525 1.00 14.11 N ATOM 85 CA PHE A 8 -18.337 3.566 17.692 1.00 3.04 C ATOM 86 C PHE A 8 -19.590 2.904 17.125 1.00 11.42 C ATOM 87 O PHE A 8 -20.636 2.874 17.773 1.00 12.43 O ATOM 88 CB PHE A 8 -17.530 2.547 18.499 1.00 53.43 C ATOM 89 CG PHE A 8 -17.234 1.283 17.744 1.00 62.21 C ATOM 90 CD1 PHE A 8 -16.585 1.326 16.521 1.00 62.14 C ATOM 91 CD2 PHE A 8 -17.606 0.052 18.258 1.00 32.14 C ATOM 92 CE1 PHE A 8 -16.311 0.165 15.824 1.00 70.11 C ATOM 93 CE2 PHE A 8 -17.335 -1.113 17.565 1.00 35.55 C ATOM 94 CZ PHE A 8 -16.687 -1.057 16.346 1.00 64.05 C ATOM 0 H PHE A 8 -18.512 4.576 19.521 1.00 14.11 H new ATOM 0 HA PHE A 8 -17.729 3.925 16.862 1.00 3.04 H new ATOM 0 HB2 PHE A 8 -16.590 3.004 18.810 1.00 53.43 H new ATOM 0 HB3 PHE A 8 -18.079 2.298 19.407 1.00 53.43 H new ATOM 0 HD1 PHE A 8 -16.290 2.279 16.107 1.00 62.14 H new ATOM 0 HD2 PHE A 8 -18.113 0.002 19.210 1.00 32.14 H new ATOM 0 HE1 PHE A 8 -15.803 0.213 14.872 1.00 70.11 H new ATOM 0 HE2 PHE A 8 -17.630 -2.067 17.976 1.00 35.55 H new ATOM 0 HZ PHE A 8 -16.475 -1.966 15.803 1.00 64.05 H new ATOM 104 N ALA A 9 -19.476 2.376 15.911 1.00 13.32 N ATOM 105 CA ALA A 9 -20.597 1.715 15.257 1.00 34.55 C ATOM 106 C ALA A 9 -20.114 0.603 14.331 1.00 23.11 C ATOM 107 O ALA A 9 -18.984 0.632 13.846 1.00 0.44 O ATOM 108 CB ALA A 9 -21.429 2.726 14.482 1.00 41.22 C ATOM 0 H ALA A 9 -18.617 2.394 15.361 1.00 13.32 H new ATOM 0 HA ALA A 9 -21.221 1.265 16.029 1.00 34.55 H new ATOM 0 HB1 ALA A 9 -22.263 2.217 13.999 1.00 41.22 H new ATOM 0 HB2 ALA A 9 -21.813 3.482 15.167 1.00 41.22 H new ATOM 0 HB3 ALA A 9 -20.808 3.204 13.725 1.00 41.22 H new ATOM 114 N LYS A 10 -20.979 -0.378 14.090 1.00 41.44 N ATOM 115 CA LYS A 10 -20.642 -1.499 13.221 1.00 4.11 C ATOM 116 C LYS A 10 -21.158 -1.265 11.805 1.00 43.11 C ATOM 117 O LYS A 10 -22.106 -0.508 11.595 1.00 41.25 O ATOM 118 CB LYS A 10 -21.228 -2.797 13.780 1.00 3.00 C ATOM 119 CG LYS A 10 -20.201 -3.684 14.462 1.00 13.20 C ATOM 120 CD LYS A 10 -19.173 -4.209 13.473 1.00 22.22 C ATOM 121 CE LYS A 10 -19.818 -5.093 12.417 1.00 52.30 C ATOM 122 NZ LYS A 10 -20.647 -6.170 13.025 1.00 1.21 N ATOM 0 H LYS A 10 -21.919 -0.419 14.485 1.00 41.44 H new ATOM 0 HA LYS A 10 -19.556 -1.583 13.183 1.00 4.11 H new ATOM 0 HB2 LYS A 10 -22.015 -2.553 14.493 1.00 3.00 H new ATOM 0 HB3 LYS A 10 -21.695 -3.354 12.968 1.00 3.00 H new ATOM 0 HG2 LYS A 10 -19.697 -3.121 15.248 1.00 13.20 H new ATOM 0 HG3 LYS A 10 -20.705 -4.522 14.944 1.00 13.20 H new ATOM 0 HD2 LYS A 10 -18.670 -3.371 12.990 1.00 22.22 H new ATOM 0 HD3 LYS A 10 -18.409 -4.775 14.006 1.00 22.22 H new ATOM 0 HE2 LYS A 10 -20.440 -4.482 11.763 1.00 52.30 H new ATOM 0 HE3 LYS A 10 -19.043 -5.539 11.794 1.00 52.30 H new ATOM 0 HZ1 LYS A 10 -20.675 -6.989 12.385 1.00 1.21 H new ATOM 0 HZ2 LYS A 10 -20.232 -6.455 13.935 1.00 1.21 H new ATOM 0 HZ3 LYS A 10 -21.613 -5.818 13.180 1.00 1.21 H new ATOM 136 N THR A 11 -20.529 -1.920 10.835 1.00 33.24 N ATOM 137 CA THR A 11 -20.924 -1.783 9.439 1.00 32.03 C ATOM 138 C THR A 11 -21.336 -3.128 8.850 1.00 45.41 C ATOM 139 O THR A 11 -22.464 -3.292 8.385 1.00 25.45 O ATOM 140 CB THR A 11 -19.785 -1.191 8.587 1.00 62.23 C ATOM 141 OG1 THR A 11 -18.977 -0.320 9.387 1.00 64.53 O ATOM 142 CG2 THR A 11 -20.342 -0.423 7.398 1.00 4.23 C ATOM 0 H THR A 11 -19.743 -2.551 10.991 1.00 33.24 H new ATOM 0 HA THR A 11 -21.775 -1.103 9.417 1.00 32.03 H new ATOM 0 HB THR A 11 -19.174 -2.013 8.215 1.00 62.23 H new ATOM 0 HG1 THR A 11 -18.205 -0.018 8.864 1.00 64.53 H new ATOM 0 HG21 THR A 11 -19.519 -0.014 6.811 1.00 4.23 H new ATOM 0 HG22 THR A 11 -20.933 -1.095 6.776 1.00 4.23 H new ATOM 0 HG23 THR A 11 -20.973 0.391 7.754 1.00 4.23 H new ATOM 150 N SER A 12 -20.417 -4.086 8.873 1.00 53.51 N ATOM 151 CA SER A 12 -20.684 -5.416 8.338 1.00 35.20 C ATOM 152 C SER A 12 -19.490 -6.340 8.558 1.00 71.31 C ATOM 153 O SER A 12 -18.355 -5.997 8.228 1.00 4.42 O ATOM 154 CB SER A 12 -21.011 -5.333 6.845 1.00 74.25 C ATOM 155 OG SER A 12 -22.332 -5.772 6.588 1.00 21.34 O ATOM 0 H SER A 12 -19.479 -3.967 9.257 1.00 53.51 H new ATOM 0 HA SER A 12 -21.543 -5.828 8.868 1.00 35.20 H new ATOM 0 HB2 SER A 12 -20.892 -4.306 6.500 1.00 74.25 H new ATOM 0 HB3 SER A 12 -20.305 -5.943 6.280 1.00 74.25 H new ATOM 0 HG SER A 12 -22.967 -5.192 7.058 1.00 21.34 H new ATOM 161 N ASP A 13 -19.755 -7.515 9.120 1.00 30.31 N ATOM 162 CA ASP A 13 -18.704 -8.491 9.384 1.00 4.21 C ATOM 163 C ASP A 13 -18.918 -9.757 8.561 1.00 3.12 C ATOM 164 O ASP A 13 -20.000 -10.343 8.576 1.00 42.12 O ATOM 165 CB ASP A 13 -18.662 -8.837 10.874 1.00 4.31 C ATOM 166 CG ASP A 13 -19.990 -9.366 11.382 1.00 13.44 C ATOM 167 OD1 ASP A 13 -20.952 -8.575 11.462 1.00 31.40 O ATOM 168 OD2 ASP A 13 -20.065 -10.572 11.697 1.00 51.12 O ATOM 0 H ASP A 13 -20.689 -7.814 9.401 1.00 30.31 H new ATOM 0 HA ASP A 13 -17.751 -8.048 9.095 1.00 4.21 H new ATOM 0 HB2 ASP A 13 -17.886 -9.582 11.050 1.00 4.31 H new ATOM 0 HB3 ASP A 13 -18.386 -7.949 11.443 1.00 4.31 H new ATOM 173 N TRP A 14 -17.881 -10.171 7.842 1.00 30.22 N ATOM 174 CA TRP A 14 -17.957 -11.367 7.011 1.00 73.10 C ATOM 175 C TRP A 14 -17.093 -12.485 7.586 1.00 14.40 C ATOM 176 O TRP A 14 -15.956 -12.684 7.161 1.00 11.14 O ATOM 177 CB TRP A 14 -17.514 -11.049 5.582 1.00 4.35 C ATOM 178 CG TRP A 14 -16.262 -10.228 5.515 1.00 74.14 C ATOM 179 CD1 TRP A 14 -14.992 -10.686 5.314 1.00 12.13 C ATOM 180 CD2 TRP A 14 -16.160 -8.806 5.655 1.00 21.33 C ATOM 181 NE1 TRP A 14 -14.107 -9.636 5.318 1.00 73.12 N ATOM 182 CE2 TRP A 14 -14.798 -8.472 5.525 1.00 2.41 C ATOM 183 CE3 TRP A 14 -17.088 -7.784 5.873 1.00 32.52 C ATOM 184 CZ2 TRP A 14 -14.344 -7.158 5.608 1.00 73.33 C ATOM 185 CZ3 TRP A 14 -16.635 -6.481 5.957 1.00 3.04 C ATOM 186 CH2 TRP A 14 -15.274 -6.177 5.824 1.00 14.21 C ATOM 0 H TRP A 14 -16.978 -9.697 7.818 1.00 30.22 H new ATOM 0 HA TRP A 14 -18.994 -11.704 6.997 1.00 73.10 H new ATOM 0 HB2 TRP A 14 -17.356 -11.983 5.042 1.00 4.35 H new ATOM 0 HB3 TRP A 14 -18.316 -10.517 5.071 1.00 4.35 H new ATOM 0 HD1 TRP A 14 -14.723 -11.722 5.173 1.00 12.13 H new ATOM 0 HE1 TRP A 14 -13.098 -9.711 5.188 1.00 73.12 H new ATOM 0 HE3 TRP A 14 -18.140 -8.008 5.974 1.00 32.52 H new ATOM 0 HZ2 TRP A 14 -13.295 -6.921 5.506 1.00 73.33 H new ATOM 0 HZ3 TRP A 14 -17.343 -5.683 6.128 1.00 3.04 H new ATOM 0 HH2 TRP A 14 -14.952 -5.148 5.893 1.00 14.21 H new ATOM 197 N GLY A 15 -17.641 -13.212 8.555 1.00 13.10 N ATOM 198 CA GLY A 15 -16.906 -14.300 9.172 1.00 52.31 C ATOM 199 C GLY A 15 -15.811 -13.809 10.097 1.00 63.32 C ATOM 200 O GLY A 15 -16.014 -13.695 11.307 1.00 20.31 O ATOM 0 H GLY A 15 -18.581 -13.067 8.924 1.00 13.10 H new ATOM 0 HA2 GLY A 15 -17.597 -14.929 9.734 1.00 52.31 H new ATOM 0 HA3 GLY A 15 -16.467 -14.925 8.394 1.00 52.31 H new ATOM 204 N THR A 16 -14.644 -13.519 9.530 1.00 21.12 N ATOM 205 CA THR A 16 -13.511 -13.040 10.313 1.00 64.21 C ATOM 206 C THR A 16 -13.322 -11.538 10.143 1.00 42.10 C ATOM 207 O THR A 16 -12.647 -10.892 10.943 1.00 34.54 O ATOM 208 CB THR A 16 -12.209 -13.759 9.914 1.00 12.40 C ATOM 209 OG1 THR A 16 -11.154 -13.396 10.812 1.00 41.14 O ATOM 210 CG2 THR A 16 -11.812 -13.408 8.488 1.00 51.14 C ATOM 0 H THR A 16 -14.459 -13.608 8.531 1.00 21.12 H new ATOM 0 HA THR A 16 -13.733 -13.259 11.357 1.00 64.21 H new ATOM 0 HB THR A 16 -12.381 -14.834 9.972 1.00 12.40 H new ATOM 0 HG1 THR A 16 -10.330 -13.859 10.552 1.00 41.14 H new ATOM 0 HG21 THR A 16 -10.890 -13.928 8.229 1.00 51.14 H new ATOM 0 HG22 THR A 16 -12.604 -13.712 7.804 1.00 51.14 H new ATOM 0 HG23 THR A 16 -11.657 -12.332 8.408 1.00 51.14 H new ATOM 218 N GLY A 17 -13.923 -10.984 9.094 1.00 14.33 N ATOM 219 CA GLY A 17 -13.808 -9.561 8.838 1.00 4.53 C ATOM 220 C GLY A 17 -14.884 -8.756 9.540 1.00 33.24 C ATOM 221 O GLY A 17 -15.951 -9.280 9.861 1.00 22.04 O ATOM 0 H GLY A 17 -14.488 -11.496 8.417 1.00 14.33 H new ATOM 0 HA2 GLY A 17 -12.828 -9.214 9.165 1.00 4.53 H new ATOM 0 HA3 GLY A 17 -13.867 -9.382 7.764 1.00 4.53 H new ATOM 225 N PHE A 18 -14.604 -7.480 9.782 1.00 55.31 N ATOM 226 CA PHE A 18 -15.554 -6.603 10.455 1.00 23.04 C ATOM 227 C PHE A 18 -15.468 -5.183 9.903 1.00 51.02 C ATOM 228 O PHE A 18 -14.386 -4.696 9.579 1.00 20.33 O ATOM 229 CB PHE A 18 -15.295 -6.593 11.963 1.00 3.22 C ATOM 230 CG PHE A 18 -14.118 -5.751 12.363 1.00 13.52 C ATOM 231 CD1 PHE A 18 -14.277 -4.405 12.646 1.00 74.33 C ATOM 232 CD2 PHE A 18 -12.851 -6.307 12.454 1.00 62.54 C ATOM 233 CE1 PHE A 18 -13.194 -3.627 13.014 1.00 23.13 C ATOM 234 CE2 PHE A 18 -11.766 -5.535 12.823 1.00 13.54 C ATOM 235 CZ PHE A 18 -11.937 -4.193 13.104 1.00 1.23 C ATOM 0 H PHE A 18 -13.726 -7.030 9.522 1.00 55.31 H new ATOM 0 HA PHE A 18 -16.557 -6.987 10.270 1.00 23.04 H new ATOM 0 HB2 PHE A 18 -16.185 -6.226 12.474 1.00 3.22 H new ATOM 0 HB3 PHE A 18 -15.132 -7.616 12.302 1.00 3.22 H new ATOM 0 HD1 PHE A 18 -15.258 -3.957 12.579 1.00 74.33 H new ATOM 0 HD2 PHE A 18 -12.711 -7.355 12.234 1.00 62.54 H new ATOM 0 HE1 PHE A 18 -13.331 -2.578 13.231 1.00 23.13 H new ATOM 0 HE2 PHE A 18 -10.785 -5.980 12.892 1.00 13.54 H new ATOM 0 HZ PHE A 18 -11.090 -3.588 13.393 1.00 1.23 H new ATOM 245 N GLY A 19 -16.618 -4.523 9.799 1.00 51.20 N ATOM 246 CA GLY A 19 -16.651 -3.166 9.286 1.00 33.43 C ATOM 247 C GLY A 19 -16.804 -2.134 10.385 1.00 54.15 C ATOM 248 O GLY A 19 -17.767 -2.170 11.150 1.00 45.42 O ATOM 0 H GLY A 19 -17.527 -4.904 10.061 1.00 51.20 H new ATOM 0 HA2 GLY A 19 -15.734 -2.968 8.731 1.00 33.43 H new ATOM 0 HA3 GLY A 19 -17.477 -3.067 8.582 1.00 33.43 H new ATOM 252 N GLY A 20 -15.849 -1.212 10.467 1.00 21.23 N ATOM 253 CA GLY A 20 -15.900 -0.179 11.485 1.00 31.11 C ATOM 254 C GLY A 20 -16.626 1.065 11.015 1.00 24.14 C ATOM 255 O GLY A 20 -16.621 1.382 9.825 1.00 61.43 O ATOM 0 H GLY A 20 -15.041 -1.162 9.846 1.00 21.23 H new ATOM 0 HA2 GLY A 20 -16.397 -0.572 12.372 1.00 31.11 H new ATOM 0 HA3 GLY A 20 -14.885 0.086 11.780 1.00 31.11 H new ATOM 259 N SER A 21 -17.256 1.769 11.949 1.00 64.41 N ATOM 260 CA SER A 21 -17.997 2.982 11.622 1.00 44.34 C ATOM 261 C SER A 21 -17.924 3.987 12.767 1.00 42.43 C ATOM 262 O SER A 21 -18.717 3.933 13.707 1.00 40.13 O ATOM 263 CB SER A 21 -19.457 2.647 11.314 1.00 61.43 C ATOM 264 OG SER A 21 -19.641 2.383 9.934 1.00 71.34 O ATOM 0 H SER A 21 -17.268 1.521 12.938 1.00 64.41 H new ATOM 0 HA SER A 21 -17.542 3.429 10.739 1.00 44.34 H new ATOM 0 HB2 SER A 21 -19.765 1.779 11.897 1.00 61.43 H new ATOM 0 HB3 SER A 21 -20.095 3.477 11.617 1.00 61.43 H new ATOM 0 HG SER A 21 -19.410 1.449 9.746 1.00 71.34 H new ATOM 270 N TRP A 22 -16.968 4.905 12.680 1.00 45.13 N ATOM 271 CA TRP A 22 -16.791 5.924 13.709 1.00 15.53 C ATOM 272 C TRP A 22 -17.611 7.168 13.389 1.00 45.23 C ATOM 273 O TRP A 22 -17.621 7.643 12.253 1.00 43.42 O ATOM 274 CB TRP A 22 -15.313 6.293 13.842 1.00 14.44 C ATOM 275 CG TRP A 22 -14.464 5.167 14.351 1.00 15.52 C ATOM 276 CD1 TRP A 22 -13.687 4.325 13.605 1.00 73.34 C ATOM 277 CD2 TRP A 22 -14.306 4.761 15.714 1.00 11.25 C ATOM 278 NE1 TRP A 22 -13.057 3.419 14.425 1.00 43.24 N ATOM 279 CE2 TRP A 22 -13.419 3.666 15.723 1.00 44.00 C ATOM 280 CE3 TRP A 22 -14.826 5.216 16.929 1.00 1.25 C ATOM 281 CZ2 TRP A 22 -13.045 3.021 16.899 1.00 41.14 C ATOM 282 CZ3 TRP A 22 -14.454 4.575 18.094 1.00 71.22 C ATOM 283 CH2 TRP A 22 -13.569 3.488 18.074 1.00 23.45 C ATOM 0 H TRP A 22 -16.304 4.965 11.908 1.00 45.13 H new ATOM 0 HA TRP A 22 -17.142 5.513 14.656 1.00 15.53 H new ATOM 0 HB2 TRP A 22 -14.936 6.612 12.870 1.00 14.44 H new ATOM 0 HB3 TRP A 22 -15.217 7.144 14.516 1.00 14.44 H new ATOM 0 HD1 TRP A 22 -13.583 4.366 12.531 1.00 73.34 H new ATOM 0 HE1 TRP A 22 -12.423 2.682 14.117 1.00 43.24 H new ATOM 0 HE3 TRP A 22 -15.507 6.054 16.956 1.00 1.25 H new ATOM 0 HZ2 TRP A 22 -12.365 2.182 16.884 1.00 41.14 H new ATOM 0 HZ3 TRP A 22 -14.852 4.917 19.038 1.00 71.22 H new ATOM 0 HH2 TRP A 22 -13.296 3.010 19.003 1.00 23.45 H new ATOM 294 N THR A 23 -18.299 7.695 14.397 1.00 72.31 N ATOM 295 CA THR A 23 -19.123 8.884 14.223 1.00 53.35 C ATOM 296 C THR A 23 -18.554 10.065 15.001 1.00 43.45 C ATOM 297 O THR A 23 -18.718 10.158 16.217 1.00 63.33 O ATOM 298 CB THR A 23 -20.574 8.635 14.678 1.00 74.14 C ATOM 299 OG1 THR A 23 -21.110 7.494 14.001 1.00 0.35 O ATOM 300 CG2 THR A 23 -21.444 9.851 14.402 1.00 51.43 C ATOM 0 H THR A 23 -18.301 7.316 15.344 1.00 72.31 H new ATOM 0 HA THR A 23 -19.120 9.118 13.158 1.00 53.35 H new ATOM 0 HB THR A 23 -20.568 8.450 15.752 1.00 74.14 H new ATOM 0 HG1 THR A 23 -22.032 7.341 14.297 1.00 0.35 H new ATOM 0 HG21 THR A 23 -22.464 9.651 14.732 1.00 51.43 H new ATOM 0 HG22 THR A 23 -21.050 10.711 14.943 1.00 51.43 H new ATOM 0 HG23 THR A 23 -21.443 10.064 13.333 1.00 51.43 H new ATOM 308 N VAL A 24 -17.886 10.969 14.290 1.00 32.12 N ATOM 309 CA VAL A 24 -17.294 12.146 14.913 1.00 62.45 C ATOM 310 C VAL A 24 -18.262 13.324 14.895 1.00 22.20 C ATOM 311 O VAL A 24 -18.855 13.639 13.862 1.00 54.33 O ATOM 312 CB VAL A 24 -15.988 12.559 14.208 1.00 21.31 C ATOM 313 CG1 VAL A 24 -15.278 13.650 14.995 1.00 35.13 C ATOM 314 CG2 VAL A 24 -15.082 11.352 14.017 1.00 23.14 C ATOM 0 H VAL A 24 -17.742 10.908 13.282 1.00 32.12 H new ATOM 0 HA VAL A 24 -17.071 11.878 15.946 1.00 62.45 H new ATOM 0 HB VAL A 24 -16.236 12.958 13.224 1.00 21.31 H new ATOM 0 HG11 VAL A 24 -14.358 13.929 14.482 1.00 35.13 H new ATOM 0 HG12 VAL A 24 -15.927 14.522 15.075 1.00 35.13 H new ATOM 0 HG13 VAL A 24 -15.040 13.282 15.993 1.00 35.13 H new ATOM 0 HG21 VAL A 24 -14.164 11.662 13.518 1.00 23.14 H new ATOM 0 HG22 VAL A 24 -14.839 10.922 14.989 1.00 23.14 H new ATOM 0 HG23 VAL A 24 -15.593 10.606 13.408 1.00 23.14 H new ATOM 324 N LYS A 25 -18.420 13.971 16.045 1.00 24.14 N ATOM 325 CA LYS A 25 -19.316 15.115 16.162 1.00 44.03 C ATOM 326 C LYS A 25 -18.685 16.216 17.009 1.00 61.42 C ATOM 327 O LYS A 25 -18.397 16.015 18.188 1.00 64.25 O ATOM 328 CB LYS A 25 -20.650 14.685 16.777 1.00 22.03 C ATOM 329 CG LYS A 25 -21.742 15.733 16.657 1.00 10.32 C ATOM 330 CD LYS A 25 -22.889 15.246 15.788 1.00 5.32 C ATOM 331 CE LYS A 25 -24.056 14.753 16.631 1.00 1.02 C ATOM 332 NZ LYS A 25 -25.367 15.058 15.995 1.00 31.44 N ATOM 0 H LYS A 25 -17.939 13.722 16.909 1.00 24.14 H new ATOM 0 HA LYS A 25 -19.495 15.508 15.161 1.00 44.03 H new ATOM 0 HB2 LYS A 25 -20.984 13.767 16.293 1.00 22.03 H new ATOM 0 HB3 LYS A 25 -20.496 14.452 17.831 1.00 22.03 H new ATOM 0 HG2 LYS A 25 -22.117 15.984 17.649 1.00 10.32 H new ATOM 0 HG3 LYS A 25 -21.326 16.647 16.233 1.00 10.32 H new ATOM 0 HD2 LYS A 25 -23.224 16.055 15.139 1.00 5.32 H new ATOM 0 HD3 LYS A 25 -22.540 14.441 15.141 1.00 5.32 H new ATOM 0 HE2 LYS A 25 -23.967 13.677 16.781 1.00 1.02 H new ATOM 0 HE3 LYS A 25 -24.014 15.217 17.616 1.00 1.02 H new ATOM 0 HZ1 LYS A 25 -26.136 14.706 16.600 1.00 31.44 H new ATOM 0 HZ2 LYS A 25 -25.464 16.086 15.875 1.00 31.44 H new ATOM 0 HZ3 LYS A 25 -25.418 14.595 15.065 1.00 31.44 H new ATOM 346 N ASN A 26 -18.475 17.379 16.400 1.00 35.15 N ATOM 347 CA ASN A 26 -17.879 18.511 17.100 1.00 13.41 C ATOM 348 C ASN A 26 -18.864 19.672 17.194 1.00 11.11 C ATOM 349 O ASN A 26 -19.504 20.039 16.207 1.00 22.40 O ATOM 350 CB ASN A 26 -16.604 18.964 16.385 1.00 75.15 C ATOM 351 CG ASN A 26 -15.645 17.818 16.131 1.00 54.51 C ATOM 352 OD1 ASN A 26 -14.801 17.502 16.971 1.00 5.25 O ATOM 353 ND2 ASN A 26 -15.769 17.190 14.968 1.00 55.14 N ATOM 0 H ASN A 26 -18.709 17.562 15.424 1.00 35.15 H new ATOM 0 HA ASN A 26 -17.626 18.190 18.111 1.00 13.41 H new ATOM 0 HB2 ASN A 26 -16.869 19.429 15.436 1.00 75.15 H new ATOM 0 HB3 ASN A 26 -16.105 19.725 16.985 1.00 75.15 H new ATOM 0 HD21 ASN A 26 -15.151 16.411 14.740 1.00 55.14 H new ATOM 0 HD22 ASN A 26 -16.483 17.486 14.302 1.00 55.14 H new ATOM 360 N THR A 27 -18.980 20.248 18.386 1.00 31.53 N ATOM 361 CA THR A 27 -19.887 21.367 18.609 1.00 73.44 C ATOM 362 C THR A 27 -19.689 21.965 19.997 1.00 44.01 C ATOM 363 O THR A 27 -19.250 21.283 20.922 1.00 70.11 O ATOM 364 CB THR A 27 -21.357 20.938 18.452 1.00 61.42 C ATOM 365 OG1 THR A 27 -22.220 22.061 18.660 1.00 65.45 O ATOM 366 CG2 THR A 27 -21.708 19.833 19.437 1.00 60.13 C ATOM 0 H THR A 27 -18.457 19.958 19.212 1.00 31.53 H new ATOM 0 HA THR A 27 -19.654 22.119 17.855 1.00 73.44 H new ATOM 0 HB THR A 27 -21.494 20.557 17.440 1.00 61.42 H new ATOM 0 HG1 THR A 27 -23.153 21.780 18.557 1.00 65.45 H new ATOM 0 HG21 THR A 27 -22.752 19.547 19.306 1.00 60.13 H new ATOM 0 HG22 THR A 27 -21.070 18.968 19.256 1.00 60.13 H new ATOM 0 HG23 THR A 27 -21.554 20.191 20.455 1.00 60.13 H new ATOM 374 N GLY A 28 -20.018 23.246 20.137 1.00 23.02 N ATOM 375 CA GLY A 28 -19.871 23.916 21.416 1.00 74.30 C ATOM 376 C GLY A 28 -18.524 24.596 21.562 1.00 43.11 C ATOM 377 O GLY A 28 -18.350 25.470 22.412 1.00 22.31 O ATOM 0 H GLY A 28 -20.384 23.832 19.387 1.00 23.02 H new ATOM 0 HA2 GLY A 28 -20.663 24.657 21.528 1.00 74.30 H new ATOM 0 HA3 GLY A 28 -19.997 23.190 22.220 1.00 74.30 H new ATOM 381 N THR A 29 -17.567 24.195 20.731 1.00 75.13 N ATOM 382 CA THR A 29 -16.228 24.770 20.774 1.00 61.13 C ATOM 383 C THR A 29 -16.057 25.844 19.706 1.00 41.43 C ATOM 384 O THR A 29 -16.918 26.020 18.843 1.00 32.12 O ATOM 385 CB THR A 29 -15.147 23.691 20.577 1.00 54.04 C ATOM 386 OG1 THR A 29 -15.720 22.388 20.738 1.00 41.12 O ATOM 387 CG2 THR A 29 -14.010 23.877 21.572 1.00 32.32 C ATOM 0 H THR A 29 -17.694 23.475 20.020 1.00 75.13 H new ATOM 0 HA THR A 29 -16.108 25.219 21.760 1.00 61.13 H new ATOM 0 HB THR A 29 -14.746 23.789 19.568 1.00 54.04 H new ATOM 0 HG1 THR A 29 -15.027 21.708 20.609 1.00 41.12 H new ATOM 0 HG21 THR A 29 -13.258 23.104 21.414 1.00 32.32 H new ATOM 0 HG22 THR A 29 -13.557 24.858 21.428 1.00 32.32 H new ATOM 0 HG23 THR A 29 -14.399 23.803 22.587 1.00 32.32 H new ATOM 395 N THR A 30 -14.940 26.562 19.769 1.00 13.21 N ATOM 396 CA THR A 30 -14.656 27.620 18.807 1.00 72.33 C ATOM 397 C THR A 30 -14.373 27.046 17.425 1.00 32.03 C ATOM 398 O THR A 30 -14.552 25.850 17.191 1.00 2.14 O ATOM 399 CB THR A 30 -13.454 28.476 19.252 1.00 24.31 C ATOM 400 OG1 THR A 30 -13.058 28.112 20.578 1.00 74.13 O ATOM 401 CG2 THR A 30 -13.799 29.957 19.208 1.00 22.43 C ATOM 0 H THR A 30 -14.217 26.430 20.476 1.00 13.21 H new ATOM 0 HA THR A 30 -15.544 28.250 18.760 1.00 72.33 H new ATOM 0 HB THR A 30 -12.629 28.291 18.564 1.00 24.31 H new ATOM 0 HG1 THR A 30 -12.293 28.659 20.853 1.00 74.13 H new ATOM 0 HG21 THR A 30 -12.936 30.541 19.526 1.00 22.43 H new ATOM 0 HG22 THR A 30 -14.072 30.237 18.190 1.00 22.43 H new ATOM 0 HG23 THR A 30 -14.637 30.155 19.876 1.00 22.43 H new ATOM 409 N SER A 31 -13.928 27.903 16.512 1.00 1.40 N ATOM 410 CA SER A 31 -13.622 27.481 15.150 1.00 20.25 C ATOM 411 C SER A 31 -12.708 26.258 15.153 1.00 24.32 C ATOM 412 O SER A 31 -11.641 26.268 15.767 1.00 42.22 O ATOM 413 CB SER A 31 -12.962 28.622 14.375 1.00 24.40 C ATOM 414 OG SER A 31 -13.752 29.005 13.261 1.00 33.41 O ATOM 0 H SER A 31 -13.771 28.895 16.691 1.00 1.40 H new ATOM 0 HA SER A 31 -14.558 27.213 14.660 1.00 20.25 H new ATOM 0 HB2 SER A 31 -12.818 29.478 15.034 1.00 24.40 H new ATOM 0 HB3 SER A 31 -11.974 28.311 14.035 1.00 24.40 H new ATOM 0 HG SER A 31 -13.310 29.737 12.783 1.00 33.41 H new ATOM 420 N LEU A 32 -13.136 25.206 14.464 1.00 22.12 N ATOM 421 CA LEU A 32 -12.358 23.975 14.385 1.00 33.50 C ATOM 422 C LEU A 32 -11.485 23.961 13.135 1.00 44.30 C ATOM 423 O LEU A 32 -11.509 24.899 12.338 1.00 62.31 O ATOM 424 CB LEU A 32 -13.287 22.760 14.386 1.00 22.35 C ATOM 425 CG LEU A 32 -13.356 21.969 15.693 1.00 5.15 C ATOM 426 CD1 LEU A 32 -11.972 21.488 16.099 1.00 52.12 C ATOM 427 CD2 LEU A 32 -13.975 22.814 16.796 1.00 21.21 C ATOM 0 H LEU A 32 -14.018 25.181 13.952 1.00 22.12 H new ATOM 0 HA LEU A 32 -11.709 23.929 15.259 1.00 33.50 H new ATOM 0 HB2 LEU A 32 -14.293 23.097 14.135 1.00 22.35 H new ATOM 0 HB3 LEU A 32 -12.969 22.084 13.592 1.00 22.35 H new ATOM 0 HG LEU A 32 -13.989 21.096 15.534 1.00 5.15 H new ATOM 0 HD11 LEU A 32 -12.041 20.927 17.031 1.00 52.12 H new ATOM 0 HD12 LEU A 32 -11.567 20.845 15.318 1.00 52.12 H new ATOM 0 HD13 LEU A 32 -11.315 22.346 16.240 1.00 52.12 H new ATOM 0 HD21 LEU A 32 -14.016 22.235 17.718 1.00 21.21 H new ATOM 0 HD22 LEU A 32 -13.369 23.706 16.954 1.00 21.21 H new ATOM 0 HD23 LEU A 32 -14.984 23.107 16.507 1.00 21.21 H new ATOM 439 N SER A 33 -10.716 22.889 12.968 1.00 41.54 N ATOM 440 CA SER A 33 -9.834 22.754 11.815 1.00 13.41 C ATOM 441 C SER A 33 -9.774 21.303 11.344 1.00 70.11 C ATOM 442 O SER A 33 -9.994 21.010 10.169 1.00 45.22 O ATOM 443 CB SER A 33 -8.428 23.248 12.161 1.00 42.31 C ATOM 444 OG SER A 33 -8.316 24.647 11.961 1.00 33.41 O ATOM 0 H SER A 33 -10.686 22.102 13.616 1.00 41.54 H new ATOM 0 HA SER A 33 -10.237 23.364 11.007 1.00 13.41 H new ATOM 0 HB2 SER A 33 -8.199 23.006 13.199 1.00 42.31 H new ATOM 0 HB3 SER A 33 -7.695 22.729 11.544 1.00 42.31 H new ATOM 0 HG SER A 33 -8.218 24.834 11.004 1.00 33.41 H new ATOM 450 N SER A 34 -9.475 20.399 12.271 1.00 74.14 N ATOM 451 CA SER A 34 -9.382 18.980 11.953 1.00 34.34 C ATOM 452 C SER A 34 -9.693 18.125 13.179 1.00 53.42 C ATOM 453 O SER A 34 -9.874 18.645 14.280 1.00 22.22 O ATOM 454 CB SER A 34 -7.986 18.645 11.424 1.00 11.15 C ATOM 455 OG SER A 34 -7.233 17.932 12.390 1.00 54.54 O ATOM 0 H SER A 34 -9.293 20.625 13.249 1.00 74.14 H new ATOM 0 HA SER A 34 -10.119 18.757 11.181 1.00 34.34 H new ATOM 0 HB2 SER A 34 -8.071 18.051 10.514 1.00 11.15 H new ATOM 0 HB3 SER A 34 -7.464 19.564 11.157 1.00 11.15 H new ATOM 0 HG SER A 34 -6.345 17.728 12.028 1.00 54.54 H new ATOM 461 N TRP A 35 -9.751 16.815 12.979 1.00 35.05 N ATOM 462 CA TRP A 35 -10.039 15.887 14.068 1.00 44.10 C ATOM 463 C TRP A 35 -9.179 14.633 13.956 1.00 23.40 C ATOM 464 O TRP A 35 -9.146 13.982 12.912 1.00 1.24 O ATOM 465 CB TRP A 35 -11.521 15.508 14.063 1.00 40.31 C ATOM 466 CG TRP A 35 -12.046 15.180 12.698 1.00 31.13 C ATOM 467 CD1 TRP A 35 -12.581 16.053 11.794 1.00 53.24 C ATOM 468 CD2 TRP A 35 -12.088 13.887 12.083 1.00 54.24 C ATOM 469 NE1 TRP A 35 -12.952 15.380 10.654 1.00 41.44 N ATOM 470 CE2 TRP A 35 -12.659 14.052 10.806 1.00 22.02 C ATOM 471 CE3 TRP A 35 -11.696 12.608 12.486 1.00 54.21 C ATOM 472 CZ2 TRP A 35 -12.849 12.983 9.933 1.00 41.30 C ATOM 473 CZ3 TRP A 35 -11.884 11.549 11.619 1.00 2.52 C ATOM 474 CH2 TRP A 35 -12.455 11.742 10.354 1.00 24.32 C ATOM 0 H TRP A 35 -9.603 16.370 12.073 1.00 35.05 H new ATOM 0 HA TRP A 35 -9.802 16.384 15.009 1.00 44.10 H new ATOM 0 HB2 TRP A 35 -11.671 14.650 14.718 1.00 40.31 H new ATOM 0 HB3 TRP A 35 -12.101 16.332 14.479 1.00 40.31 H new ATOM 0 HD1 TRP A 35 -12.696 17.115 11.951 1.00 53.24 H new ATOM 0 HE1 TRP A 35 -13.377 15.802 9.828 1.00 41.44 H new ATOM 0 HE3 TRP A 35 -11.254 12.450 13.458 1.00 54.21 H new ATOM 0 HZ2 TRP A 35 -13.292 13.129 8.959 1.00 41.30 H new ATOM 0 HZ3 TRP A 35 -11.586 10.556 11.921 1.00 2.52 H new ATOM 0 HH2 TRP A 35 -12.587 10.894 9.698 1.00 24.32 H new ATOM 485 N THR A 36 -8.486 14.297 15.040 1.00 44.40 N ATOM 486 CA THR A 36 -7.626 13.122 15.062 1.00 31.11 C ATOM 487 C THR A 36 -8.159 12.069 16.028 1.00 50.03 C ATOM 488 O THR A 36 -7.995 12.187 17.243 1.00 23.23 O ATOM 489 CB THR A 36 -6.185 13.487 15.465 1.00 70.11 C ATOM 490 OG1 THR A 36 -5.780 14.689 14.800 1.00 0.31 O ATOM 491 CG2 THR A 36 -5.223 12.361 15.117 1.00 1.33 C ATOM 0 H THR A 36 -8.504 14.823 15.914 1.00 44.40 H new ATOM 0 HA THR A 36 -7.621 12.716 14.051 1.00 31.11 H new ATOM 0 HB THR A 36 -6.162 13.643 16.544 1.00 70.11 H new ATOM 0 HG1 THR A 36 -4.863 14.915 15.063 1.00 0.31 H new ATOM 0 HG21 THR A 36 -4.212 12.642 15.411 1.00 1.33 H new ATOM 0 HG22 THR A 36 -5.516 11.455 15.647 1.00 1.33 H new ATOM 0 HG23 THR A 36 -5.251 12.178 14.043 1.00 1.33 H new ATOM 499 N VAL A 37 -8.797 11.040 15.481 1.00 2.14 N ATOM 500 CA VAL A 37 -9.353 9.965 16.293 1.00 31.40 C ATOM 501 C VAL A 37 -8.450 8.737 16.274 1.00 32.11 C ATOM 502 O VAL A 37 -8.248 8.120 15.229 1.00 10.21 O ATOM 503 CB VAL A 37 -10.758 9.562 15.807 1.00 63.04 C ATOM 504 CG1 VAL A 37 -10.735 9.229 14.324 1.00 1.45 C ATOM 505 CG2 VAL A 37 -11.286 8.388 16.617 1.00 22.32 C ATOM 0 H VAL A 37 -8.942 10.928 14.478 1.00 2.14 H new ATOM 0 HA VAL A 37 -9.424 10.345 17.312 1.00 31.40 H new ATOM 0 HB VAL A 37 -11.430 10.407 15.955 1.00 63.04 H new ATOM 0 HG11 VAL A 37 -11.736 8.947 13.999 1.00 1.45 H new ATOM 0 HG12 VAL A 37 -10.403 10.101 13.760 1.00 1.45 H new ATOM 0 HG13 VAL A 37 -10.049 8.400 14.148 1.00 1.45 H new ATOM 0 HG21 VAL A 37 -12.280 8.117 16.260 1.00 22.32 H new ATOM 0 HG22 VAL A 37 -10.615 7.537 16.504 1.00 22.32 H new ATOM 0 HG23 VAL A 37 -11.343 8.668 17.669 1.00 22.32 H new ATOM 515 N GLU A 38 -7.909 8.388 17.437 1.00 60.23 N ATOM 516 CA GLU A 38 -7.026 7.233 17.552 1.00 23.50 C ATOM 517 C GLU A 38 -7.433 6.353 18.730 1.00 20.44 C ATOM 518 O GLU A 38 -7.994 6.835 19.714 1.00 34.22 O ATOM 519 CB GLU A 38 -5.574 7.688 17.719 1.00 21.44 C ATOM 520 CG GLU A 38 -5.410 9.198 17.757 1.00 74.30 C ATOM 521 CD GLU A 38 -5.939 9.810 19.041 1.00 50.31 C ATOM 522 OE1 GLU A 38 -5.769 9.188 20.110 1.00 12.24 O ATOM 523 OE2 GLU A 38 -6.522 10.913 18.975 1.00 15.22 O ATOM 0 H GLU A 38 -8.066 8.888 18.312 1.00 60.23 H new ATOM 0 HA GLU A 38 -7.113 6.648 16.636 1.00 23.50 H new ATOM 0 HB2 GLU A 38 -5.173 7.264 18.640 1.00 21.44 H new ATOM 0 HB3 GLU A 38 -4.980 7.287 16.898 1.00 21.44 H new ATOM 0 HG2 GLU A 38 -4.355 9.448 17.647 1.00 74.30 H new ATOM 0 HG3 GLU A 38 -5.932 9.638 16.907 1.00 74.30 H new ATOM 530 N TRP A 39 -7.149 5.060 18.620 1.00 64.43 N ATOM 531 CA TRP A 39 -7.486 4.111 19.675 1.00 33.11 C ATOM 532 C TRP A 39 -6.454 2.992 19.751 1.00 31.33 C ATOM 533 O TRP A 39 -5.601 2.860 18.872 1.00 61.54 O ATOM 534 CB TRP A 39 -8.878 3.523 19.434 1.00 74.32 C ATOM 535 CG TRP A 39 -9.535 4.042 18.192 1.00 72.31 C ATOM 536 CD1 TRP A 39 -10.582 4.917 18.123 1.00 34.24 C ATOM 537 CD2 TRP A 39 -9.192 3.717 16.841 1.00 42.42 C ATOM 538 NE1 TRP A 39 -10.910 5.155 16.810 1.00 52.44 N ATOM 539 CE2 TRP A 39 -10.071 4.431 16.004 1.00 45.14 C ATOM 540 CE3 TRP A 39 -8.225 2.894 16.256 1.00 61.43 C ATOM 541 CZ2 TRP A 39 -10.011 4.346 14.616 1.00 23.33 C ATOM 542 CZ3 TRP A 39 -8.168 2.809 14.879 1.00 2.41 C ATOM 543 CH2 TRP A 39 -9.056 3.532 14.071 1.00 5.51 C ATOM 0 H TRP A 39 -6.686 4.645 17.811 1.00 64.43 H new ATOM 0 HA TRP A 39 -7.484 4.646 20.625 1.00 33.11 H new ATOM 0 HB2 TRP A 39 -8.800 2.438 19.369 1.00 74.32 H new ATOM 0 HB3 TRP A 39 -9.512 3.746 20.292 1.00 74.32 H new ATOM 0 HD1 TRP A 39 -11.079 5.357 18.975 1.00 34.24 H new ATOM 0 HE1 TRP A 39 -11.657 5.771 16.488 1.00 52.44 H new ATOM 0 HE3 TRP A 39 -7.535 2.335 16.870 1.00 61.43 H new ATOM 0 HZ2 TRP A 39 -10.694 4.903 13.992 1.00 23.33 H new ATOM 0 HZ3 TRP A 39 -7.426 2.174 14.417 1.00 2.41 H new ATOM 0 HH2 TRP A 39 -8.985 3.445 12.997 1.00 5.51 H new ATOM 554 N ASP A 40 -6.536 2.188 20.805 1.00 42.01 N ATOM 555 CA ASP A 40 -5.609 1.079 20.995 1.00 35.10 C ATOM 556 C ASP A 40 -6.227 -0.234 20.523 1.00 11.31 C ATOM 557 O ASP A 40 -7.338 -0.587 20.920 1.00 41.12 O ATOM 558 CB ASP A 40 -5.207 0.966 22.467 1.00 40.43 C ATOM 559 CG ASP A 40 -3.725 0.696 22.643 1.00 63.14 C ATOM 560 OD1 ASP A 40 -3.323 -0.483 22.556 1.00 23.21 O ATOM 561 OD2 ASP A 40 -2.969 1.662 22.868 1.00 42.45 O ATOM 0 H ASP A 40 -7.235 2.284 21.541 1.00 42.01 H new ATOM 0 HA ASP A 40 -4.719 1.277 20.398 1.00 35.10 H new ATOM 0 HB2 ASP A 40 -5.469 1.889 22.984 1.00 40.43 H new ATOM 0 HB3 ASP A 40 -5.778 0.165 22.936 1.00 40.43 H new ATOM 566 N PHE A 41 -5.501 -0.952 19.672 1.00 43.04 N ATOM 567 CA PHE A 41 -5.980 -2.224 19.144 1.00 31.24 C ATOM 568 C PHE A 41 -5.136 -3.382 19.668 1.00 0.23 C ATOM 569 O PHE A 41 -4.281 -3.927 18.968 1.00 72.25 O ATOM 570 CB PHE A 41 -5.950 -2.209 17.614 1.00 65.44 C ATOM 571 CG PHE A 41 -7.250 -1.781 16.994 1.00 51.13 C ATOM 572 CD1 PHE A 41 -8.453 -2.304 17.443 1.00 53.50 C ATOM 573 CD2 PHE A 41 -7.270 -0.856 15.962 1.00 74.24 C ATOM 574 CE1 PHE A 41 -9.649 -1.911 16.874 1.00 21.54 C ATOM 575 CE2 PHE A 41 -8.463 -0.460 15.391 1.00 62.14 C ATOM 576 CZ PHE A 41 -9.656 -0.990 15.846 1.00 53.24 C ATOM 0 H PHE A 41 -4.580 -0.675 19.334 1.00 43.04 H new ATOM 0 HA PHE A 41 -7.008 -2.364 19.479 1.00 31.24 H new ATOM 0 HB2 PHE A 41 -5.159 -1.537 17.280 1.00 65.44 H new ATOM 0 HB3 PHE A 41 -5.695 -3.206 17.254 1.00 65.44 H new ATOM 0 HD1 PHE A 41 -8.455 -3.026 18.246 1.00 53.50 H new ATOM 0 HD2 PHE A 41 -6.341 -0.440 15.600 1.00 74.24 H new ATOM 0 HE1 PHE A 41 -10.579 -2.325 17.234 1.00 21.54 H new ATOM 0 HE2 PHE A 41 -8.464 0.264 14.589 1.00 62.14 H new ATOM 0 HZ PHE A 41 -10.590 -0.684 15.399 1.00 53.24 H new ATOM 586 N PRO A 42 -5.380 -3.768 20.929 1.00 63.51 N ATOM 587 CA PRO A 42 -4.653 -4.865 21.577 1.00 4.44 C ATOM 588 C PRO A 42 -5.012 -6.225 20.986 1.00 63.15 C ATOM 589 O PRO A 42 -4.133 -7.013 20.636 1.00 63.20 O ATOM 590 CB PRO A 42 -5.108 -4.778 23.035 1.00 75.12 C ATOM 591 CG PRO A 42 -6.443 -4.121 22.979 1.00 60.14 C ATOM 592 CD PRO A 42 -6.385 -3.164 21.820 1.00 75.44 C ATOM 0 HA PRO A 42 -3.575 -4.774 21.447 1.00 4.44 H new ATOM 0 HB2 PRO A 42 -5.173 -5.767 23.489 1.00 75.12 H new ATOM 0 HB3 PRO A 42 -4.406 -4.198 23.634 1.00 75.12 H new ATOM 0 HG2 PRO A 42 -7.235 -4.857 22.838 1.00 60.14 H new ATOM 0 HG3 PRO A 42 -6.659 -3.595 23.909 1.00 60.14 H new ATOM 0 HD2 PRO A 42 -7.353 -3.069 21.328 1.00 75.44 H new ATOM 0 HD3 PRO A 42 -6.090 -2.164 22.139 1.00 75.44 H new ATOM 600 N THR A 43 -6.310 -6.495 20.880 1.00 71.14 N ATOM 601 CA THR A 43 -6.784 -7.760 20.334 1.00 3.55 C ATOM 602 C THR A 43 -6.557 -7.829 18.828 1.00 11.24 C ATOM 603 O THR A 43 -6.651 -6.821 18.129 1.00 42.15 O ATOM 604 CB THR A 43 -8.282 -7.971 20.626 1.00 3.53 C ATOM 605 OG1 THR A 43 -8.539 -7.789 22.022 1.00 43.03 O ATOM 606 CG2 THR A 43 -8.725 -9.363 20.200 1.00 13.20 C ATOM 0 H THR A 43 -7.051 -5.854 21.165 1.00 71.14 H new ATOM 0 HA THR A 43 -6.211 -8.549 20.821 1.00 3.55 H new ATOM 0 HB THR A 43 -8.849 -7.236 20.054 1.00 3.53 H new ATOM 0 HG1 THR A 43 -9.493 -7.923 22.199 1.00 43.03 H new ATOM 0 HG21 THR A 43 -9.786 -9.489 20.416 1.00 13.20 H new ATOM 0 HG22 THR A 43 -8.555 -9.488 19.131 1.00 13.20 H new ATOM 0 HG23 THR A 43 -8.152 -10.111 20.748 1.00 13.20 H new ATOM 614 N GLY A 44 -6.257 -9.026 18.333 1.00 31.13 N ATOM 615 CA GLY A 44 -6.021 -9.204 16.912 1.00 24.21 C ATOM 616 C GLY A 44 -6.922 -8.330 16.062 1.00 42.31 C ATOM 617 O GLY A 44 -8.080 -8.669 15.816 1.00 70.21 O ATOM 0 H GLY A 44 -6.173 -9.876 18.891 1.00 31.13 H new ATOM 0 HA2 GLY A 44 -4.979 -8.974 16.688 1.00 24.21 H new ATOM 0 HA3 GLY A 44 -6.180 -10.250 16.648 1.00 24.21 H new ATOM 621 N THR A 45 -6.390 -7.197 15.611 1.00 32.23 N ATOM 622 CA THR A 45 -7.153 -6.270 14.785 1.00 71.24 C ATOM 623 C THR A 45 -6.233 -5.426 13.912 1.00 13.44 C ATOM 624 O THR A 45 -5.073 -5.194 14.255 1.00 71.01 O ATOM 625 CB THR A 45 -8.023 -5.335 15.648 1.00 1.24 C ATOM 626 OG1 THR A 45 -7.249 -4.806 16.729 1.00 34.31 O ATOM 627 CG2 THR A 45 -9.233 -6.076 16.197 1.00 50.10 C ATOM 0 H THR A 45 -5.434 -6.900 15.804 1.00 32.23 H new ATOM 0 HA THR A 45 -7.800 -6.873 14.148 1.00 71.24 H new ATOM 0 HB THR A 45 -8.373 -4.517 15.019 1.00 1.24 H new ATOM 0 HG1 THR A 45 -7.563 -3.903 16.945 1.00 34.31 H new ATOM 0 HG21 THR A 45 -9.832 -5.396 16.803 1.00 50.10 H new ATOM 0 HG22 THR A 45 -9.836 -6.452 15.370 1.00 50.10 H new ATOM 0 HG23 THR A 45 -8.900 -6.912 16.812 1.00 50.10 H new ATOM 635 N LYS A 46 -6.755 -4.968 12.779 1.00 20.33 N ATOM 636 CA LYS A 46 -5.981 -4.147 11.855 1.00 22.41 C ATOM 637 C LYS A 46 -6.859 -3.632 10.719 1.00 74.02 C ATOM 638 O LYS A 46 -7.587 -4.397 10.087 1.00 22.44 O ATOM 639 CB LYS A 46 -4.810 -4.951 11.285 1.00 23.25 C ATOM 640 CG LYS A 46 -5.235 -6.225 10.575 1.00 23.30 C ATOM 641 CD LYS A 46 -4.599 -7.452 11.205 1.00 31.34 C ATOM 642 CE LYS A 46 -3.189 -7.679 10.682 1.00 14.13 C ATOM 643 NZ LYS A 46 -3.150 -8.731 9.628 1.00 74.30 N ATOM 0 H LYS A 46 -7.712 -5.152 12.478 1.00 20.33 H new ATOM 0 HA LYS A 46 -5.592 -3.291 12.406 1.00 22.41 H new ATOM 0 HB2 LYS A 46 -4.255 -4.324 10.587 1.00 23.25 H new ATOM 0 HB3 LYS A 46 -4.127 -5.207 12.095 1.00 23.25 H new ATOM 0 HG2 LYS A 46 -6.320 -6.318 10.610 1.00 23.30 H new ATOM 0 HG3 LYS A 46 -4.954 -6.168 9.523 1.00 23.30 H new ATOM 0 HD2 LYS A 46 -4.572 -7.334 12.288 1.00 31.34 H new ATOM 0 HD3 LYS A 46 -5.212 -8.329 10.996 1.00 31.34 H new ATOM 0 HE2 LYS A 46 -2.797 -6.746 10.278 1.00 14.13 H new ATOM 0 HE3 LYS A 46 -2.538 -7.967 11.507 1.00 14.13 H new ATOM 0 HZ1 LYS A 46 -2.172 -8.856 9.298 1.00 74.30 H new ATOM 0 HZ2 LYS A 46 -3.500 -9.628 10.020 1.00 74.30 H new ATOM 0 HZ3 LYS A 46 -3.751 -8.444 8.829 1.00 74.30 H new ATOM 657 N VAL A 47 -6.783 -2.330 10.463 1.00 40.34 N ATOM 658 CA VAL A 47 -7.569 -1.713 9.401 1.00 21.22 C ATOM 659 C VAL A 47 -6.931 -1.949 8.036 1.00 33.34 C ATOM 660 O VAL A 47 -6.023 -1.225 7.629 1.00 54.53 O ATOM 661 CB VAL A 47 -7.725 -0.197 9.627 1.00 4.41 C ATOM 662 CG1 VAL A 47 -8.476 0.441 8.467 1.00 55.14 C ATOM 663 CG2 VAL A 47 -8.432 0.074 10.945 1.00 65.34 C ATOM 0 H VAL A 47 -6.185 -1.682 10.976 1.00 40.34 H new ATOM 0 HA VAL A 47 -8.554 -2.180 9.424 1.00 21.22 H new ATOM 0 HB VAL A 47 -6.732 0.251 9.675 1.00 4.41 H new ATOM 0 HG11 VAL A 47 -8.577 1.512 8.644 1.00 55.14 H new ATOM 0 HG12 VAL A 47 -7.924 0.276 7.542 1.00 55.14 H new ATOM 0 HG13 VAL A 47 -9.466 -0.008 8.384 1.00 55.14 H new ATOM 0 HG21 VAL A 47 -8.534 1.150 11.089 1.00 65.34 H new ATOM 0 HG22 VAL A 47 -9.420 -0.385 10.929 1.00 65.34 H new ATOM 0 HG23 VAL A 47 -7.849 -0.348 11.764 1.00 65.34 H new ATOM 673 N THR A 48 -7.412 -2.970 7.333 1.00 54.31 N ATOM 674 CA THR A 48 -6.888 -3.303 6.014 1.00 23.34 C ATOM 675 C THR A 48 -7.139 -2.175 5.021 1.00 44.24 C ATOM 676 O THR A 48 -6.276 -1.847 4.208 1.00 54.12 O ATOM 677 CB THR A 48 -7.518 -4.600 5.471 1.00 60.02 C ATOM 678 OG1 THR A 48 -7.027 -4.869 4.153 1.00 75.52 O ATOM 679 CG2 THR A 48 -9.036 -4.491 5.439 1.00 33.33 C ATOM 0 H THR A 48 -8.163 -3.580 7.655 1.00 54.31 H new ATOM 0 HA THR A 48 -5.814 -3.449 6.128 1.00 23.34 H new ATOM 0 HB THR A 48 -7.241 -5.418 6.135 1.00 60.02 H new ATOM 0 HG1 THR A 48 -7.431 -5.696 3.816 1.00 75.52 H new ATOM 0 HG21 THR A 48 -9.459 -5.418 5.052 1.00 33.33 H new ATOM 0 HG22 THR A 48 -9.409 -4.315 6.448 1.00 33.33 H new ATOM 0 HG23 THR A 48 -9.328 -3.662 4.794 1.00 33.33 H new ATOM 687 N SER A 49 -8.327 -1.583 5.093 1.00 63.21 N ATOM 688 CA SER A 49 -8.693 -0.492 4.198 1.00 43.32 C ATOM 689 C SER A 49 -9.573 0.528 4.915 1.00 42.25 C ATOM 690 O SER A 49 -10.349 0.179 5.803 1.00 62.20 O ATOM 691 CB SER A 49 -9.423 -1.036 2.969 1.00 2.34 C ATOM 692 OG SER A 49 -8.512 -1.604 2.044 1.00 61.02 O ATOM 0 H SER A 49 -9.052 -1.841 5.762 1.00 63.21 H new ATOM 0 HA SER A 49 -7.777 0.005 3.878 1.00 43.32 H new ATOM 0 HB2 SER A 49 -10.149 -1.788 3.277 1.00 2.34 H new ATOM 0 HB3 SER A 49 -9.981 -0.232 2.488 1.00 2.34 H new ATOM 0 HG SER A 49 -7.626 -1.673 2.458 1.00 61.02 H new ATOM 698 N ALA A 50 -9.444 1.792 4.523 1.00 34.44 N ATOM 699 CA ALA A 50 -10.227 2.862 5.126 1.00 52.44 C ATOM 700 C ALA A 50 -10.622 3.906 4.086 1.00 21.11 C ATOM 701 O ALA A 50 -9.985 4.026 3.041 1.00 52.54 O ATOM 702 CB ALA A 50 -9.447 3.513 6.259 1.00 44.30 C ATOM 0 H ALA A 50 -8.804 2.099 3.790 1.00 34.44 H new ATOM 0 HA ALA A 50 -11.140 2.426 5.531 1.00 52.44 H new ATOM 0 HB1 ALA A 50 -10.044 4.311 6.700 1.00 44.30 H new ATOM 0 HB2 ALA A 50 -9.219 2.767 7.020 1.00 44.30 H new ATOM 0 HB3 ALA A 50 -8.518 3.929 5.869 1.00 44.30 H new ATOM 708 N TRP A 51 -11.678 4.656 4.380 1.00 21.33 N ATOM 709 CA TRP A 51 -12.159 5.688 3.470 1.00 1.51 C ATOM 710 C TRP A 51 -12.642 6.912 4.240 1.00 72.22 C ATOM 711 O TRP A 51 -13.228 6.787 5.316 1.00 41.45 O ATOM 712 CB TRP A 51 -13.289 5.141 2.596 1.00 63.11 C ATOM 713 CG TRP A 51 -14.354 4.433 3.378 1.00 45.10 C ATOM 714 CD1 TRP A 51 -15.301 5.006 4.179 1.00 15.02 C ATOM 715 CD2 TRP A 51 -14.579 3.020 3.434 1.00 51.21 C ATOM 716 NE1 TRP A 51 -16.100 4.033 4.729 1.00 21.31 N ATOM 717 CE2 TRP A 51 -15.679 2.807 4.288 1.00 54.24 C ATOM 718 CE3 TRP A 51 -13.959 1.914 2.845 1.00 61.21 C ATOM 719 CZ2 TRP A 51 -16.169 1.534 4.566 1.00 71.31 C ATOM 720 CZ3 TRP A 51 -14.447 0.651 3.123 1.00 53.45 C ATOM 721 CH2 TRP A 51 -15.543 0.470 3.976 1.00 22.23 C ATOM 0 H TRP A 51 -12.217 4.568 5.241 1.00 21.33 H new ATOM 0 HA TRP A 51 -11.329 5.989 2.831 1.00 1.51 H new ATOM 0 HB2 TRP A 51 -13.741 5.964 2.042 1.00 63.11 H new ATOM 0 HB3 TRP A 51 -12.870 4.454 1.861 1.00 63.11 H new ATOM 0 HD1 TRP A 51 -15.406 6.067 4.354 1.00 15.02 H new ATOM 0 HE1 TRP A 51 -16.881 4.198 5.364 1.00 21.31 H new ATOM 0 HE3 TRP A 51 -13.114 2.044 2.185 1.00 61.21 H new ATOM 0 HZ2 TRP A 51 -17.013 1.391 5.224 1.00 71.31 H new ATOM 0 HZ3 TRP A 51 -13.975 -0.211 2.675 1.00 53.45 H new ATOM 0 HH2 TRP A 51 -15.901 -0.530 4.172 1.00 22.23 H new ATOM 732 N ASP A 52 -12.394 8.092 3.684 1.00 54.24 N ATOM 733 CA ASP A 52 -12.805 9.339 4.319 1.00 53.13 C ATOM 734 C ASP A 52 -12.072 9.542 5.642 1.00 41.32 C ATOM 735 O ASP A 52 -12.457 10.384 6.453 1.00 52.10 O ATOM 736 CB ASP A 52 -14.316 9.342 4.553 1.00 65.11 C ATOM 737 CG ASP A 52 -14.967 10.641 4.116 1.00 34.11 C ATOM 738 OD1 ASP A 52 -14.921 11.617 4.892 1.00 65.44 O ATOM 739 OD2 ASP A 52 -15.520 10.680 2.998 1.00 13.24 O ATOM 0 H ASP A 52 -11.910 8.212 2.794 1.00 54.24 H new ATOM 0 HA ASP A 52 -12.547 10.161 3.651 1.00 53.13 H new ATOM 0 HB2 ASP A 52 -14.767 8.512 4.009 1.00 65.11 H new ATOM 0 HB3 ASP A 52 -14.517 9.176 5.611 1.00 65.11 H new ATOM 744 N ALA A 53 -11.014 8.765 5.852 1.00 65.32 N ATOM 745 CA ALA A 53 -10.228 8.861 7.076 1.00 4.04 C ATOM 746 C ALA A 53 -8.978 7.991 6.994 1.00 5.32 C ATOM 747 O ALA A 53 -9.021 6.795 7.285 1.00 51.02 O ATOM 748 CB ALA A 53 -11.072 8.464 8.277 1.00 75.35 C ATOM 0 H ALA A 53 -10.682 8.063 5.191 1.00 65.32 H new ATOM 0 HA ALA A 53 -9.911 9.897 7.196 1.00 4.04 H new ATOM 0 HB1 ALA A 53 -10.473 8.540 9.184 1.00 75.35 H new ATOM 0 HB2 ALA A 53 -11.932 9.129 8.353 1.00 75.35 H new ATOM 0 HB3 ALA A 53 -11.417 7.437 8.156 1.00 75.35 H new ATOM 754 N THR A 54 -7.865 8.598 6.595 1.00 4.13 N ATOM 755 CA THR A 54 -6.604 7.878 6.472 1.00 54.24 C ATOM 756 C THR A 54 -6.220 7.214 7.789 1.00 50.22 C ATOM 757 O THR A 54 -5.690 7.862 8.692 1.00 23.01 O ATOM 758 CB THR A 54 -5.463 8.816 6.031 1.00 74.33 C ATOM 759 OG1 THR A 54 -5.795 9.440 4.786 1.00 72.14 O ATOM 760 CG2 THR A 54 -4.158 8.048 5.887 1.00 11.13 C ATOM 0 H THR A 54 -7.811 9.587 6.351 1.00 4.13 H new ATOM 0 HA THR A 54 -6.750 7.112 5.711 1.00 54.24 H new ATOM 0 HB THR A 54 -5.334 9.581 6.797 1.00 74.33 H new ATOM 0 HG1 THR A 54 -5.066 10.035 4.514 1.00 72.14 H new ATOM 0 HG21 THR A 54 -3.367 8.730 5.575 1.00 11.13 H new ATOM 0 HG22 THR A 54 -3.893 7.598 6.844 1.00 11.13 H new ATOM 0 HG23 THR A 54 -4.278 7.265 5.139 1.00 11.13 H new ATOM 768 N VAL A 55 -6.490 5.917 7.893 1.00 72.13 N ATOM 769 CA VAL A 55 -6.171 5.163 9.100 1.00 2.20 C ATOM 770 C VAL A 55 -4.771 4.564 9.019 1.00 62.31 C ATOM 771 O VAL A 55 -4.465 3.790 8.111 1.00 65.22 O ATOM 772 CB VAL A 55 -7.188 4.033 9.341 1.00 22.11 C ATOM 773 CG1 VAL A 55 -6.814 3.233 10.580 1.00 24.13 C ATOM 774 CG2 VAL A 55 -8.594 4.600 9.468 1.00 64.00 C ATOM 0 H VAL A 55 -6.929 5.366 7.156 1.00 72.13 H new ATOM 0 HA VAL A 55 -6.215 5.865 9.933 1.00 2.20 H new ATOM 0 HB VAL A 55 -7.168 3.361 8.483 1.00 22.11 H new ATOM 0 HG11 VAL A 55 -7.544 2.439 10.734 1.00 24.13 H new ATOM 0 HG12 VAL A 55 -5.825 2.795 10.446 1.00 24.13 H new ATOM 0 HG13 VAL A 55 -6.805 3.891 11.449 1.00 24.13 H new ATOM 0 HG21 VAL A 55 -9.300 3.787 9.638 1.00 64.00 H new ATOM 0 HG22 VAL A 55 -8.632 5.295 10.307 1.00 64.00 H new ATOM 0 HG23 VAL A 55 -8.859 5.125 8.550 1.00 64.00 H new ATOM 784 N THR A 56 -3.922 4.926 9.977 1.00 22.43 N ATOM 785 CA THR A 56 -2.555 4.425 10.015 1.00 32.25 C ATOM 786 C THR A 56 -2.345 3.490 11.200 1.00 74.14 C ATOM 787 O THR A 56 -3.215 3.356 12.059 1.00 22.53 O ATOM 788 CB THR A 56 -1.536 5.577 10.098 1.00 41.51 C ATOM 789 OG1 THR A 56 -0.208 5.070 9.922 1.00 44.14 O ATOM 790 CG2 THR A 56 -1.639 6.295 11.435 1.00 13.12 C ATOM 0 H THR A 56 -4.158 5.565 10.736 1.00 22.43 H new ATOM 0 HA THR A 56 -2.395 3.874 9.088 1.00 32.25 H new ATOM 0 HB THR A 56 -1.760 6.289 9.304 1.00 41.51 H new ATOM 0 HG1 THR A 56 0.434 5.809 9.974 1.00 44.14 H new ATOM 0 HG21 THR A 56 -0.910 7.104 11.470 1.00 13.12 H new ATOM 0 HG22 THR A 56 -2.642 6.705 11.551 1.00 13.12 H new ATOM 0 HG23 THR A 56 -1.439 5.591 12.243 1.00 13.12 H new ATOM 798 N ASN A 57 -1.183 2.846 11.241 1.00 74.01 N ATOM 799 CA ASN A 57 -0.858 1.923 12.323 1.00 20.21 C ATOM 800 C ASN A 57 0.538 2.199 12.874 1.00 21.24 C ATOM 801 O ASN A 57 1.394 2.746 12.177 1.00 32.44 O ATOM 802 CB ASN A 57 -0.948 0.476 11.832 1.00 54.23 C ATOM 803 CG ASN A 57 0.334 0.011 11.169 1.00 34.33 C ATOM 804 OD1 ASN A 57 0.587 0.310 10.002 1.00 50.32 O ATOM 805 ND2 ASN A 57 1.150 -0.728 11.913 1.00 22.04 N ATOM 0 H ASN A 57 -0.451 2.946 10.538 1.00 74.01 H new ATOM 0 HA ASN A 57 -1.581 2.074 13.124 1.00 20.21 H new ATOM 0 HB2 ASN A 57 -1.176 -0.177 12.674 1.00 54.23 H new ATOM 0 HB3 ASN A 57 -1.773 0.385 11.126 1.00 54.23 H new ATOM 0 HD21 ASN A 57 2.027 -1.072 11.521 1.00 22.04 H new ATOM 0 HD22 ASN A 57 0.900 -0.952 12.876 1.00 22.04 H new ATOM 812 N SER A 58 0.760 1.816 14.127 1.00 50.43 N ATOM 813 CA SER A 58 2.052 2.025 14.772 1.00 3.21 C ATOM 814 C SER A 58 2.228 1.076 15.954 1.00 52.13 C ATOM 815 O SER A 58 1.935 1.428 17.096 1.00 55.34 O ATOM 816 CB SER A 58 2.181 3.475 15.243 1.00 74.42 C ATOM 817 OG SER A 58 2.850 4.267 14.277 1.00 73.44 O ATOM 0 H SER A 58 0.063 1.360 14.716 1.00 50.43 H new ATOM 0 HA SER A 58 2.834 1.817 14.042 1.00 3.21 H new ATOM 0 HB2 SER A 58 1.191 3.888 15.434 1.00 74.42 H new ATOM 0 HB3 SER A 58 2.727 3.507 16.186 1.00 74.42 H new ATOM 0 HG SER A 58 2.581 3.984 13.378 1.00 73.44 H new ATOM 823 N GLY A 59 2.709 -0.130 15.669 1.00 30.32 N ATOM 824 CA GLY A 59 2.917 -1.111 16.718 1.00 13.14 C ATOM 825 C GLY A 59 1.619 -1.737 17.191 1.00 75.23 C ATOM 826 O GLY A 59 1.148 -2.717 16.613 1.00 73.43 O ATOM 0 H GLY A 59 2.958 -0.445 14.731 1.00 30.32 H new ATOM 0 HA2 GLY A 59 3.582 -1.893 16.353 1.00 13.14 H new ATOM 0 HA3 GLY A 59 3.417 -0.636 17.562 1.00 13.14 H new ATOM 830 N ASP A 60 1.042 -1.171 18.246 1.00 74.40 N ATOM 831 CA ASP A 60 -0.208 -1.681 18.798 1.00 42.53 C ATOM 832 C ASP A 60 -1.250 -0.571 18.895 1.00 3.21 C ATOM 833 O ASP A 60 -2.305 -0.747 19.506 1.00 15.51 O ATOM 834 CB ASP A 60 0.032 -2.295 20.178 1.00 71.11 C ATOM 835 CG ASP A 60 0.596 -3.699 20.097 1.00 25.34 C ATOM 836 OD1 ASP A 60 -0.079 -4.578 19.518 1.00 60.55 O ATOM 837 OD2 ASP A 60 1.713 -3.920 20.609 1.00 20.42 O ATOM 0 H ASP A 60 1.420 -0.360 18.735 1.00 74.40 H new ATOM 0 HA ASP A 60 -0.586 -2.453 18.127 1.00 42.53 H new ATOM 0 HB2 ASP A 60 0.720 -1.662 20.739 1.00 71.11 H new ATOM 0 HB3 ASP A 60 -0.907 -2.315 20.732 1.00 71.11 H new ATOM 842 N HIS A 61 -0.948 0.574 18.290 1.00 14.34 N ATOM 843 CA HIS A 61 -1.858 1.712 18.308 1.00 53.43 C ATOM 844 C HIS A 61 -2.180 2.173 16.890 1.00 45.43 C ATOM 845 O HIS A 61 -1.342 2.085 15.992 1.00 75.33 O ATOM 846 CB HIS A 61 -1.249 2.866 19.106 1.00 63.22 C ATOM 847 CG HIS A 61 -2.054 4.127 19.045 1.00 44.43 C ATOM 848 ND1 HIS A 61 -2.884 4.542 20.065 1.00 1.13 N ATOM 849 CD2 HIS A 61 -2.151 5.069 18.076 1.00 73.43 C ATOM 850 CE1 HIS A 61 -3.458 5.683 19.727 1.00 11.42 C ATOM 851 NE2 HIS A 61 -3.030 6.024 18.525 1.00 42.41 N ATOM 0 H HIS A 61 -0.079 0.737 17.781 1.00 14.34 H new ATOM 0 HA HIS A 61 -2.785 1.397 18.788 1.00 53.43 H new ATOM 0 HB2 HIS A 61 -1.145 2.561 20.147 1.00 63.22 H new ATOM 0 HB3 HIS A 61 -0.246 3.067 18.731 1.00 63.22 H new ATOM 0 HD1 HIS A 61 -3.032 4.045 20.944 1.00 1.13 H new ATOM 0 HD2 HIS A 61 -1.634 5.069 17.128 1.00 73.43 H new ATOM 0 HE1 HIS A 61 -4.158 6.242 20.331 1.00 11.42 H new ATOM 859 N TRP A 62 -3.399 2.666 16.696 1.00 73.21 N ATOM 860 CA TRP A 62 -3.832 3.140 15.387 1.00 15.52 C ATOM 861 C TRP A 62 -4.396 4.553 15.478 1.00 65.23 C ATOM 862 O TRP A 62 -4.787 5.008 16.554 1.00 62.42 O ATOM 863 CB TRP A 62 -4.882 2.195 14.800 1.00 34.02 C ATOM 864 CG TRP A 62 -4.328 0.856 14.417 1.00 73.34 C ATOM 865 CD1 TRP A 62 -3.831 -0.097 15.261 1.00 11.44 C ATOM 866 CD2 TRP A 62 -4.214 0.322 13.094 1.00 14.33 C ATOM 867 NE1 TRP A 62 -3.415 -1.191 14.540 1.00 75.32 N ATOM 868 CE2 TRP A 62 -3.639 -0.959 13.209 1.00 62.23 C ATOM 869 CE3 TRP A 62 -4.543 0.801 11.823 1.00 34.12 C ATOM 870 CZ2 TRP A 62 -3.387 -1.764 12.101 1.00 44.23 C ATOM 871 CZ3 TRP A 62 -4.292 0.001 10.725 1.00 54.52 C ATOM 872 CH2 TRP A 62 -3.719 -1.269 10.869 1.00 31.43 C ATOM 0 H TRP A 62 -4.104 2.748 17.429 1.00 73.21 H new ATOM 0 HA TRP A 62 -2.962 3.158 14.730 1.00 15.52 H new ATOM 0 HB2 TRP A 62 -5.682 2.055 15.527 1.00 34.02 H new ATOM 0 HB3 TRP A 62 -5.329 2.660 13.921 1.00 34.02 H new ATOM 0 HD1 TRP A 62 -3.774 -0.004 16.335 1.00 11.44 H new ATOM 0 HE1 TRP A 62 -3.006 -2.039 14.933 1.00 75.32 H new ATOM 0 HE3 TRP A 62 -4.985 1.779 11.701 1.00 34.12 H new ATOM 0 HZ2 TRP A 62 -2.945 -2.744 12.210 1.00 44.23 H new ATOM 0 HZ3 TRP A 62 -4.542 0.361 9.738 1.00 54.52 H new ATOM 0 HH2 TRP A 62 -3.536 -1.870 9.990 1.00 31.43 H new ATOM 883 N THR A 63 -4.437 5.245 14.344 1.00 33.01 N ATOM 884 CA THR A 63 -4.952 6.607 14.298 1.00 23.22 C ATOM 885 C THR A 63 -5.623 6.896 12.960 1.00 4.23 C ATOM 886 O THR A 63 -5.234 6.348 11.929 1.00 1.52 O ATOM 887 CB THR A 63 -3.834 7.640 14.532 1.00 73.01 C ATOM 888 OG1 THR A 63 -3.059 7.271 15.678 1.00 64.33 O ATOM 889 CG2 THR A 63 -4.416 9.031 14.733 1.00 13.20 C ATOM 0 H THR A 63 -4.119 4.884 13.445 1.00 33.01 H new ATOM 0 HA THR A 63 -5.688 6.693 15.097 1.00 23.22 H new ATOM 0 HB THR A 63 -3.193 7.656 13.650 1.00 73.01 H new ATOM 0 HG1 THR A 63 -2.349 7.932 15.820 1.00 64.33 H new ATOM 0 HG21 THR A 63 -3.608 9.744 14.896 1.00 13.20 H new ATOM 0 HG22 THR A 63 -4.981 9.320 13.847 1.00 13.20 H new ATOM 0 HG23 THR A 63 -5.077 9.027 15.600 1.00 13.20 H new ATOM 897 N ALA A 64 -6.634 7.759 12.983 1.00 54.15 N ATOM 898 CA ALA A 64 -7.356 8.122 11.770 1.00 44.14 C ATOM 899 C ALA A 64 -7.466 9.636 11.630 1.00 64.13 C ATOM 900 O ALA A 64 -7.776 10.339 12.592 1.00 23.11 O ATOM 901 CB ALA A 64 -8.739 7.489 11.771 1.00 21.55 C ATOM 0 H ALA A 64 -6.971 8.219 13.828 1.00 54.15 H new ATOM 0 HA ALA A 64 -6.795 7.744 10.915 1.00 44.14 H new ATOM 0 HB1 ALA A 64 -9.268 7.768 10.860 1.00 21.55 H new ATOM 0 HB2 ALA A 64 -8.643 6.404 11.817 1.00 21.55 H new ATOM 0 HB3 ALA A 64 -9.299 7.840 12.637 1.00 21.55 H new ATOM 907 N LYS A 65 -7.210 10.135 10.425 1.00 35.04 N ATOM 908 CA LYS A 65 -7.280 11.566 10.157 1.00 51.12 C ATOM 909 C LYS A 65 -7.960 11.836 8.819 1.00 25.24 C ATOM 910 O LYS A 65 -7.972 10.982 7.935 1.00 33.05 O ATOM 911 CB LYS A 65 -5.876 12.176 10.160 1.00 45.11 C ATOM 912 CG LYS A 65 -4.959 11.586 11.217 1.00 5.43 C ATOM 913 CD LYS A 65 -4.194 10.387 10.684 1.00 14.11 C ATOM 914 CE LYS A 65 -2.722 10.449 11.066 1.00 61.34 C ATOM 915 NZ LYS A 65 -1.868 9.694 10.109 1.00 54.24 N ATOM 0 H LYS A 65 -6.952 9.568 9.618 1.00 35.04 H new ATOM 0 HA LYS A 65 -7.872 12.029 10.946 1.00 51.12 H new ATOM 0 HB2 LYS A 65 -5.425 12.033 9.178 1.00 45.11 H new ATOM 0 HB3 LYS A 65 -5.956 13.251 10.320 1.00 45.11 H new ATOM 0 HG2 LYS A 65 -4.255 12.347 11.555 1.00 5.43 H new ATOM 0 HG3 LYS A 65 -5.547 11.287 12.085 1.00 5.43 H new ATOM 0 HD2 LYS A 65 -4.634 9.470 11.076 1.00 14.11 H new ATOM 0 HD3 LYS A 65 -4.288 10.347 9.599 1.00 14.11 H new ATOM 0 HE2 LYS A 65 -2.399 11.489 11.098 1.00 61.34 H new ATOM 0 HE3 LYS A 65 -2.590 10.043 12.069 1.00 61.34 H new ATOM 0 HZ1 LYS A 65 -0.873 9.761 10.404 1.00 54.24 H new ATOM 0 HZ2 LYS A 65 -2.159 8.696 10.097 1.00 54.24 H new ATOM 0 HZ3 LYS A 65 -1.974 10.097 9.156 1.00 54.24 H new ATOM 929 N ASN A 66 -8.525 13.031 8.678 1.00 22.22 N ATOM 930 CA ASN A 66 -9.207 13.414 7.447 1.00 22.23 C ATOM 931 C ASN A 66 -8.744 14.788 6.974 1.00 2.33 C ATOM 932 O ASN A 66 -8.356 14.960 5.817 1.00 60.05 O ATOM 933 CB ASN A 66 -10.722 13.419 7.659 1.00 24.23 C ATOM 934 CG ASN A 66 -11.485 13.667 6.372 1.00 61.20 C ATOM 935 OD1 ASN A 66 -12.301 14.585 6.288 1.00 52.32 O ATOM 936 ND2 ASN A 66 -11.223 12.846 5.361 1.00 61.43 N ATOM 0 H ASN A 66 -8.524 13.751 9.401 1.00 22.22 H new ATOM 0 HA ASN A 66 -8.957 12.682 6.679 1.00 22.23 H new ATOM 0 HB2 ASN A 66 -11.030 12.463 8.082 1.00 24.23 H new ATOM 0 HB3 ASN A 66 -10.982 14.188 8.386 1.00 24.23 H new ATOM 0 HD21 ASN A 66 -11.706 12.963 4.470 1.00 61.43 H new ATOM 0 HD22 ASN A 66 -10.539 12.098 5.475 1.00 61.43 H new ATOM 943 N VAL A 67 -8.786 15.764 7.874 1.00 61.30 N ATOM 944 CA VAL A 67 -8.369 17.123 7.550 1.00 34.20 C ATOM 945 C VAL A 67 -7.026 17.454 8.191 1.00 34.54 C ATOM 946 O VAL A 67 -6.804 18.573 8.652 1.00 2.34 O ATOM 947 CB VAL A 67 -9.414 18.156 8.012 1.00 41.13 C ATOM 948 CG1 VAL A 67 -9.644 19.202 6.932 1.00 22.30 C ATOM 949 CG2 VAL A 67 -10.718 17.466 8.383 1.00 34.41 C ATOM 0 H VAL A 67 -9.105 15.639 8.835 1.00 61.30 H new ATOM 0 HA VAL A 67 -8.273 17.174 6.465 1.00 34.20 H new ATOM 0 HB VAL A 67 -9.032 18.661 8.899 1.00 41.13 H new ATOM 0 HG11 VAL A 67 -10.385 19.923 7.276 1.00 22.30 H new ATOM 0 HG12 VAL A 67 -8.707 19.717 6.719 1.00 22.30 H new ATOM 0 HG13 VAL A 67 -10.004 18.716 6.025 1.00 22.30 H new ATOM 0 HG21 VAL A 67 -11.445 18.211 8.707 1.00 34.41 H new ATOM 0 HG22 VAL A 67 -11.107 16.933 7.516 1.00 34.41 H new ATOM 0 HG23 VAL A 67 -10.538 16.759 9.193 1.00 34.41 H new ATOM 959 N GLY A 68 -6.131 16.471 8.218 1.00 13.10 N ATOM 960 CA GLY A 68 -4.820 16.676 8.805 1.00 40.44 C ATOM 961 C GLY A 68 -3.867 17.383 7.861 1.00 32.23 C ATOM 962 O GLY A 68 -2.706 17.615 8.199 1.00 42.35 O ATOM 0 H GLY A 68 -6.291 15.536 7.843 1.00 13.10 H new ATOM 0 HA2 GLY A 68 -4.922 17.261 9.719 1.00 40.44 H new ATOM 0 HA3 GLY A 68 -4.397 15.712 9.089 1.00 40.44 H new ATOM 966 N TRP A 69 -4.356 17.722 6.674 1.00 11.11 N ATOM 967 CA TRP A 69 -3.538 18.405 5.677 1.00 22.11 C ATOM 968 C TRP A 69 -4.091 19.793 5.379 1.00 4.41 C ATOM 969 O TRP A 69 -3.360 20.680 4.939 1.00 63.44 O ATOM 970 CB TRP A 69 -3.474 17.580 4.390 1.00 72.14 C ATOM 971 CG TRP A 69 -4.742 16.838 4.095 1.00 72.34 C ATOM 972 CD1 TRP A 69 -5.049 15.561 4.469 1.00 31.11 C ATOM 973 CD2 TRP A 69 -5.871 17.327 3.366 1.00 42.52 C ATOM 974 NE1 TRP A 69 -6.302 15.226 4.014 1.00 53.30 N ATOM 975 CE2 TRP A 69 -6.827 16.294 3.335 1.00 23.41 C ATOM 976 CE3 TRP A 69 -6.170 18.539 2.736 1.00 14.33 C ATOM 977 CZ2 TRP A 69 -8.058 16.436 2.698 1.00 53.14 C ATOM 978 CZ3 TRP A 69 -7.390 18.680 2.105 1.00 31.13 C ATOM 979 CH2 TRP A 69 -8.323 17.633 2.090 1.00 53.34 C ATOM 0 H TRP A 69 -5.314 17.536 6.378 1.00 11.11 H new ATOM 0 HA TRP A 69 -2.531 18.515 6.081 1.00 22.11 H new ATOM 0 HB2 TRP A 69 -3.246 18.241 3.554 1.00 72.14 H new ATOM 0 HB3 TRP A 69 -2.653 16.867 4.465 1.00 72.14 H new ATOM 0 HD1 TRP A 69 -4.402 14.910 5.039 1.00 31.11 H new ATOM 0 HE1 TRP A 69 -6.765 14.329 4.158 1.00 53.30 H new ATOM 0 HE3 TRP A 69 -5.458 19.351 2.743 1.00 14.33 H new ATOM 0 HZ2 TRP A 69 -8.777 15.630 2.685 1.00 53.14 H new ATOM 0 HZ3 TRP A 69 -7.630 19.612 1.615 1.00 31.13 H new ATOM 0 HH2 TRP A 69 -9.269 17.774 1.589 1.00 53.34 H new ATOM 990 N ASN A 70 -5.385 19.976 5.620 1.00 43.12 N ATOM 991 CA ASN A 70 -6.035 21.258 5.376 1.00 5.41 C ATOM 992 C ASN A 70 -6.462 21.910 6.688 1.00 1.33 C ATOM 993 O ASN A 70 -6.365 23.126 6.850 1.00 11.31 O ATOM 994 CB ASN A 70 -7.251 21.073 4.466 1.00 2.12 C ATOM 995 CG ASN A 70 -7.010 21.599 3.065 1.00 1.42 C ATOM 996 OD1 ASN A 70 -5.867 21.719 2.622 1.00 10.14 O ATOM 997 ND2 ASN A 70 -8.089 21.918 2.359 1.00 41.52 N ATOM 0 H ASN A 70 -6.004 19.252 5.984 1.00 43.12 H new ATOM 0 HA ASN A 70 -5.317 21.913 4.882 1.00 5.41 H new ATOM 0 HB2 ASN A 70 -7.505 20.014 4.415 1.00 2.12 H new ATOM 0 HB3 ASN A 70 -8.109 21.586 4.901 1.00 2.12 H new ATOM 0 HD21 ASN A 70 -7.989 22.278 1.410 1.00 41.52 H new ATOM 0 HD22 ASN A 70 -9.017 21.802 2.766 1.00 41.52 H new ATOM 1004 N GLY A 71 -6.936 21.092 7.621 1.00 75.41 N ATOM 1005 CA GLY A 71 -7.371 21.606 8.907 1.00 31.45 C ATOM 1006 C GLY A 71 -8.349 22.755 8.771 1.00 43.01 C ATOM 1007 O GLY A 71 -8.142 23.828 9.340 1.00 4.20 O ATOM 0 H GLY A 71 -7.027 20.082 7.510 1.00 75.41 H new ATOM 0 HA2 GLY A 71 -7.837 20.802 9.477 1.00 31.45 H new ATOM 0 HA3 GLY A 71 -6.502 21.938 9.475 1.00 31.45 H new ATOM 1011 N THR A 72 -9.419 22.534 8.014 1.00 34.44 N ATOM 1012 CA THR A 72 -10.432 23.559 7.802 1.00 40.02 C ATOM 1013 C THR A 72 -11.832 23.013 8.061 1.00 74.34 C ATOM 1014 O THR A 72 -12.451 22.421 7.177 1.00 33.13 O ATOM 1015 CB THR A 72 -10.371 24.123 6.369 1.00 15.03 C ATOM 1016 OG1 THR A 72 -11.503 24.964 6.124 1.00 15.21 O ATOM 1017 CG2 THR A 72 -10.338 22.997 5.347 1.00 11.03 C ATOM 0 H THR A 72 -9.606 21.652 7.537 1.00 34.44 H new ATOM 0 HA THR A 72 -10.221 24.361 8.510 1.00 40.02 H new ATOM 0 HB THR A 72 -9.457 24.709 6.271 1.00 15.03 H new ATOM 0 HG1 THR A 72 -11.455 25.319 5.212 1.00 15.21 H new ATOM 0 HG21 THR A 72 -10.295 23.418 4.343 1.00 11.03 H new ATOM 0 HG22 THR A 72 -9.459 22.376 5.518 1.00 11.03 H new ATOM 0 HG23 THR A 72 -11.237 22.388 5.447 1.00 11.03 H new ATOM 1025 N LEU A 73 -12.324 23.216 9.278 1.00 4.44 N ATOM 1026 CA LEU A 73 -13.653 22.744 9.653 1.00 34.30 C ATOM 1027 C LEU A 73 -14.386 23.789 10.487 1.00 43.03 C ATOM 1028 O LEU A 73 -13.769 24.687 11.058 1.00 63.21 O ATOM 1029 CB LEU A 73 -13.547 21.433 10.436 1.00 43.22 C ATOM 1030 CG LEU A 73 -14.752 20.498 10.343 1.00 21.31 C ATOM 1031 CD1 LEU A 73 -14.299 19.047 10.298 1.00 23.44 C ATOM 1032 CD2 LEU A 73 -15.698 20.727 11.515 1.00 13.54 C ATOM 0 H LEU A 73 -11.824 23.704 10.021 1.00 4.44 H new ATOM 0 HA LEU A 73 -14.222 22.570 8.740 1.00 34.30 H new ATOM 0 HB2 LEU A 73 -12.666 20.894 10.086 1.00 43.22 H new ATOM 0 HB3 LEU A 73 -13.378 21.673 11.486 1.00 43.22 H new ATOM 0 HG LEU A 73 -15.289 20.719 9.420 1.00 21.31 H new ATOM 0 HD11 LEU A 73 -15.170 18.396 10.232 1.00 23.44 H new ATOM 0 HD12 LEU A 73 -13.663 18.891 9.427 1.00 23.44 H new ATOM 0 HD13 LEU A 73 -13.739 18.813 11.203 1.00 23.44 H new ATOM 0 HD21 LEU A 73 -16.550 20.052 11.432 1.00 13.54 H new ATOM 0 HD22 LEU A 73 -15.172 20.534 12.450 1.00 13.54 H new ATOM 0 HD23 LEU A 73 -16.049 21.759 11.503 1.00 13.54 H new ATOM 1044 N ALA A 74 -15.708 23.665 10.554 1.00 13.35 N ATOM 1045 CA ALA A 74 -16.526 24.596 11.321 1.00 1.05 C ATOM 1046 C ALA A 74 -16.599 24.183 12.787 1.00 64.24 C ATOM 1047 O ALA A 74 -16.323 23.039 13.149 1.00 71.00 O ATOM 1048 CB ALA A 74 -17.923 24.686 10.725 1.00 30.15 C ATOM 0 H ALA A 74 -16.235 22.928 10.086 1.00 13.35 H new ATOM 0 HA ALA A 74 -16.058 25.579 11.271 1.00 1.05 H new ATOM 0 HB1 ALA A 74 -18.523 25.385 11.308 1.00 30.15 H new ATOM 0 HB2 ALA A 74 -17.857 25.036 9.695 1.00 30.15 H new ATOM 0 HB3 ALA A 74 -18.391 23.702 10.745 1.00 30.15 H new ATOM 1054 N PRO A 75 -16.979 25.134 13.652 1.00 43.01 N ATOM 1055 CA PRO A 75 -17.098 24.893 15.093 1.00 13.15 C ATOM 1056 C PRO A 75 -18.269 23.978 15.433 1.00 70.15 C ATOM 1057 O PRO A 75 -18.423 23.548 16.576 1.00 11.30 O ATOM 1058 CB PRO A 75 -17.327 26.292 15.669 1.00 74.54 C ATOM 1059 CG PRO A 75 -17.931 27.069 14.552 1.00 32.01 C ATOM 1060 CD PRO A 75 -17.323 26.520 13.290 1.00 22.11 C ATOM 0 HA PRO A 75 -16.219 24.390 15.496 1.00 13.15 H new ATOM 0 HB2 PRO A 75 -17.991 26.260 16.533 1.00 74.54 H new ATOM 0 HB3 PRO A 75 -16.391 26.741 16.002 1.00 74.54 H new ATOM 0 HG2 PRO A 75 -19.015 26.960 14.542 1.00 32.01 H new ATOM 0 HG3 PRO A 75 -17.719 28.133 14.657 1.00 32.01 H new ATOM 0 HD2 PRO A 75 -18.025 26.555 12.457 1.00 22.11 H new ATOM 0 HD3 PRO A 75 -16.442 27.087 12.989 1.00 22.11 H new ATOM 1068 N GLY A 76 -19.094 23.684 14.432 1.00 61.34 N ATOM 1069 CA GLY A 76 -20.242 22.821 14.646 1.00 74.04 C ATOM 1070 C GLY A 76 -20.588 22.002 13.419 1.00 63.32 C ATOM 1071 O GLY A 76 -20.963 22.550 12.384 1.00 52.24 O ATOM 0 H GLY A 76 -18.988 24.028 13.478 1.00 61.34 H new ATOM 0 HA2 GLY A 76 -20.038 22.151 15.481 1.00 74.04 H new ATOM 0 HA3 GLY A 76 -21.102 23.429 14.928 1.00 74.04 H new ATOM 1075 N ALA A 77 -20.461 20.684 13.535 1.00 41.02 N ATOM 1076 CA ALA A 77 -20.763 19.787 12.426 1.00 42.14 C ATOM 1077 C ALA A 77 -20.547 18.331 12.823 1.00 62.24 C ATOM 1078 O ALA A 77 -20.031 18.042 13.902 1.00 55.20 O ATOM 1079 CB ALA A 77 -19.912 20.139 11.216 1.00 51.41 C ATOM 0 H ALA A 77 -20.151 20.214 14.386 1.00 41.02 H new ATOM 0 HA ALA A 77 -21.814 19.912 12.165 1.00 42.14 H new ATOM 0 HB1 ALA A 77 -20.148 19.461 10.396 1.00 51.41 H new ATOM 0 HB2 ALA A 77 -20.120 21.164 10.911 1.00 51.41 H new ATOM 0 HB3 ALA A 77 -18.857 20.044 11.473 1.00 51.41 H new ATOM 1085 N SER A 78 -20.946 17.417 11.944 1.00 53.11 N ATOM 1086 CA SER A 78 -20.799 15.990 12.205 1.00 51.00 C ATOM 1087 C SER A 78 -20.232 15.271 10.986 1.00 1.35 C ATOM 1088 O SER A 78 -20.706 15.456 9.864 1.00 21.31 O ATOM 1089 CB SER A 78 -22.147 15.379 12.590 1.00 65.12 C ATOM 1090 OG SER A 78 -22.930 15.105 11.441 1.00 63.34 O ATOM 0 H SER A 78 -21.374 17.639 11.045 1.00 53.11 H new ATOM 0 HA SER A 78 -20.102 15.867 13.034 1.00 51.00 H new ATOM 0 HB2 SER A 78 -21.986 14.459 13.152 1.00 65.12 H new ATOM 0 HB3 SER A 78 -22.686 16.063 13.246 1.00 65.12 H new ATOM 0 HG SER A 78 -23.786 14.713 11.714 1.00 63.34 H new ATOM 1096 N VAL A 79 -19.213 14.447 11.212 1.00 51.05 N ATOM 1097 CA VAL A 79 -18.581 13.698 10.134 1.00 42.30 C ATOM 1098 C VAL A 79 -18.242 12.279 10.575 1.00 32.21 C ATOM 1099 O VAL A 79 -17.437 12.077 11.485 1.00 31.30 O ATOM 1100 CB VAL A 79 -17.296 14.392 9.645 1.00 42.54 C ATOM 1101 CG1 VAL A 79 -16.755 13.702 8.403 1.00 52.30 C ATOM 1102 CG2 VAL A 79 -17.558 15.867 9.375 1.00 34.24 C ATOM 0 H VAL A 79 -18.808 14.282 12.133 1.00 51.05 H new ATOM 0 HA VAL A 79 -19.298 13.659 9.314 1.00 42.30 H new ATOM 0 HB VAL A 79 -16.542 14.317 10.429 1.00 42.54 H new ATOM 0 HG11 VAL A 79 -15.847 14.207 8.073 1.00 52.30 H new ATOM 0 HG12 VAL A 79 -16.528 12.661 8.635 1.00 52.30 H new ATOM 0 HG13 VAL A 79 -17.502 13.742 7.610 1.00 52.30 H new ATOM 0 HG21 VAL A 79 -16.640 16.342 9.030 1.00 34.24 H new ATOM 0 HG22 VAL A 79 -18.327 15.966 8.609 1.00 34.24 H new ATOM 0 HG23 VAL A 79 -17.895 16.351 10.292 1.00 34.24 H new ATOM 1112 N SER A 80 -18.860 11.299 9.926 1.00 12.34 N ATOM 1113 CA SER A 80 -18.626 9.897 10.253 1.00 63.13 C ATOM 1114 C SER A 80 -17.820 9.210 9.155 1.00 21.33 C ATOM 1115 O SER A 80 -18.194 9.241 7.983 1.00 35.35 O ATOM 1116 CB SER A 80 -19.957 9.170 10.456 1.00 32.33 C ATOM 1117 OG SER A 80 -20.784 9.290 9.311 1.00 72.12 O ATOM 0 H SER A 80 -19.528 11.449 9.170 1.00 12.34 H new ATOM 0 HA SER A 80 -18.053 9.856 11.179 1.00 63.13 H new ATOM 0 HB2 SER A 80 -19.771 8.117 10.665 1.00 32.33 H new ATOM 0 HB3 SER A 80 -20.471 9.582 11.324 1.00 32.33 H new ATOM 0 HG SER A 80 -20.225 9.380 8.511 1.00 72.12 H new ATOM 1123 N PHE A 81 -16.712 8.588 9.545 1.00 44.00 N ATOM 1124 CA PHE A 81 -15.851 7.893 8.594 1.00 63.42 C ATOM 1125 C PHE A 81 -15.901 6.385 8.819 1.00 12.35 C ATOM 1126 O PHE A 81 -15.874 5.913 9.954 1.00 71.41 O ATOM 1127 CB PHE A 81 -14.409 8.392 8.721 1.00 23.31 C ATOM 1128 CG PHE A 81 -13.721 7.924 9.970 1.00 74.50 C ATOM 1129 CD1 PHE A 81 -13.084 6.694 10.008 1.00 0.13 C ATOM 1130 CD2 PHE A 81 -13.710 8.714 11.109 1.00 54.42 C ATOM 1131 CE1 PHE A 81 -12.450 6.260 11.156 1.00 52.24 C ATOM 1132 CE2 PHE A 81 -13.077 8.287 12.261 1.00 31.24 C ATOM 1133 CZ PHE A 81 -12.446 7.059 12.285 1.00 14.43 C ATOM 0 H PHE A 81 -16.389 8.551 10.512 1.00 44.00 H new ATOM 0 HA PHE A 81 -16.214 8.105 7.589 1.00 63.42 H new ATOM 0 HB2 PHE A 81 -13.839 8.056 7.854 1.00 23.31 H new ATOM 0 HB3 PHE A 81 -14.407 9.482 8.701 1.00 23.31 H new ATOM 0 HD1 PHE A 81 -13.083 6.067 9.129 1.00 0.13 H new ATOM 0 HD2 PHE A 81 -14.202 9.675 11.096 1.00 54.42 H new ATOM 0 HE1 PHE A 81 -11.958 5.299 11.172 1.00 52.24 H new ATOM 0 HE2 PHE A 81 -13.076 8.913 13.141 1.00 31.24 H new ATOM 0 HZ PHE A 81 -11.950 6.723 13.184 1.00 14.43 H new ATOM 1143 N GLY A 82 -15.974 5.632 7.725 1.00 0.34 N ATOM 1144 CA GLY A 82 -16.028 4.185 7.822 1.00 53.33 C ATOM 1145 C GLY A 82 -14.761 3.523 7.317 1.00 75.31 C ATOM 1146 O GLY A 82 -13.868 4.191 6.794 1.00 72.52 O ATOM 0 H GLY A 82 -15.997 5.999 6.773 1.00 0.34 H new ATOM 0 HA2 GLY A 82 -16.194 3.899 8.861 1.00 53.33 H new ATOM 0 HA3 GLY A 82 -16.880 3.817 7.250 1.00 53.33 H new ATOM 1150 N PHE A 83 -14.680 2.206 7.474 1.00 23.24 N ATOM 1151 CA PHE A 83 -13.512 1.453 7.031 1.00 31.24 C ATOM 1152 C PHE A 83 -13.735 -0.047 7.202 1.00 52.24 C ATOM 1153 O PHE A 83 -14.784 -0.479 7.678 1.00 42.32 O ATOM 1154 CB PHE A 83 -12.272 1.888 7.815 1.00 44.42 C ATOM 1155 CG PHE A 83 -12.224 1.342 9.213 1.00 11.41 C ATOM 1156 CD1 PHE A 83 -11.620 0.123 9.474 1.00 13.43 C ATOM 1157 CD2 PHE A 83 -12.783 2.048 10.266 1.00 1.13 C ATOM 1158 CE1 PHE A 83 -11.573 -0.382 10.759 1.00 34.21 C ATOM 1159 CE2 PHE A 83 -12.739 1.548 11.554 1.00 20.23 C ATOM 1160 CZ PHE A 83 -12.134 0.330 11.800 1.00 71.23 C ATOM 0 H PHE A 83 -15.409 1.638 7.905 1.00 23.24 H new ATOM 0 HA PHE A 83 -13.356 1.661 5.972 1.00 31.24 H new ATOM 0 HB2 PHE A 83 -11.380 1.566 7.277 1.00 44.42 H new ATOM 0 HB3 PHE A 83 -12.243 2.977 7.858 1.00 44.42 H new ATOM 0 HD1 PHE A 83 -11.181 -0.439 8.663 1.00 13.43 H new ATOM 0 HD2 PHE A 83 -13.258 2.999 10.078 1.00 1.13 H new ATOM 0 HE1 PHE A 83 -11.098 -1.333 10.949 1.00 34.21 H new ATOM 0 HE2 PHE A 83 -13.177 2.108 12.367 1.00 20.23 H new ATOM 0 HZ PHE A 83 -12.100 -0.064 12.805 1.00 71.23 H new ATOM 1170 N ASN A 84 -12.739 -0.836 6.811 1.00 50.24 N ATOM 1171 CA ASN A 84 -12.826 -2.287 6.919 1.00 62.51 C ATOM 1172 C ASN A 84 -11.592 -2.855 7.614 1.00 72.44 C ATOM 1173 O ASN A 84 -10.473 -2.396 7.388 1.00 21.42 O ATOM 1174 CB ASN A 84 -12.978 -2.915 5.533 1.00 42.21 C ATOM 1175 CG ASN A 84 -14.316 -2.593 4.897 1.00 4.13 C ATOM 1176 OD1 ASN A 84 -14.383 -2.194 3.734 1.00 44.20 O ATOM 1177 ND2 ASN A 84 -15.391 -2.765 5.659 1.00 1.33 N ATOM 0 H ASN A 84 -11.863 -0.494 6.417 1.00 50.24 H new ATOM 0 HA ASN A 84 -13.704 -2.530 7.518 1.00 62.51 H new ATOM 0 HB2 ASN A 84 -12.176 -2.559 4.886 1.00 42.21 H new ATOM 0 HB3 ASN A 84 -12.867 -3.996 5.613 1.00 42.21 H new ATOM 0 HD21 ASN A 84 -16.319 -2.564 5.285 1.00 1.33 H new ATOM 0 HD22 ASN A 84 -15.289 -3.098 6.618 1.00 1.33 H new ATOM 1184 N GLY A 85 -11.805 -3.858 8.461 1.00 72.45 N ATOM 1185 CA GLY A 85 -10.702 -4.472 9.176 1.00 31.31 C ATOM 1186 C GLY A 85 -10.906 -5.959 9.390 1.00 1.31 C ATOM 1187 O GLY A 85 -12.030 -6.455 9.320 1.00 42.30 O ATOM 0 H GLY A 85 -12.722 -4.256 8.664 1.00 72.45 H new ATOM 0 HA2 GLY A 85 -9.778 -4.311 8.620 1.00 31.31 H new ATOM 0 HA3 GLY A 85 -10.582 -3.982 10.142 1.00 31.31 H new ATOM 1191 N SER A 86 -9.815 -6.673 9.649 1.00 70.44 N ATOM 1192 CA SER A 86 -9.879 -8.114 9.868 1.00 74.23 C ATOM 1193 C SER A 86 -9.709 -8.447 11.347 1.00 60.34 C ATOM 1194 O SER A 86 -8.644 -8.232 11.925 1.00 62.33 O ATOM 1195 CB SER A 86 -8.801 -8.824 9.047 1.00 44.34 C ATOM 1196 OG SER A 86 -8.736 -8.302 7.732 1.00 2.41 O ATOM 0 H SER A 86 -8.877 -6.278 9.712 1.00 70.44 H new ATOM 0 HA SER A 86 -10.860 -8.462 9.545 1.00 74.23 H new ATOM 0 HB2 SER A 86 -7.833 -8.710 9.535 1.00 44.34 H new ATOM 0 HB3 SER A 86 -9.014 -9.892 9.008 1.00 44.34 H new ATOM 0 HG SER A 86 -8.039 -8.771 7.228 1.00 2.41 H new ATOM 1202 N GLY A 87 -10.768 -8.973 11.954 1.00 71.40 N ATOM 1203 CA GLY A 87 -10.717 -9.327 13.361 1.00 23.43 C ATOM 1204 C GLY A 87 -12.095 -9.417 13.987 1.00 4.41 C ATOM 1205 O GLY A 87 -13.107 -9.541 13.296 1.00 32.22 O ATOM 0 H GLY A 87 -11.660 -9.160 11.497 1.00 71.40 H new ATOM 0 HA2 GLY A 87 -10.207 -10.284 13.473 1.00 23.43 H new ATOM 0 HA3 GLY A 87 -10.125 -8.585 13.898 1.00 23.43 H new ATOM 1209 N PRO A 88 -12.146 -9.356 15.326 1.00 21.43 N ATOM 1210 CA PRO A 88 -13.405 -9.430 16.074 1.00 34.43 C ATOM 1211 C PRO A 88 -14.265 -8.186 15.886 1.00 44.13 C ATOM 1212 O PRO A 88 -15.491 -8.272 15.809 1.00 73.24 O ATOM 1213 CB PRO A 88 -12.946 -9.549 17.529 1.00 42.22 C ATOM 1214 CG PRO A 88 -11.596 -8.919 17.553 1.00 32.05 C ATOM 1215 CD PRO A 88 -10.980 -9.209 16.213 1.00 2.34 C ATOM 0 HA PRO A 88 -14.029 -10.259 15.741 1.00 34.43 H new ATOM 0 HB2 PRO A 88 -13.633 -9.039 18.204 1.00 42.22 H new ATOM 0 HB3 PRO A 88 -12.902 -10.591 17.846 1.00 42.22 H new ATOM 0 HG2 PRO A 88 -11.670 -7.845 17.724 1.00 32.05 H new ATOM 0 HG3 PRO A 88 -10.988 -9.330 18.359 1.00 32.05 H new ATOM 0 HD2 PRO A 88 -10.327 -8.399 15.887 1.00 2.34 H new ATOM 0 HD3 PRO A 88 -10.376 -10.116 16.236 1.00 2.34 H new ATOM 1223 N GLY A 89 -13.616 -7.028 15.813 1.00 11.42 N ATOM 1224 CA GLY A 89 -14.338 -5.782 15.635 1.00 1.42 C ATOM 1225 C GLY A 89 -14.741 -5.151 16.953 1.00 14.04 C ATOM 1226 O GLY A 89 -15.726 -4.417 17.022 1.00 50.31 O ATOM 0 H GLY A 89 -12.602 -6.931 15.874 1.00 11.42 H new ATOM 0 HA2 GLY A 89 -13.717 -5.082 15.076 1.00 1.42 H new ATOM 0 HA3 GLY A 89 -15.230 -5.965 15.036 1.00 1.42 H new ATOM 1230 N SER A 90 -13.979 -5.441 18.003 1.00 54.30 N ATOM 1231 CA SER A 90 -14.265 -4.902 19.327 1.00 51.33 C ATOM 1232 C SER A 90 -13.175 -3.926 19.763 1.00 63.40 C ATOM 1233 O SER A 90 -12.330 -4.236 20.602 1.00 71.30 O ATOM 1234 CB SER A 90 -14.389 -6.034 20.346 1.00 73.51 C ATOM 1235 OG SER A 90 -15.276 -7.040 19.887 1.00 32.23 O ATOM 0 H SER A 90 -13.159 -6.046 17.962 1.00 54.30 H new ATOM 0 HA SER A 90 -15.212 -4.364 19.277 1.00 51.33 H new ATOM 0 HB2 SER A 90 -13.407 -6.468 20.533 1.00 73.51 H new ATOM 0 HB3 SER A 90 -14.747 -5.635 21.295 1.00 73.51 H new ATOM 0 HG SER A 90 -15.336 -7.753 20.556 1.00 32.23 H new ATOM 1241 N PRO A 91 -13.196 -2.719 19.180 1.00 53.34 N ATOM 1242 CA PRO A 91 -12.218 -1.672 19.493 1.00 35.12 C ATOM 1243 C PRO A 91 -12.402 -1.106 20.897 1.00 21.24 C ATOM 1244 O PRO A 91 -13.490 -1.183 21.469 1.00 14.02 O ATOM 1245 CB PRO A 91 -12.501 -0.597 18.441 1.00 52.31 C ATOM 1246 CG PRO A 91 -13.927 -0.801 18.064 1.00 31.44 C ATOM 1247 CD PRO A 91 -14.175 -2.281 18.172 1.00 43.24 C ATOM 0 HA PRO A 91 -11.196 -2.050 19.472 1.00 35.12 H new ATOM 0 HB2 PRO A 91 -12.337 0.403 18.843 1.00 52.31 H new ATOM 0 HB3 PRO A 91 -11.844 -0.705 17.578 1.00 52.31 H new ATOM 0 HG2 PRO A 91 -14.590 -0.245 18.727 1.00 31.44 H new ATOM 0 HG3 PRO A 91 -14.118 -0.446 17.051 1.00 31.44 H new ATOM 0 HD2 PRO A 91 -15.197 -2.495 18.485 1.00 43.24 H new ATOM 0 HD3 PRO A 91 -14.022 -2.785 17.218 1.00 43.24 H new ATOM 1255 N SER A 92 -11.335 -0.536 21.446 1.00 35.03 N ATOM 1256 CA SER A 92 -11.379 0.040 22.785 1.00 2.21 C ATOM 1257 C SER A 92 -10.430 1.230 22.895 1.00 64.41 C ATOM 1258 O SER A 92 -9.608 1.466 22.011 1.00 53.02 O ATOM 1259 CB SER A 92 -11.014 -1.016 23.829 1.00 34.22 C ATOM 1260 OG SER A 92 -10.249 -2.060 23.254 1.00 11.15 O ATOM 0 H SER A 92 -10.429 -0.460 20.984 1.00 35.03 H new ATOM 0 HA SER A 92 -12.395 0.389 22.971 1.00 2.21 H new ATOM 0 HB2 SER A 92 -10.451 -0.552 24.638 1.00 34.22 H new ATOM 0 HB3 SER A 92 -11.923 -1.427 24.268 1.00 34.22 H new ATOM 0 HG SER A 92 -10.027 -2.721 23.943 1.00 11.15 H new ATOM 1266 N ASN A 93 -10.552 1.976 23.988 1.00 20.54 N ATOM 1267 CA ASN A 93 -9.707 3.142 24.216 1.00 12.42 C ATOM 1268 C ASN A 93 -9.889 4.172 23.105 1.00 25.15 C ATOM 1269 O ASN A 93 -8.948 4.490 22.378 1.00 70.41 O ATOM 1270 CB ASN A 93 -8.237 2.724 24.302 1.00 2.35 C ATOM 1271 CG ASN A 93 -7.994 1.685 25.378 1.00 32.51 C ATOM 1272 OD1 ASN A 93 -8.911 1.299 26.104 1.00 42.43 O ATOM 1273 ND2 ASN A 93 -6.753 1.224 25.487 1.00 41.42 N ATOM 0 H ASN A 93 -11.228 1.794 24.730 1.00 20.54 H new ATOM 0 HA ASN A 93 -10.005 3.596 25.161 1.00 12.42 H new ATOM 0 HB2 ASN A 93 -7.918 2.327 23.338 1.00 2.35 H new ATOM 0 HB3 ASN A 93 -7.624 3.602 24.503 1.00 2.35 H new ATOM 0 HD21 ASN A 93 -6.530 0.523 26.193 1.00 41.42 H new ATOM 0 HD22 ASN A 93 -6.023 1.571 24.865 1.00 41.42 H new ATOM 1280 N CYS A 94 -11.107 4.689 22.980 1.00 61.11 N ATOM 1281 CA CYS A 94 -11.415 5.682 21.957 1.00 71.15 C ATOM 1282 C CYS A 94 -11.061 7.086 22.440 1.00 23.32 C ATOM 1283 O CYS A 94 -11.851 7.736 23.126 1.00 10.11 O ATOM 1284 CB CYS A 94 -12.896 5.617 21.583 1.00 4.32 C ATOM 1285 SG CYS A 94 -13.417 6.890 20.408 1.00 14.03 S ATOM 0 H CYS A 94 -11.897 4.437 23.574 1.00 61.11 H new ATOM 0 HA CYS A 94 -10.815 5.458 21.075 1.00 71.15 H new ATOM 0 HB2 CYS A 94 -13.110 4.636 21.158 1.00 4.32 H new ATOM 0 HB3 CYS A 94 -13.493 5.709 22.490 1.00 4.32 H new ATOM 0 HG CYS A 94 -13.754 6.331 19.284 1.00 14.03 H new ATOM 1291 N LYS A 95 -9.869 7.547 22.078 1.00 3.23 N ATOM 1292 CA LYS A 95 -9.409 8.873 22.473 1.00 51.03 C ATOM 1293 C LYS A 95 -9.118 9.735 21.249 1.00 74.41 C ATOM 1294 O LYS A 95 -8.345 9.346 20.373 1.00 10.23 O ATOM 1295 CB LYS A 95 -8.155 8.762 23.343 1.00 33.12 C ATOM 1296 CG LYS A 95 -7.163 7.723 22.849 1.00 31.40 C ATOM 1297 CD LYS A 95 -7.217 6.458 23.691 1.00 34.02 C ATOM 1298 CE LYS A 95 -6.608 6.678 25.068 1.00 1.52 C ATOM 1299 NZ LYS A 95 -7.638 6.640 26.142 1.00 74.40 N ATOM 0 H LYS A 95 -9.203 7.022 21.511 1.00 3.23 H new ATOM 0 HA LYS A 95 -10.202 9.349 23.050 1.00 51.03 H new ATOM 0 HB2 LYS A 95 -7.662 9.733 23.381 1.00 33.12 H new ATOM 0 HB3 LYS A 95 -8.451 8.514 24.362 1.00 33.12 H new ATOM 0 HG2 LYS A 95 -7.378 7.479 21.809 1.00 31.40 H new ATOM 0 HG3 LYS A 95 -6.155 8.138 22.877 1.00 31.40 H new ATOM 0 HD2 LYS A 95 -8.252 6.135 23.797 1.00 34.02 H new ATOM 0 HD3 LYS A 95 -6.684 5.656 23.180 1.00 34.02 H new ATOM 0 HE2 LYS A 95 -5.856 5.913 25.259 1.00 1.52 H new ATOM 0 HE3 LYS A 95 -6.096 7.640 25.089 1.00 1.52 H new ATOM 0 HZ1 LYS A 95 -7.195 6.354 27.038 1.00 74.40 H new ATOM 0 HZ2 LYS A 95 -8.061 7.584 26.251 1.00 74.40 H new ATOM 0 HZ3 LYS A 95 -8.379 5.956 25.888 1.00 74.40 H new ATOM 1313 N LEU A 96 -9.739 10.908 21.195 1.00 73.53 N ATOM 1314 CA LEU A 96 -9.544 11.827 20.080 1.00 22.24 C ATOM 1315 C LEU A 96 -9.346 13.254 20.577 1.00 54.54 C ATOM 1316 O LEU A 96 -9.784 13.608 21.671 1.00 53.35 O ATOM 1317 CB LEU A 96 -10.743 11.768 19.130 1.00 63.44 C ATOM 1318 CG LEU A 96 -12.108 12.065 19.754 1.00 71.03 C ATOM 1319 CD1 LEU A 96 -12.339 13.566 19.844 1.00 31.03 C ATOM 1320 CD2 LEU A 96 -13.216 11.400 18.951 1.00 63.42 C ATOM 0 H LEU A 96 -10.382 11.245 21.911 1.00 73.53 H new ATOM 0 HA LEU A 96 -8.646 11.522 19.543 1.00 22.24 H new ATOM 0 HB2 LEU A 96 -10.574 12.477 18.319 1.00 63.44 H new ATOM 0 HB3 LEU A 96 -10.778 10.775 18.683 1.00 63.44 H new ATOM 0 HG LEU A 96 -12.122 11.655 20.764 1.00 71.03 H new ATOM 0 HD11 LEU A 96 -13.315 13.758 20.290 1.00 31.03 H new ATOM 0 HD12 LEU A 96 -11.562 14.017 20.462 1.00 31.03 H new ATOM 0 HD13 LEU A 96 -12.305 14.000 18.845 1.00 31.03 H new ATOM 0 HD21 LEU A 96 -14.180 11.621 19.409 1.00 63.42 H new ATOM 0 HD22 LEU A 96 -13.203 11.780 17.929 1.00 63.42 H new ATOM 0 HD23 LEU A 96 -13.059 10.321 18.939 1.00 63.42 H new ATOM 1332 N ASN A 97 -8.682 14.072 19.766 1.00 14.43 N ATOM 1333 CA ASN A 97 -8.426 15.462 20.123 1.00 52.25 C ATOM 1334 C ASN A 97 -7.545 15.551 21.367 1.00 1.35 C ATOM 1335 O ASN A 97 -7.585 16.538 22.099 1.00 44.55 O ATOM 1336 CB ASN A 97 -9.745 16.200 20.365 1.00 13.33 C ATOM 1337 CG ASN A 97 -9.890 17.426 19.485 1.00 4.24 C ATOM 1338 OD1 ASN A 97 -10.939 17.647 18.878 1.00 51.11 O ATOM 1339 ND2 ASN A 97 -8.837 18.230 19.410 1.00 74.14 N ATOM 0 H ASN A 97 -8.312 13.795 18.857 1.00 14.43 H new ATOM 0 HA ASN A 97 -7.901 15.933 19.292 1.00 52.25 H new ATOM 0 HB2 ASN A 97 -10.578 15.522 20.179 1.00 13.33 H new ATOM 0 HB3 ASN A 97 -9.805 16.498 21.412 1.00 13.33 H new ATOM 0 HD21 ASN A 97 -8.877 19.070 18.832 1.00 74.14 H new ATOM 0 HD22 ASN A 97 -7.988 18.008 19.930 1.00 74.14 H new ATOM 1346 N GLY A 98 -6.749 14.511 21.597 1.00 23.25 N ATOM 1347 CA GLY A 98 -5.870 14.491 22.751 1.00 42.13 C ATOM 1348 C GLY A 98 -6.516 13.843 23.960 1.00 73.14 C ATOM 1349 O GLY A 98 -6.192 14.177 25.100 1.00 51.41 O ATOM 0 H GLY A 98 -6.697 13.682 21.005 1.00 23.25 H new ATOM 0 HA2 GLY A 98 -4.956 13.953 22.499 1.00 42.13 H new ATOM 0 HA3 GLY A 98 -5.580 15.512 23.001 1.00 42.13 H new ATOM 1353 N GLY A 99 -7.434 12.913 23.713 1.00 52.44 N ATOM 1354 CA GLY A 99 -8.113 12.233 24.800 1.00 51.12 C ATOM 1355 C GLY A 99 -9.422 12.901 25.174 1.00 14.13 C ATOM 1356 O GLY A 99 -9.513 13.573 26.201 1.00 33.02 O ATOM 0 H GLY A 99 -7.719 12.619 22.779 1.00 52.44 H new ATOM 0 HA2 GLY A 99 -8.305 11.199 24.514 1.00 51.12 H new ATOM 0 HA3 GLY A 99 -7.460 12.206 25.672 1.00 51.12 H new ATOM 1360 N SER A 100 -10.438 12.715 24.338 1.00 41.51 N ATOM 1361 CA SER A 100 -11.747 13.309 24.582 1.00 42.03 C ATOM 1362 C SER A 100 -12.842 12.521 23.871 1.00 64.21 C ATOM 1363 O SER A 100 -13.003 12.620 22.653 1.00 33.54 O ATOM 1364 CB SER A 100 -11.765 14.766 24.115 1.00 64.32 C ATOM 1365 OG SER A 100 -13.050 15.133 23.641 1.00 41.23 O ATOM 0 H SER A 100 -10.380 12.158 23.486 1.00 41.51 H new ATOM 0 HA SER A 100 -11.939 13.277 25.654 1.00 42.03 H new ATOM 0 HB2 SER A 100 -11.477 15.419 24.939 1.00 64.32 H new ATOM 0 HB3 SER A 100 -11.028 14.907 23.324 1.00 64.32 H new ATOM 0 HG SER A 100 -13.036 16.069 23.350 1.00 41.23 H new ATOM 1371 N CYS A 101 -13.594 11.739 24.639 1.00 1.51 N ATOM 1372 CA CYS A 101 -14.674 10.932 24.083 1.00 44.14 C ATOM 1373 C CYS A 101 -15.732 10.638 25.140 1.00 64.40 C ATOM 1374 O CYS A 101 -15.409 10.352 26.293 1.00 74.33 O ATOM 1375 CB CYS A 101 -14.122 9.623 23.517 1.00 65.14 C ATOM 1376 SG CYS A 101 -15.394 8.464 22.963 1.00 42.04 S ATOM 0 H CYS A 101 -13.475 11.647 25.648 1.00 1.51 H new ATOM 0 HA CYS A 101 -15.140 11.499 23.277 1.00 44.14 H new ATOM 0 HB2 CYS A 101 -13.464 9.851 22.679 1.00 65.14 H new ATOM 0 HB3 CYS A 101 -13.512 9.139 24.279 1.00 65.14 H new ATOM 0 HG CYS A 101 -14.925 7.735 21.994 1.00 42.04 H new