USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 438 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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 29 THR OG1 : rot 106:sc= 0.684 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.203 X(o=0.2,f=-0.2) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= -0.031 (180deg=-1.13) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.399 K(o=-0.4,f=-1.3) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 61 SER OG : rot 70:sc=-6.22e-05 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -168:sc=-0.00831 (180deg=-0.157) USER MOD Single : A 68 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.1) USER MOD Single : A 69 LYS NZ :NH3+ 158:sc= 1.23 (180deg=0.854) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 12.149 41.838 30.171 1.00 20.00 N ATOM 18 CA GLU A 2 12.460 40.676 31.007 1.00 20.00 C ATOM 19 C GLU A 2 13.902 40.213 30.781 1.00 20.00 C ATOM 20 O GLU A 2 14.614 39.968 31.754 1.00 20.00 O ATOM 21 CB GLU A 2 11.472 39.554 30.701 1.00 20.00 C ATOM 22 CG GLU A 2 11.490 38.431 31.762 1.00 20.00 C ATOM 23 CD GLU A 2 10.933 38.832 33.134 1.00 20.00 C ATOM 24 OE1 GLU A 2 11.117 38.026 34.071 1.00 20.00 O ATOM 25 OE2 GLU A 2 10.304 39.910 33.245 1.00 20.00 O ATOM 0 HA GLU A 2 12.366 40.955 32.056 1.00 20.00 H new ATOM 0 HB2 GLU A 2 10.466 39.970 30.636 1.00 20.00 H new ATOM 0 HB3 GLU A 2 11.704 39.128 29.725 1.00 20.00 H new ATOM 0 HG2 GLU A 2 10.915 37.585 31.385 1.00 20.00 H new ATOM 0 HG3 GLU A 2 12.516 38.087 31.889 1.00 20.00 H new ATOM 32 N CYS A 3 14.345 40.109 29.523 1.00 20.00 N ATOM 33 CA CYS A 3 15.639 39.539 29.134 1.00 20.00 C ATOM 34 C CYS A 3 16.835 40.354 29.661 1.00 20.00 C ATOM 35 O CYS A 3 17.837 39.768 30.070 1.00 20.00 O ATOM 36 CB CYS A 3 15.699 39.448 27.608 1.00 20.00 C ATOM 37 SG CYS A 3 14.263 38.590 26.925 1.00 20.00 S ATOM 0 H CYS A 3 13.797 40.429 28.724 1.00 20.00 H new ATOM 0 HA CYS A 3 15.716 38.549 29.584 1.00 20.00 H new ATOM 0 HB2 CYS A 3 15.756 40.452 27.187 1.00 20.00 H new ATOM 0 HB3 CYS A 3 16.609 38.926 27.311 1.00 20.00 H new ATOM 42 N VAL A 4 16.708 41.687 29.693 1.00 20.00 N ATOM 43 CA VAL A 4 17.682 42.612 30.268 1.00 20.00 C ATOM 44 C VAL A 4 17.791 42.415 31.786 1.00 20.00 C ATOM 45 O VAL A 4 18.894 42.322 32.315 1.00 20.00 O ATOM 46 CB VAL A 4 17.287 44.068 29.905 1.00 20.00 C ATOM 47 CG1 VAL A 4 18.197 45.104 30.579 1.00 20.00 C ATOM 48 CG2 VAL A 4 17.341 44.294 28.392 1.00 20.00 C ATOM 0 H VAL A 4 15.894 42.164 29.304 1.00 20.00 H new ATOM 0 HA VAL A 4 18.667 42.407 29.849 1.00 20.00 H new ATOM 0 HB VAL A 4 16.268 44.202 30.269 1.00 20.00 H new ATOM 0 HG11 VAL A 4 17.880 46.107 30.294 1.00 20.00 H new ATOM 0 HG12 VAL A 4 18.131 44.997 31.662 1.00 20.00 H new ATOM 0 HG13 VAL A 4 19.227 44.945 30.261 1.00 20.00 H new ATOM 0 HG21 VAL A 4 17.059 45.323 28.168 1.00 20.00 H new ATOM 0 HG22 VAL A 4 18.353 44.108 28.032 1.00 20.00 H new ATOM 0 HG23 VAL A 4 16.649 43.612 27.897 1.00 20.00 H new ATOM 58 N SER A 5 16.647 42.315 32.474 1.00 20.00 N ATOM 59 CA SER A 5 16.534 42.121 33.913 1.00 20.00 C ATOM 60 C SER A 5 17.129 40.784 34.383 1.00 20.00 C ATOM 61 O SER A 5 17.809 40.743 35.410 1.00 20.00 O ATOM 62 CB SER A 5 15.067 42.254 34.319 1.00 20.00 C ATOM 63 OG SER A 5 14.941 42.329 35.721 1.00 20.00 O ATOM 0 H SER A 5 15.737 42.370 32.016 1.00 20.00 H new ATOM 0 HA SER A 5 17.123 42.893 34.408 1.00 20.00 H new ATOM 0 HB2 SER A 5 14.638 43.146 33.862 1.00 20.00 H new ATOM 0 HB3 SER A 5 14.502 41.401 33.944 1.00 20.00 H new ATOM 0 HG SER A 5 13.995 42.415 35.960 1.00 20.00 H new ATOM 69 N LYS A 6 16.896 39.707 33.619 1.00 20.00 N ATOM 70 CA LYS A 6 17.408 38.362 33.860 1.00 20.00 C ATOM 71 C LYS A 6 18.921 38.249 33.633 1.00 20.00 C ATOM 72 O LYS A 6 19.542 37.389 34.261 1.00 20.00 O ATOM 73 CB LYS A 6 16.688 37.362 32.940 1.00 20.00 C ATOM 74 CG LYS A 6 15.190 37.159 33.232 1.00 20.00 C ATOM 75 CD LYS A 6 14.954 36.115 34.328 1.00 20.00 C ATOM 76 CE LYS A 6 13.448 35.938 34.537 1.00 20.00 C ATOM 77 NZ LYS A 6 13.152 34.888 35.525 1.00 20.00 N ATOM 0 H LYS A 6 16.319 39.759 32.780 1.00 20.00 H new ATOM 0 HA LYS A 6 17.216 38.134 34.908 1.00 20.00 H new ATOM 0 HB2 LYS A 6 16.798 37.698 31.909 1.00 20.00 H new ATOM 0 HB3 LYS A 6 17.190 36.397 33.016 1.00 20.00 H new ATOM 0 HG2 LYS A 6 14.748 38.108 33.535 1.00 20.00 H new ATOM 0 HG3 LYS A 6 14.682 36.847 32.319 1.00 20.00 H new ATOM 0 HD2 LYS A 6 15.408 35.165 34.046 1.00 20.00 H new ATOM 0 HD3 LYS A 6 15.428 36.432 35.257 1.00 20.00 H new ATOM 0 HE2 LYS A 6 13.014 36.881 34.868 1.00 20.00 H new ATOM 0 HE3 LYS A 6 12.976 35.686 33.587 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 12.122 34.799 35.638 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 13.544 33.982 35.197 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 13.580 35.140 36.439 1.00 20.00 H new ATOM 91 N GLY A 7 19.498 39.087 32.758 1.00 20.00 N ATOM 92 CA GLY A 7 20.934 39.156 32.503 1.00 20.00 C ATOM 93 C GLY A 7 21.372 38.394 31.246 1.00 20.00 C ATOM 94 O GLY A 7 22.401 37.725 31.293 1.00 20.00 O ATOM 0 H GLY A 7 18.961 39.749 32.198 1.00 20.00 H new ATOM 0 HA2 GLY A 7 21.227 40.201 32.405 1.00 20.00 H new ATOM 0 HA3 GLY A 7 21.467 38.755 33.365 1.00 20.00 H new ATOM 98 N PHE A 8 20.613 38.486 30.142 1.00 20.00 N ATOM 99 CA PHE A 8 20.920 37.879 28.846 1.00 20.00 C ATOM 100 C PHE A 8 21.026 38.936 27.733 1.00 20.00 C ATOM 101 O PHE A 8 20.795 40.125 27.967 1.00 20.00 O ATOM 102 CB PHE A 8 19.869 36.812 28.515 1.00 20.00 C ATOM 103 CG PHE A 8 19.655 35.777 29.604 1.00 20.00 C ATOM 104 CD1 PHE A 8 18.406 35.677 30.248 1.00 20.00 C ATOM 105 CD2 PHE A 8 20.696 34.897 29.958 1.00 20.00 C ATOM 106 CE1 PHE A 8 18.190 34.682 31.216 1.00 20.00 C ATOM 107 CE2 PHE A 8 20.486 33.919 30.944 1.00 20.00 C ATOM 108 CZ PHE A 8 19.232 33.805 31.567 1.00 20.00 C ATOM 0 H PHE A 8 19.736 39.006 30.132 1.00 20.00 H new ATOM 0 HA PHE A 8 21.897 37.399 28.910 1.00 20.00 H new ATOM 0 HB2 PHE A 8 18.920 37.307 28.311 1.00 20.00 H new ATOM 0 HB3 PHE A 8 20.165 36.301 27.599 1.00 20.00 H new ATOM 0 HD1 PHE A 8 17.613 36.366 29.997 1.00 20.00 H new ATOM 0 HD2 PHE A 8 21.657 34.974 29.471 1.00 20.00 H new ATOM 0 HE1 PHE A 8 17.224 34.591 31.690 1.00 20.00 H new ATOM 0 HE2 PHE A 8 21.290 33.254 31.224 1.00 20.00 H new ATOM 0 HZ PHE A 8 19.068 33.044 32.315 1.00 20.00 H new ATOM 118 N GLY A 9 21.401 38.489 26.528 1.00 20.00 N ATOM 119 CA GLY A 9 21.710 39.339 25.379 1.00 20.00 C ATOM 120 C GLY A 9 20.546 39.498 24.403 1.00 20.00 C ATOM 121 O GLY A 9 19.541 38.797 24.504 1.00 20.00 O ATOM 0 H GLY A 9 21.500 37.495 26.323 1.00 20.00 H new ATOM 0 HA2 GLY A 9 22.010 40.324 25.737 1.00 20.00 H new ATOM 0 HA3 GLY A 9 22.564 38.920 24.847 1.00 20.00 H new ATOM 125 N CYS A 10 20.720 40.405 23.431 1.00 20.00 N ATOM 126 CA CYS A 10 19.761 40.734 22.382 1.00 20.00 C ATOM 127 C CYS A 10 20.399 40.628 20.989 1.00 20.00 C ATOM 128 O CYS A 10 20.127 41.452 20.117 1.00 20.00 O ATOM 129 CB CYS A 10 19.134 42.111 22.645 1.00 20.00 C ATOM 130 SG CYS A 10 18.226 42.284 24.203 1.00 20.00 S ATOM 0 H CYS A 10 21.577 40.952 23.357 1.00 20.00 H new ATOM 0 HA CYS A 10 18.953 40.002 22.402 1.00 20.00 H new ATOM 0 HB2 CYS A 10 19.926 42.859 22.624 1.00 20.00 H new ATOM 0 HB3 CYS A 10 18.455 42.342 21.824 1.00 20.00 H new ATOM 135 N LEU A 11 21.238 39.601 20.781 1.00 20.00 N ATOM 136 CA LEU A 11 21.863 39.284 19.494 1.00 20.00 C ATOM 137 C LEU A 11 20.799 39.075 18.403 1.00 20.00 C ATOM 138 O LEU A 11 19.679 38.669 18.719 1.00 20.00 O ATOM 139 CB LEU A 11 22.704 37.995 19.620 1.00 20.00 C ATOM 140 CG LEU A 11 24.103 38.123 20.259 1.00 20.00 C ATOM 141 CD1 LEU A 11 25.046 39.013 19.441 1.00 20.00 C ATOM 142 CD2 LEU A 11 24.058 38.623 21.707 1.00 20.00 C ATOM 0 H LEU A 11 21.505 38.954 21.523 1.00 20.00 H new ATOM 0 HA LEU A 11 22.501 40.123 19.215 1.00 20.00 H new ATOM 0 HB2 LEU A 11 22.131 37.274 20.203 1.00 20.00 H new ATOM 0 HB3 LEU A 11 22.826 37.573 18.623 1.00 20.00 H new ATOM 0 HG LEU A 11 24.498 37.107 20.262 1.00 20.00 H new ATOM 0 HD11 LEU A 11 26.015 39.068 19.936 1.00 20.00 H new ATOM 0 HD12 LEU A 11 25.171 38.591 18.444 1.00 20.00 H new ATOM 0 HD13 LEU A 11 24.623 40.014 19.360 1.00 20.00 H new ATOM 0 HD21 LEU A 11 25.072 38.692 22.100 1.00 20.00 H new ATOM 0 HD22 LEU A 11 23.590 39.607 21.738 1.00 20.00 H new ATOM 0 HD23 LEU A 11 23.480 37.927 22.315 1.00 20.00 H new ATOM 154 N PRO A 12 21.139 39.305 17.120 1.00 20.00 N ATOM 155 CA PRO A 12 20.229 39.059 16.011 1.00 20.00 C ATOM 156 C PRO A 12 19.991 37.557 15.806 1.00 20.00 C ATOM 157 O PRO A 12 20.825 36.721 16.159 1.00 20.00 O ATOM 158 CB PRO A 12 20.869 39.738 14.797 1.00 20.00 C ATOM 159 CG PRO A 12 22.361 39.741 15.116 1.00 20.00 C ATOM 160 CD PRO A 12 22.411 39.831 16.643 1.00 20.00 C ATOM 0 HA PRO A 12 19.236 39.469 16.195 1.00 20.00 H new ATOM 0 HB2 PRO A 12 20.659 39.191 13.878 1.00 20.00 H new ATOM 0 HB3 PRO A 12 20.489 40.750 14.660 1.00 20.00 H new ATOM 0 HG2 PRO A 12 22.849 38.836 14.753 1.00 20.00 H new ATOM 0 HG3 PRO A 12 22.868 40.586 14.649 1.00 20.00 H new ATOM 0 HD2 PRO A 12 23.245 39.253 17.040 1.00 20.00 H new ATOM 0 HD3 PRO A 12 22.553 40.862 16.968 1.00 20.00 H new ATOM 168 N GLN A 13 18.845 37.234 15.193 1.00 20.00 N ATOM 169 CA GLN A 13 18.488 35.887 14.747 1.00 20.00 C ATOM 170 C GLN A 13 19.433 35.385 13.636 1.00 20.00 C ATOM 171 O GLN A 13 19.549 34.179 13.425 1.00 20.00 O ATOM 172 CB GLN A 13 17.034 35.887 14.245 1.00 20.00 C ATOM 173 CG GLN A 13 16.014 36.102 15.378 1.00 20.00 C ATOM 174 CD GLN A 13 14.568 36.103 14.878 1.00 20.00 C ATOM 175 OE1 GLN A 13 14.186 35.298 14.032 1.00 20.00 O ATOM 176 NE2 GLN A 13 13.739 37.004 15.404 1.00 20.00 N ATOM 0 H GLN A 13 18.122 37.924 14.989 1.00 20.00 H new ATOM 0 HA GLN A 13 18.589 35.208 15.593 1.00 20.00 H new ATOM 0 HB2 GLN A 13 16.912 36.671 13.498 1.00 20.00 H new ATOM 0 HB3 GLN A 13 16.825 34.939 13.749 1.00 20.00 H new ATOM 0 HG2 GLN A 13 16.135 35.317 16.125 1.00 20.00 H new ATOM 0 HG3 GLN A 13 16.223 37.049 15.875 1.00 20.00 H new ATOM 0 HE21 GLN A 13 14.079 37.662 16.105 1.00 20.00 H new ATOM 0 HE22 GLN A 13 12.764 37.036 15.106 1.00 20.00 H new ATOM 185 N SER A 14 20.131 36.302 12.947 1.00 20.00 N ATOM 186 CA SER A 14 21.163 36.021 11.953 1.00 20.00 C ATOM 187 C SER A 14 22.503 35.587 12.575 1.00 20.00 C ATOM 188 O SER A 14 23.392 35.169 11.833 1.00 20.00 O ATOM 189 CB SER A 14 21.381 37.286 11.111 1.00 20.00 C ATOM 190 OG SER A 14 20.191 37.693 10.465 1.00 20.00 O ATOM 0 H SER A 14 19.980 37.302 13.078 1.00 20.00 H new ATOM 0 HA SER A 14 20.816 35.186 11.344 1.00 20.00 H new ATOM 0 HB2 SER A 14 21.742 38.091 11.750 1.00 20.00 H new ATOM 0 HB3 SER A 14 22.154 37.099 10.366 1.00 20.00 H new ATOM 0 HG SER A 14 20.364 38.502 9.939 1.00 20.00 H new ATOM 196 N ASP A 15 22.659 35.677 13.906 1.00 20.00 N ATOM 197 CA ASP A 15 23.885 35.373 14.642 1.00 20.00 C ATOM 198 C ASP A 15 23.653 34.220 15.617 1.00 20.00 C ATOM 199 O ASP A 15 24.251 33.159 15.436 1.00 20.00 O ATOM 200 CB ASP A 15 24.394 36.635 15.356 1.00 20.00 C ATOM 201 CG ASP A 15 25.628 36.357 16.214 1.00 20.00 C ATOM 202 OD1 ASP A 15 25.443 36.109 17.426 1.00 20.00 O ATOM 203 OD2 ASP A 15 26.743 36.391 15.652 1.00 20.00 O ATOM 0 H ASP A 15 21.900 35.976 14.518 1.00 20.00 H new ATOM 0 HA ASP A 15 24.656 35.052 13.941 1.00 20.00 H new ATOM 0 HB2 ASP A 15 24.634 37.398 14.615 1.00 20.00 H new ATOM 0 HB3 ASP A 15 23.601 37.039 15.985 1.00 20.00 H new ATOM 208 N CYS A 16 22.824 34.420 16.653 1.00 20.00 N ATOM 209 CA CYS A 16 22.624 33.436 17.706 1.00 20.00 C ATOM 210 C CYS A 16 21.937 32.162 17.183 1.00 20.00 C ATOM 211 O CYS A 16 21.109 32.245 16.269 1.00 20.00 O ATOM 212 CB CYS A 16 21.844 34.069 18.866 1.00 20.00 C ATOM 213 SG CYS A 16 22.926 34.515 20.252 1.00 20.00 S ATOM 0 H CYS A 16 22.277 35.272 16.776 1.00 20.00 H new ATOM 0 HA CYS A 16 23.601 33.124 18.074 1.00 20.00 H new ATOM 0 HB2 CYS A 16 21.325 34.959 18.510 1.00 20.00 H new ATOM 0 HB3 CYS A 16 21.081 33.372 19.212 1.00 20.00 H new ATOM 218 N PRO A 17 22.265 30.987 17.768 1.00 20.00 N ATOM 219 CA PRO A 17 21.737 29.699 17.338 1.00 20.00 C ATOM 220 C PRO A 17 20.266 29.539 17.747 1.00 20.00 C ATOM 221 O PRO A 17 19.738 30.319 18.542 1.00 20.00 O ATOM 222 CB PRO A 17 22.648 28.659 17.999 1.00 20.00 C ATOM 223 CG PRO A 17 23.077 29.337 19.301 1.00 20.00 C ATOM 224 CD PRO A 17 23.211 30.796 18.866 1.00 20.00 C ATOM 0 HA PRO A 17 21.738 29.588 16.254 1.00 20.00 H new ATOM 0 HB2 PRO A 17 22.119 27.725 18.188 1.00 20.00 H new ATOM 0 HB3 PRO A 17 23.505 28.419 17.370 1.00 20.00 H new ATOM 0 HG2 PRO A 17 22.336 29.212 20.090 1.00 20.00 H new ATOM 0 HG3 PRO A 17 24.017 28.936 19.680 1.00 20.00 H new ATOM 0 HD2 PRO A 17 22.988 31.470 19.693 1.00 20.00 H new ATOM 0 HD3 PRO A 17 24.229 31.013 18.544 1.00 20.00 H new ATOM 232 N GLN A 18 19.613 28.522 17.179 1.00 20.00 N ATOM 233 CA GLN A 18 18.172 28.275 17.256 1.00 20.00 C ATOM 234 C GLN A 18 17.747 27.552 18.550 1.00 20.00 C ATOM 235 O GLN A 18 16.595 27.141 18.673 1.00 20.00 O ATOM 236 CB GLN A 18 17.746 27.522 15.975 1.00 20.00 C ATOM 237 CG GLN A 18 17.887 28.407 14.722 1.00 20.00 C ATOM 238 CD GLN A 18 17.699 27.600 13.439 1.00 20.00 C ATOM 239 OE1 GLN A 18 18.667 27.276 12.756 1.00 20.00 O ATOM 240 NE2 GLN A 18 16.457 27.269 13.098 1.00 20.00 N ATOM 0 H GLN A 18 20.098 27.815 16.627 1.00 20.00 H new ATOM 0 HA GLN A 18 17.647 29.229 17.307 1.00 20.00 H new ATOM 0 HB2 GLN A 18 18.357 26.627 15.859 1.00 20.00 H new ATOM 0 HB3 GLN A 18 16.712 27.192 16.073 1.00 20.00 H new ATOM 0 HG2 GLN A 18 17.151 29.210 14.758 1.00 20.00 H new ATOM 0 HG3 GLN A 18 18.871 28.876 14.716 1.00 20.00 H new ATOM 0 HE21 GLN A 18 15.674 27.553 13.686 1.00 20.00 H new ATOM 0 HE22 GLN A 18 16.288 26.731 12.248 1.00 20.00 H new ATOM 249 N GLU A 19 18.671 27.426 19.515 1.00 20.00 N ATOM 250 CA GLU A 19 18.534 26.664 20.760 1.00 20.00 C ATOM 251 C GLU A 19 18.719 27.524 22.019 1.00 20.00 C ATOM 252 O GLU A 19 18.017 27.295 23.015 1.00 20.00 O ATOM 253 CB GLU A 19 19.507 25.473 20.748 1.00 20.00 C ATOM 254 CG GLU A 19 20.917 25.788 20.226 1.00 20.00 C ATOM 255 CD GLU A 19 21.844 24.586 20.406 1.00 20.00 C ATOM 256 OE1 GLU A 19 21.769 23.670 19.558 1.00 20.00 O ATOM 257 OE2 GLU A 19 22.607 24.580 21.397 1.00 20.00 O ATOM 0 H GLU A 19 19.582 27.879 19.441 1.00 20.00 H new ATOM 0 HA GLU A 19 17.510 26.295 20.805 1.00 20.00 H new ATOM 0 HB2 GLU A 19 19.591 25.082 21.762 1.00 20.00 H new ATOM 0 HB3 GLU A 19 19.078 24.680 20.135 1.00 20.00 H new ATOM 0 HG2 GLU A 19 20.867 26.060 19.172 1.00 20.00 H new ATOM 0 HG3 GLU A 19 21.323 26.649 20.758 1.00 20.00 H new ATOM 264 N ALA A 20 19.599 28.523 21.977 1.00 20.00 N ATOM 265 CA ALA A 20 19.795 29.525 23.031 1.00 20.00 C ATOM 266 C ALA A 20 18.609 30.511 23.155 1.00 20.00 C ATOM 267 O ALA A 20 18.589 31.316 24.084 1.00 20.00 O ATOM 268 CB ALA A 20 21.087 30.294 22.743 1.00 20.00 C ATOM 0 H ALA A 20 20.219 28.665 21.180 1.00 20.00 H new ATOM 0 HA ALA A 20 19.860 28.999 23.983 1.00 20.00 H new ATOM 0 HB1 ALA A 20 21.245 31.043 23.519 1.00 20.00 H new ATOM 0 HB2 ALA A 20 21.928 29.601 22.731 1.00 20.00 H new ATOM 0 HB3 ALA A 20 21.009 30.787 21.774 1.00 20.00 H new ATOM 274 N ARG A 21 17.641 30.464 22.228 1.00 20.00 N ATOM 275 CA ARG A 21 16.510 31.380 22.134 1.00 20.00 C ATOM 276 C ARG A 21 15.505 31.152 23.264 1.00 20.00 C ATOM 277 O ARG A 21 14.819 30.131 23.283 1.00 20.00 O ATOM 278 CB ARG A 21 15.844 31.257 20.751 1.00 20.00 C ATOM 279 CG ARG A 21 16.875 31.481 19.639 1.00 20.00 C ATOM 280 CD ARG A 21 16.238 31.474 18.238 1.00 20.00 C ATOM 281 NE ARG A 21 17.264 31.754 17.236 1.00 20.00 N ATOM 282 CZ ARG A 21 17.054 32.132 15.964 1.00 20.00 C ATOM 283 NH1 ARG A 21 15.831 32.329 15.475 1.00 20.00 N ATOM 284 NH2 ARG A 21 18.105 32.304 15.167 1.00 20.00 N ATOM 0 H ARG A 21 17.631 29.754 21.495 1.00 20.00 H new ATOM 0 HA ARG A 21 16.883 32.398 22.247 1.00 20.00 H new ATOM 0 HB2 ARG A 21 15.393 30.270 20.644 1.00 20.00 H new ATOM 0 HB3 ARG A 21 15.039 31.987 20.662 1.00 20.00 H new ATOM 0 HG2 ARG A 21 17.379 32.434 19.801 1.00 20.00 H new ATOM 0 HG3 ARG A 21 17.637 30.704 19.692 1.00 20.00 H new ATOM 0 HD2 ARG A 21 15.777 30.506 18.041 1.00 20.00 H new ATOM 0 HD3 ARG A 21 15.447 32.222 18.183 1.00 20.00 H new ATOM 0 HE ARG A 21 18.235 31.653 17.531 1.00 20.00 H new ATOM 0 HH11 ARG A 21 15.015 32.193 16.072 1.00 20.00 H new ATOM 0 HH12 ARG A 21 15.710 32.616 14.504 1.00 20.00 H new ATOM 0 HH21 ARG A 21 19.047 32.149 15.525 1.00 20.00 H new ATOM 0 HH22 ARG A 21 17.968 32.591 14.198 1.00 20.00 H new ATOM 298 N LEU A 22 15.452 32.090 24.215 1.00 20.00 N ATOM 299 CA LEU A 22 14.622 32.051 25.417 1.00 20.00 C ATOM 300 C LEU A 22 13.133 32.274 25.119 1.00 20.00 C ATOM 301 O LEU A 22 12.753 32.658 24.013 1.00 20.00 O ATOM 302 CB LEU A 22 15.129 33.118 26.404 1.00 20.00 C ATOM 303 CG LEU A 22 16.514 32.786 26.992 1.00 20.00 C ATOM 304 CD1 LEU A 22 17.128 34.045 27.599 1.00 20.00 C ATOM 305 CD2 LEU A 22 16.435 31.673 28.048 1.00 20.00 C ATOM 0 H LEU A 22 16.016 32.938 24.162 1.00 20.00 H new ATOM 0 HA LEU A 22 14.706 31.054 25.850 1.00 20.00 H new ATOM 0 HB2 LEU A 22 15.178 34.081 25.896 1.00 20.00 H new ATOM 0 HB3 LEU A 22 14.411 33.223 27.217 1.00 20.00 H new ATOM 0 HG LEU A 22 17.146 32.422 26.181 1.00 20.00 H new ATOM 0 HD11 LEU A 22 18.108 33.808 28.014 1.00 20.00 H new ATOM 0 HD12 LEU A 22 17.236 34.806 26.826 1.00 20.00 H new ATOM 0 HD13 LEU A 22 16.480 34.421 28.390 1.00 20.00 H new ATOM 0 HD21 LEU A 22 17.433 31.469 28.437 1.00 20.00 H new ATOM 0 HD22 LEU A 22 15.785 31.991 28.863 1.00 20.00 H new ATOM 0 HD23 LEU A 22 16.031 30.768 27.594 1.00 20.00 H new ATOM 317 N SER A 23 12.300 32.039 26.144 1.00 20.00 N ATOM 318 CA SER A 23 10.847 32.222 26.109 1.00 20.00 C ATOM 319 C SER A 23 10.416 33.658 26.448 1.00 20.00 C ATOM 320 O SER A 23 9.288 34.040 26.136 1.00 20.00 O ATOM 321 CB SER A 23 10.189 31.223 27.073 1.00 20.00 C ATOM 322 OG SER A 23 10.549 31.479 28.419 1.00 20.00 O ATOM 0 H SER A 23 12.633 31.705 27.048 1.00 20.00 H new ATOM 0 HA SER A 23 10.515 32.036 25.088 1.00 20.00 H new ATOM 0 HB2 SER A 23 9.105 31.277 26.970 1.00 20.00 H new ATOM 0 HB3 SER A 23 10.484 30.209 26.804 1.00 20.00 H new ATOM 0 HG SER A 23 10.111 30.826 29.004 1.00 20.00 H new ATOM 328 N TYR A 24 11.308 34.443 27.070 1.00 20.00 N ATOM 329 CA TYR A 24 11.104 35.815 27.491 1.00 20.00 C ATOM 330 C TYR A 24 11.061 36.784 26.293 1.00 20.00 C ATOM 331 O TYR A 24 11.386 36.418 25.160 1.00 20.00 O ATOM 332 CB TYR A 24 12.269 36.194 28.418 1.00 20.00 C ATOM 333 CG TYR A 24 12.536 35.275 29.597 1.00 20.00 C ATOM 334 CD1 TYR A 24 11.512 34.929 30.506 1.00 20.00 C ATOM 335 CD2 TYR A 24 13.834 34.797 29.809 1.00 20.00 C ATOM 336 CE1 TYR A 24 11.804 34.112 31.616 1.00 20.00 C ATOM 337 CE2 TYR A 24 14.129 33.958 30.896 1.00 20.00 C ATOM 338 CZ TYR A 24 13.118 33.616 31.818 1.00 20.00 C ATOM 339 OH TYR A 24 13.401 32.837 32.898 1.00 20.00 O ATOM 0 H TYR A 24 12.243 34.106 27.301 1.00 20.00 H new ATOM 0 HA TYR A 24 10.145 35.893 28.002 1.00 20.00 H new ATOM 0 HB2 TYR A 24 13.177 36.248 27.817 1.00 20.00 H new ATOM 0 HB3 TYR A 24 12.083 37.196 28.804 1.00 20.00 H new ATOM 0 HD1 TYR A 24 10.506 35.290 30.350 1.00 20.00 H new ATOM 0 HD2 TYR A 24 14.622 35.078 29.126 1.00 20.00 H new ATOM 0 HE1 TYR A 24 11.022 33.862 32.318 1.00 20.00 H new ATOM 0 HE2 TYR A 24 15.130 33.575 31.026 1.00 20.00 H new ATOM 0 HH TYR A 24 14.348 32.584 32.880 1.00 20.00 H new ATOM 349 N GLY A 25 10.709 38.045 26.577 1.00 20.00 N ATOM 350 CA GLY A 25 10.805 39.173 25.660 1.00 20.00 C ATOM 351 C GLY A 25 11.452 40.370 26.357 1.00 20.00 C ATOM 352 O GLY A 25 11.309 40.546 27.567 1.00 20.00 O ATOM 0 H GLY A 25 10.336 38.310 27.489 1.00 20.00 H new ATOM 0 HA2 GLY A 25 11.393 38.891 24.786 1.00 20.00 H new ATOM 0 HA3 GLY A 25 9.812 39.445 25.302 1.00 20.00 H new ATOM 356 N GLY A 26 12.158 41.196 25.578 1.00 20.00 N ATOM 357 CA GLY A 26 12.902 42.348 26.078 1.00 20.00 C ATOM 358 C GLY A 26 14.051 42.790 25.168 1.00 20.00 C ATOM 359 O GLY A 26 14.996 43.402 25.666 1.00 20.00 O ATOM 0 H GLY A 26 12.227 41.078 24.567 1.00 20.00 H new ATOM 0 HA2 GLY A 26 12.214 43.183 26.209 1.00 20.00 H new ATOM 0 HA3 GLY A 26 13.303 42.109 27.063 1.00 20.00 H new ATOM 363 N CYS A 27 13.999 42.467 23.867 1.00 20.00 N ATOM 364 CA CYS A 27 15.078 42.667 22.900 1.00 20.00 C ATOM 365 C CYS A 27 14.566 43.244 21.575 1.00 20.00 C ATOM 366 O CYS A 27 13.369 43.446 21.383 1.00 20.00 O ATOM 367 CB CYS A 27 15.803 41.330 22.693 1.00 20.00 C ATOM 368 SG CYS A 27 16.836 40.806 24.080 1.00 20.00 S ATOM 0 H CYS A 27 13.171 42.044 23.448 1.00 20.00 H new ATOM 0 HA CYS A 27 15.778 43.404 23.294 1.00 20.00 H new ATOM 0 HB2 CYS A 27 15.060 40.556 22.499 1.00 20.00 H new ATOM 0 HB3 CYS A 27 16.426 41.405 21.802 1.00 20.00 H new ATOM 373 N SER A 28 15.511 43.516 20.660 1.00 20.00 N ATOM 374 CA SER A 28 15.245 44.081 19.341 1.00 20.00 C ATOM 375 C SER A 28 14.986 43.001 18.288 1.00 20.00 C ATOM 376 O SER A 28 14.413 43.296 17.241 1.00 20.00 O ATOM 377 CB SER A 28 16.439 44.948 18.910 1.00 20.00 C ATOM 378 OG SER A 28 17.639 44.197 18.845 1.00 20.00 O ATOM 0 H SER A 28 16.502 43.342 20.828 1.00 20.00 H new ATOM 0 HA SER A 28 14.341 44.686 19.415 1.00 20.00 H new ATOM 0 HB2 SER A 28 16.234 45.390 17.935 1.00 20.00 H new ATOM 0 HB3 SER A 28 16.563 45.771 19.614 1.00 20.00 H new ATOM 0 HG SER A 28 18.375 44.780 18.566 1.00 20.00 H new ATOM 384 N THR A 29 15.420 41.763 18.571 1.00 20.00 N ATOM 385 CA THR A 29 15.488 40.661 17.623 1.00 20.00 C ATOM 386 C THR A 29 15.111 39.340 18.299 1.00 20.00 C ATOM 387 O THR A 29 14.086 38.754 17.957 1.00 20.00 O ATOM 388 CB THR A 29 16.880 40.588 16.966 1.00 20.00 C ATOM 389 OG1 THR A 29 17.917 40.816 17.912 1.00 20.00 O ATOM 390 CG2 THR A 29 17.033 41.612 15.833 1.00 20.00 C ATOM 0 H THR A 29 15.743 41.502 19.503 1.00 20.00 H new ATOM 0 HA THR A 29 14.762 40.843 16.830 1.00 20.00 H new ATOM 0 HB THR A 29 16.966 39.580 16.559 1.00 20.00 H new ATOM 0 HG1 THR A 29 18.368 39.970 18.114 1.00 20.00 H new ATOM 0 HG21 THR A 29 18.028 41.527 15.397 1.00 20.00 H new ATOM 0 HG22 THR A 29 16.283 41.420 15.065 1.00 20.00 H new ATOM 0 HG23 THR A 29 16.896 42.618 16.231 1.00 20.00 H new ATOM 398 N VAL A 30 15.933 38.871 19.248 1.00 20.00 N ATOM 399 CA VAL A 30 15.721 37.639 20.004 1.00 20.00 C ATOM 400 C VAL A 30 16.546 37.683 21.293 1.00 20.00 C ATOM 401 O VAL A 30 17.688 38.143 21.290 1.00 20.00 O ATOM 402 CB VAL A 30 16.052 36.406 19.121 1.00 20.00 C ATOM 403 CG1 VAL A 30 17.497 36.348 18.601 1.00 20.00 C ATOM 404 CG2 VAL A 30 15.737 35.086 19.826 1.00 20.00 C ATOM 0 H VAL A 30 16.789 39.357 19.515 1.00 20.00 H new ATOM 0 HA VAL A 30 14.673 37.548 20.289 1.00 20.00 H new ATOM 0 HB VAL A 30 15.401 36.539 18.257 1.00 20.00 H new ATOM 0 HG11 VAL A 30 17.630 35.452 17.995 1.00 20.00 H new ATOM 0 HG12 VAL A 30 17.701 37.230 17.994 1.00 20.00 H new ATOM 0 HG13 VAL A 30 18.187 36.321 19.445 1.00 20.00 H new ATOM 0 HG21 VAL A 30 15.986 34.254 19.168 1.00 20.00 H new ATOM 0 HG22 VAL A 30 16.325 35.013 20.741 1.00 20.00 H new ATOM 0 HG23 VAL A 30 14.676 35.049 20.072 1.00 20.00 H new ATOM 414 N CYS A 31 15.963 37.173 22.387 1.00 20.00 N ATOM 415 CA CYS A 31 16.626 36.996 23.672 1.00 20.00 C ATOM 416 C CYS A 31 17.506 35.743 23.628 1.00 20.00 C ATOM 417 O CYS A 31 16.982 34.626 23.676 1.00 20.00 O ATOM 418 CB CYS A 31 15.602 36.937 24.807 1.00 20.00 C ATOM 419 SG CYS A 31 14.602 38.436 24.955 1.00 20.00 S ATOM 0 H CYS A 31 14.990 36.866 22.395 1.00 20.00 H new ATOM 0 HA CYS A 31 17.268 37.854 23.869 1.00 20.00 H new ATOM 0 HB2 CYS A 31 14.942 36.084 24.647 1.00 20.00 H new ATOM 0 HB3 CYS A 31 16.124 36.764 25.748 1.00 20.00 H new ATOM 424 N CYS A 32 18.827 35.939 23.521 1.00 20.00 N ATOM 425 CA CYS A 32 19.809 34.867 23.416 1.00 20.00 C ATOM 426 C CYS A 32 20.486 34.615 24.766 1.00 20.00 C ATOM 427 O CYS A 32 21.153 35.505 25.286 1.00 20.00 O ATOM 428 CB CYS A 32 20.818 35.229 22.318 1.00 20.00 C ATOM 429 SG CYS A 32 21.939 33.872 21.908 1.00 20.00 S ATOM 0 H CYS A 32 19.245 36.869 23.505 1.00 20.00 H new ATOM 0 HA CYS A 32 19.317 33.934 23.141 1.00 20.00 H new ATOM 0 HB2 CYS A 32 20.277 35.529 21.421 1.00 20.00 H new ATOM 0 HB3 CYS A 32 21.403 36.090 22.640 1.00 20.00 H new ATOM 434 N ASP A 33 20.307 33.407 25.323 1.00 20.00 N ATOM 435 CA ASP A 33 20.870 32.952 26.599 1.00 20.00 C ATOM 436 C ASP A 33 22.399 32.840 26.503 1.00 20.00 C ATOM 437 O ASP A 33 22.924 31.854 25.985 1.00 20.00 O ATOM 438 CB ASP A 33 20.233 31.601 26.978 1.00 20.00 C ATOM 439 CG ASP A 33 20.580 31.126 28.395 1.00 20.00 C ATOM 440 OD1 ASP A 33 21.548 31.606 28.976 1.00 20.00 O ATOM 441 OD2 ASP A 33 19.820 30.221 28.877 1.00 20.00 O ATOM 0 H ASP A 33 19.739 32.689 24.873 1.00 20.00 H new ATOM 0 HA ASP A 33 20.645 33.679 27.379 1.00 20.00 H new ATOM 0 HB2 ASP A 33 19.150 31.683 26.888 1.00 20.00 H new ATOM 0 HB3 ASP A 33 20.556 30.845 26.263 1.00 20.00 H new ATOM 446 N LEU A 34 23.111 33.849 27.007 1.00 20.00 N ATOM 447 CA LEU A 34 24.567 33.921 26.984 1.00 20.00 C ATOM 448 C LEU A 34 25.229 32.980 28.001 1.00 20.00 C ATOM 449 O LEU A 34 26.413 32.683 27.847 1.00 20.00 O ATOM 450 CB LEU A 34 25.030 35.363 27.257 1.00 20.00 C ATOM 451 CG LEU A 34 24.385 36.447 26.367 1.00 20.00 C ATOM 452 CD1 LEU A 34 24.999 37.809 26.708 1.00 20.00 C ATOM 453 CD2 LEU A 34 24.547 36.159 24.868 1.00 20.00 C ATOM 0 H LEU A 34 22.677 34.657 27.453 1.00 20.00 H new ATOM 0 HA LEU A 34 24.877 33.601 25.989 1.00 20.00 H new ATOM 0 HB2 LEU A 34 24.821 35.602 28.300 1.00 20.00 H new ATOM 0 HB3 LEU A 34 26.112 35.409 27.130 1.00 20.00 H new ATOM 0 HG LEU A 34 23.315 36.448 26.573 1.00 20.00 H new ATOM 0 HD11 LEU A 34 24.547 38.579 26.082 1.00 20.00 H new ATOM 0 HD12 LEU A 34 24.814 38.039 27.757 1.00 20.00 H new ATOM 0 HD13 LEU A 34 26.074 37.779 26.527 1.00 20.00 H new ATOM 0 HD21 LEU A 34 24.074 36.954 24.292 1.00 20.00 H new ATOM 0 HD22 LEU A 34 25.607 36.111 24.619 1.00 20.00 H new ATOM 0 HD23 LEU A 34 24.075 35.207 24.627 1.00 20.00 H new ATOM 465 N SER A 35 24.493 32.501 29.015 1.00 20.00 N ATOM 466 CA SER A 35 25.020 31.659 30.090 1.00 20.00 C ATOM 467 C SER A 35 25.343 30.229 29.624 1.00 20.00 C ATOM 468 O SER A 35 26.181 29.570 30.240 1.00 20.00 O ATOM 469 CB SER A 35 24.023 31.653 31.256 1.00 20.00 C ATOM 470 OG SER A 35 24.590 31.048 32.401 1.00 20.00 O ATOM 0 H SER A 35 23.496 32.694 29.109 1.00 20.00 H new ATOM 0 HA SER A 35 25.968 32.084 30.419 1.00 20.00 H new ATOM 0 HB2 SER A 35 23.724 32.675 31.490 1.00 20.00 H new ATOM 0 HB3 SER A 35 23.120 31.116 30.965 1.00 20.00 H new ATOM 0 HG SER A 35 23.938 31.056 33.132 1.00 20.00 H new ATOM 476 N LYS A 36 24.731 29.783 28.516 1.00 20.00 N ATOM 477 CA LYS A 36 24.974 28.498 27.855 1.00 20.00 C ATOM 478 C LYS A 36 25.684 28.629 26.499 1.00 20.00 C ATOM 479 O LYS A 36 26.003 27.616 25.877 1.00 20.00 O ATOM 480 CB LYS A 36 23.652 27.710 27.745 1.00 20.00 C ATOM 481 CG LYS A 36 22.579 28.440 26.916 1.00 20.00 C ATOM 482 CD LYS A 36 21.214 27.730 26.862 1.00 20.00 C ATOM 483 CE LYS A 36 21.123 26.571 25.862 1.00 20.00 C ATOM 484 NZ LYS A 36 21.786 25.345 26.340 1.00 20.00 N ATOM 0 H LYS A 36 24.021 30.337 28.037 1.00 20.00 H new ATOM 0 HA LYS A 36 25.670 27.937 28.479 1.00 20.00 H new ATOM 0 HB2 LYS A 36 23.852 26.738 27.294 1.00 20.00 H new ATOM 0 HB3 LYS A 36 23.264 27.523 28.746 1.00 20.00 H new ATOM 0 HG2 LYS A 36 22.438 29.439 27.329 1.00 20.00 H new ATOM 0 HG3 LYS A 36 22.949 28.565 25.898 1.00 20.00 H new ATOM 0 HD2 LYS A 36 20.980 27.351 27.857 1.00 20.00 H new ATOM 0 HD3 LYS A 36 20.449 28.465 26.613 1.00 20.00 H new ATOM 0 HE2 LYS A 36 20.074 26.355 25.659 1.00 20.00 H new ATOM 0 HE3 LYS A 36 21.574 26.877 24.918 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 21.296 24.513 25.955 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 22.777 25.340 26.024 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 21.754 25.316 27.379 1.00 20.00 H new ATOM 577 N LYS A 43 29.256 25.581 25.267 1.00 20.00 N ATOM 578 CA LYS A 43 29.199 24.764 24.055 1.00 20.00 C ATOM 579 C LYS A 43 29.650 23.317 24.317 1.00 20.00 C ATOM 580 O LYS A 43 29.235 22.414 23.591 1.00 20.00 O ATOM 581 CB LYS A 43 30.084 25.395 22.974 1.00 20.00 C ATOM 582 CG LYS A 43 29.547 26.758 22.507 1.00 20.00 C ATOM 583 CD LYS A 43 30.255 27.247 21.235 1.00 20.00 C ATOM 584 CE LYS A 43 29.883 28.698 20.908 1.00 20.00 C ATOM 585 NZ LYS A 43 28.488 28.827 20.448 1.00 20.00 N ATOM 0 HA LYS A 43 28.162 24.730 23.720 1.00 20.00 H new ATOM 0 HB2 LYS A 43 31.096 25.518 23.361 1.00 20.00 H new ATOM 0 HB3 LYS A 43 30.149 24.720 22.120 1.00 20.00 H new ATOM 0 HG2 LYS A 43 28.476 26.681 22.320 1.00 20.00 H new ATOM 0 HG3 LYS A 43 29.680 27.492 23.302 1.00 20.00 H new ATOM 0 HD2 LYS A 43 31.334 27.167 21.364 1.00 20.00 H new ATOM 0 HD3 LYS A 43 29.986 26.604 20.397 1.00 20.00 H new ATOM 0 HE2 LYS A 43 30.030 29.317 21.793 1.00 20.00 H new ATOM 0 HE3 LYS A 43 30.554 29.078 20.138 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 28.282 29.825 20.239 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 28.352 28.258 19.588 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 27.845 28.489 21.192 1.00 20.00 H new ATOM 599 N GLY A 44 30.479 23.117 25.352 1.00 20.00 N ATOM 600 CA GLY A 44 31.055 21.847 25.772 1.00 20.00 C ATOM 601 C GLY A 44 32.558 21.749 25.495 1.00 20.00 C ATOM 602 O GLY A 44 33.191 20.799 25.949 1.00 20.00 O ATOM 0 H GLY A 44 30.778 23.888 25.949 1.00 20.00 H new ATOM 0 HA2 GLY A 44 30.878 21.710 26.839 1.00 20.00 H new ATOM 0 HA3 GLY A 44 30.543 21.034 25.257 1.00 20.00 H new ATOM 606 N GLY A 45 33.132 22.725 24.776 1.00 20.00 N ATOM 607 CA GLY A 45 34.547 22.809 24.436 1.00 20.00 C ATOM 608 C GLY A 45 34.941 21.837 23.322 1.00 20.00 C ATOM 609 O GLY A 45 34.297 20.808 23.109 1.00 20.00 O ATOM 0 H GLY A 45 32.594 23.507 24.403 1.00 20.00 H new ATOM 0 HA2 GLY A 45 34.783 23.827 24.126 1.00 20.00 H new ATOM 0 HA3 GLY A 45 35.144 22.600 25.324 1.00 20.00 H new ATOM 613 N GLU A 46 36.036 22.169 22.633 1.00 20.00 N ATOM 614 CA GLU A 46 36.575 21.384 21.531 1.00 20.00 C ATOM 615 C GLU A 46 37.627 20.391 22.049 1.00 20.00 C ATOM 616 O GLU A 46 38.439 20.713 22.918 1.00 20.00 O ATOM 617 CB GLU A 46 37.149 22.345 20.474 1.00 20.00 C ATOM 618 CG GLU A 46 37.390 21.672 19.117 1.00 20.00 C ATOM 619 CD GLU A 46 36.077 21.226 18.470 1.00 20.00 C ATOM 620 OE1 GLU A 46 35.833 20.000 18.441 1.00 20.00 O ATOM 621 OE2 GLU A 46 35.319 22.113 18.018 1.00 20.00 O ATOM 0 H GLU A 46 36.580 23.008 22.833 1.00 20.00 H new ATOM 0 HA GLU A 46 35.788 20.792 21.065 1.00 20.00 H new ATOM 0 HB2 GLU A 46 36.463 23.181 20.341 1.00 20.00 H new ATOM 0 HB3 GLU A 46 38.089 22.759 20.840 1.00 20.00 H new ATOM 0 HG2 GLU A 46 37.907 22.365 18.453 1.00 20.00 H new ATOM 0 HG3 GLU A 46 38.043 20.809 19.249 1.00 20.00 H new ATOM 628 N CYS A 47 37.605 19.175 21.490 1.00 20.00 N ATOM 629 CA CYS A 47 38.471 18.048 21.851 1.00 20.00 C ATOM 630 C CYS A 47 39.817 18.050 21.091 1.00 20.00 C ATOM 631 O CYS A 47 40.563 17.074 21.176 1.00 20.00 O ATOM 632 CB CYS A 47 37.672 16.773 21.572 1.00 20.00 C ATOM 633 SG CYS A 47 38.127 15.271 22.480 1.00 20.00 S ATOM 0 H CYS A 47 36.954 18.940 20.741 1.00 20.00 H new ATOM 0 HA CYS A 47 38.748 18.120 22.903 1.00 20.00 H new ATOM 0 HB2 CYS A 47 36.623 16.984 21.779 1.00 20.00 H new ATOM 0 HB3 CYS A 47 37.750 16.556 20.507 1.00 20.00 H new ATOM 638 N ASN A 48 40.114 19.135 20.353 1.00 20.00 N ATOM 639 CA ASN A 48 41.331 19.406 19.581 1.00 20.00 C ATOM 640 C ASN A 48 42.629 19.109 20.358 1.00 20.00 C ATOM 641 O ASN A 48 42.640 19.262 21.580 1.00 20.00 O ATOM 642 CB ASN A 48 41.300 20.877 19.105 1.00 20.00 C ATOM 643 CG ASN A 48 41.516 21.915 20.216 1.00 20.00 C ATOM 644 OD1 ASN A 48 42.463 22.695 20.168 1.00 20.00 O ATOM 645 ND2 ASN A 48 40.648 21.940 21.224 1.00 20.00 N ATOM 0 H ASN A 48 39.451 19.906 20.278 1.00 20.00 H new ATOM 0 HA ASN A 48 41.340 18.728 18.727 1.00 20.00 H new ATOM 0 HB2 ASN A 48 42.068 21.015 18.344 1.00 20.00 H new ATOM 0 HB3 ASN A 48 40.339 21.070 18.628 1.00 20.00 H new ATOM 0 HD21 ASN A 48 40.762 22.617 21.978 1.00 20.00 H new ATOM 0 HD22 ASN A 48 39.869 21.282 21.242 1.00 20.00 H new ATOM 652 N PRO A 49 43.729 18.724 19.670 1.00 20.00 N ATOM 653 CA PRO A 49 44.945 18.233 20.315 1.00 20.00 C ATOM 654 C PRO A 49 45.637 19.299 21.169 1.00 20.00 C ATOM 655 O PRO A 49 45.447 20.497 20.965 1.00 20.00 O ATOM 656 CB PRO A 49 45.839 17.725 19.176 1.00 20.00 C ATOM 657 CG PRO A 49 45.360 18.490 17.946 1.00 20.00 C ATOM 658 CD PRO A 49 43.867 18.645 18.220 1.00 20.00 C ATOM 0 HA PRO A 49 44.715 17.438 21.025 1.00 20.00 H new ATOM 0 HB2 PRO A 49 46.892 17.920 19.380 1.00 20.00 H new ATOM 0 HB3 PRO A 49 45.735 16.649 19.040 1.00 20.00 H new ATOM 0 HG2 PRO A 49 45.858 19.455 17.848 1.00 20.00 H new ATOM 0 HG3 PRO A 49 45.549 17.939 17.025 1.00 20.00 H new ATOM 0 HD2 PRO A 49 43.474 19.542 17.741 1.00 20.00 H new ATOM 0 HD3 PRO A 49 43.307 17.799 17.821 1.00 20.00 H new ATOM 666 N LEU A 50 46.483 18.841 22.099 1.00 20.00 N ATOM 667 CA LEU A 50 47.369 19.704 22.871 1.00 20.00 C ATOM 668 C LEU A 50 48.384 20.443 21.989 1.00 20.00 C ATOM 669 O LEU A 50 48.895 21.482 22.393 1.00 20.00 O ATOM 670 CB LEU A 50 48.102 18.851 23.923 1.00 20.00 C ATOM 671 CG LEU A 50 47.222 18.382 25.115 1.00 20.00 C ATOM 672 CD1 LEU A 50 47.980 17.315 25.903 1.00 20.00 C ATOM 673 CD2 LEU A 50 46.893 19.542 26.063 1.00 20.00 C ATOM 0 H LEU A 50 46.569 17.852 22.335 1.00 20.00 H new ATOM 0 HA LEU A 50 46.760 20.467 23.355 1.00 20.00 H new ATOM 0 HB2 LEU A 50 48.519 17.972 23.431 1.00 20.00 H new ATOM 0 HB3 LEU A 50 48.942 19.426 24.314 1.00 20.00 H new ATOM 0 HG LEU A 50 46.290 17.987 24.712 1.00 20.00 H new ATOM 0 HD11 LEU A 50 47.370 16.980 26.742 1.00 20.00 H new ATOM 0 HD12 LEU A 50 48.198 16.468 25.252 1.00 20.00 H new ATOM 0 HD13 LEU A 50 48.914 17.734 26.278 1.00 20.00 H new ATOM 0 HD21 LEU A 50 46.276 19.177 26.884 1.00 20.00 H new ATOM 0 HD22 LEU A 50 47.818 19.960 26.461 1.00 20.00 H new ATOM 0 HD23 LEU A 50 46.351 20.315 25.518 1.00 20.00 H new ATOM 685 N ASP A 51 48.636 19.939 20.778 1.00 20.00 N ATOM 686 CA ASP A 51 49.532 20.520 19.789 1.00 20.00 C ATOM 687 C ASP A 51 48.908 21.714 19.026 1.00 20.00 C ATOM 688 O ASP A 51 49.647 22.507 18.437 1.00 20.00 O ATOM 689 CB ASP A 51 49.955 19.403 18.820 1.00 20.00 C ATOM 690 CG ASP A 51 51.085 19.811 17.867 1.00 20.00 C ATOM 691 OD1 ASP A 51 50.963 19.499 16.660 1.00 20.00 O ATOM 692 OD2 ASP A 51 52.075 20.407 18.350 1.00 20.00 O ATOM 0 H ASP A 51 48.199 19.077 20.451 1.00 20.00 H new ATOM 0 HA ASP A 51 50.398 20.933 20.306 1.00 20.00 H new ATOM 0 HB2 ASP A 51 50.273 18.535 19.397 1.00 20.00 H new ATOM 0 HB3 ASP A 51 49.089 19.096 18.233 1.00 20.00 H new ATOM 697 N ARG A 52 47.568 21.877 19.051 1.00 20.00 N ATOM 698 CA ARG A 52 46.847 22.976 18.391 1.00 20.00 C ATOM 699 C ARG A 52 47.166 24.324 19.067 1.00 20.00 C ATOM 700 O ARG A 52 47.561 24.369 20.234 1.00 20.00 O ATOM 701 CB ARG A 52 45.330 22.670 18.386 1.00 20.00 C ATOM 702 CG ARG A 52 44.631 22.783 17.022 1.00 20.00 C ATOM 703 CD ARG A 52 44.525 24.198 16.433 1.00 20.00 C ATOM 704 NE ARG A 52 45.662 24.538 15.560 1.00 20.00 N ATOM 705 CZ ARG A 52 45.795 25.662 14.834 1.00 20.00 C ATOM 706 NH1 ARG A 52 44.898 26.645 14.897 1.00 20.00 N ATOM 707 NH2 ARG A 52 46.855 25.820 14.045 1.00 20.00 N ATOM 0 H ARG A 52 46.948 21.233 19.542 1.00 20.00 H new ATOM 0 HA ARG A 52 47.178 23.058 17.356 1.00 20.00 H new ATOM 0 HB2 ARG A 52 45.181 21.660 18.767 1.00 20.00 H new ATOM 0 HB3 ARG A 52 44.839 23.349 19.083 1.00 20.00 H new ATOM 0 HG2 ARG A 52 45.165 22.154 16.310 1.00 20.00 H new ATOM 0 HG3 ARG A 52 43.625 22.374 17.117 1.00 20.00 H new ATOM 0 HD2 ARG A 52 43.598 24.282 15.865 1.00 20.00 H new ATOM 0 HD3 ARG A 52 44.467 24.922 17.246 1.00 20.00 H new ATOM 0 HE ARG A 52 46.419 23.857 15.501 1.00 20.00 H new ATOM 0 HH11 ARG A 52 44.085 26.556 15.507 1.00 20.00 H new ATOM 0 HH12 ARG A 52 45.024 27.487 14.335 1.00 20.00 H new ATOM 0 HH21 ARG A 52 47.565 25.089 13.992 1.00 20.00 H new ATOM 0 HH22 ARG A 52 46.958 26.672 13.493 1.00 20.00 H new ATOM 721 N GLN A 53 46.963 25.419 18.325 1.00 20.00 N ATOM 722 CA GLN A 53 47.301 26.787 18.710 1.00 20.00 C ATOM 723 C GLN A 53 46.411 27.381 19.822 1.00 20.00 C ATOM 724 O GLN A 53 46.726 28.448 20.352 1.00 20.00 O ATOM 725 CB GLN A 53 47.249 27.675 17.457 1.00 20.00 C ATOM 726 CG GLN A 53 48.318 28.786 17.449 1.00 20.00 C ATOM 727 CD GLN A 53 49.747 28.293 17.150 1.00 20.00 C ATOM 728 OE1 GLN A 53 49.983 27.117 16.886 1.00 20.00 O ATOM 729 NE2 GLN A 53 50.717 29.204 17.165 1.00 20.00 N ATOM 0 H GLN A 53 46.539 25.369 17.399 1.00 20.00 H new ATOM 0 HA GLN A 53 48.304 26.756 19.137 1.00 20.00 H new ATOM 0 HB2 GLN A 53 47.378 27.051 16.573 1.00 20.00 H new ATOM 0 HB3 GLN A 53 46.261 28.131 17.384 1.00 20.00 H new ATOM 0 HG2 GLN A 53 48.042 29.534 16.705 1.00 20.00 H new ATOM 0 HG3 GLN A 53 48.314 29.284 18.419 1.00 20.00 H new ATOM 0 HE21 GLN A 53 50.501 30.176 17.387 1.00 20.00 H new ATOM 0 HE22 GLN A 53 51.677 28.930 16.955 1.00 20.00 H new ATOM 738 N CYS A 54 45.316 26.693 20.195 1.00 20.00 N ATOM 739 CA CYS A 54 44.432 27.047 21.305 1.00 20.00 C ATOM 740 C CYS A 54 45.185 27.070 22.642 1.00 20.00 C ATOM 741 O CYS A 54 46.186 26.370 22.810 1.00 20.00 O ATOM 742 CB CYS A 54 43.281 26.029 21.350 1.00 20.00 C ATOM 743 SG CYS A 54 41.992 26.291 20.115 1.00 20.00 S ATOM 0 H CYS A 54 45.018 25.847 19.710 1.00 20.00 H new ATOM 0 HA CYS A 54 44.041 28.052 21.145 1.00 20.00 H new ATOM 0 HB2 CYS A 54 43.694 25.029 21.218 1.00 20.00 H new ATOM 0 HB3 CYS A 54 42.827 26.058 22.341 1.00 20.00 H new ATOM 748 N LYS A 55 44.672 27.844 23.602 1.00 20.00 N ATOM 749 CA LYS A 55 45.184 27.943 24.961 1.00 20.00 C ATOM 750 C LYS A 55 44.073 28.371 25.929 1.00 20.00 C ATOM 751 O LYS A 55 43.526 29.469 25.795 1.00 20.00 O ATOM 752 CB LYS A 55 46.333 28.939 24.977 1.00 20.00 C ATOM 753 CG LYS A 55 47.178 28.783 26.253 1.00 20.00 C ATOM 754 CD LYS A 55 48.268 29.850 26.341 1.00 20.00 C ATOM 755 CE LYS A 55 49.173 29.588 27.548 1.00 20.00 C ATOM 756 NZ LYS A 55 50.202 30.631 27.688 1.00 20.00 N ATOM 0 H LYS A 55 43.859 28.439 23.443 1.00 20.00 H new ATOM 0 HA LYS A 55 45.544 26.968 25.290 1.00 20.00 H new ATOM 0 HB2 LYS A 55 46.962 28.789 24.099 1.00 20.00 H new ATOM 0 HB3 LYS A 55 45.940 29.954 24.918 1.00 20.00 H new ATOM 0 HG2 LYS A 55 46.532 28.850 27.128 1.00 20.00 H new ATOM 0 HG3 LYS A 55 47.635 27.793 26.269 1.00 20.00 H new ATOM 0 HD2 LYS A 55 48.861 29.850 25.426 1.00 20.00 H new ATOM 0 HD3 LYS A 55 47.814 30.837 26.426 1.00 20.00 H new ATOM 0 HE2 LYS A 55 48.569 29.547 28.455 1.00 20.00 H new ATOM 0 HE3 LYS A 55 49.652 28.615 27.440 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 50.797 30.423 28.515 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 50.793 30.653 26.833 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 49.744 31.556 27.816 1.00 20.00 H new ATOM 770 N GLU A 56 43.752 27.514 26.913 1.00 20.00 N ATOM 771 CA GLU A 56 42.802 27.789 28.002 1.00 20.00 C ATOM 772 C GLU A 56 43.076 26.846 29.186 1.00 20.00 C ATOM 773 O GLU A 56 44.103 26.171 29.232 1.00 20.00 O ATOM 774 CB GLU A 56 41.362 27.656 27.446 1.00 20.00 C ATOM 775 CG GLU A 56 40.260 28.423 28.200 1.00 20.00 C ATOM 776 CD GLU A 56 40.565 29.913 28.348 1.00 20.00 C ATOM 777 OE1 GLU A 56 40.515 30.620 27.318 1.00 20.00 O ATOM 778 OE2 GLU A 56 40.838 30.330 29.495 1.00 20.00 O ATOM 0 H GLU A 56 44.160 26.581 26.973 1.00 20.00 H new ATOM 0 HA GLU A 56 42.923 28.804 28.380 1.00 20.00 H new ATOM 0 HB2 GLU A 56 41.364 27.993 26.410 1.00 20.00 H new ATOM 0 HB3 GLU A 56 41.096 26.599 27.437 1.00 20.00 H new ATOM 0 HG2 GLU A 56 39.314 28.302 27.672 1.00 20.00 H new ATOM 0 HG3 GLU A 56 40.131 27.984 29.189 1.00 20.00 H new ATOM 785 N LEU A 57 42.153 26.817 30.149 1.00 20.00 N ATOM 786 CA LEU A 57 42.112 25.886 31.264 1.00 20.00 C ATOM 787 C LEU A 57 42.018 24.419 30.822 1.00 20.00 C ATOM 788 O LEU A 57 41.546 24.115 29.725 1.00 20.00 O ATOM 789 CB LEU A 57 40.909 26.270 32.153 1.00 20.00 C ATOM 790 CG LEU A 57 39.507 26.084 31.504 1.00 20.00 C ATOM 791 CD1 LEU A 57 38.849 24.766 31.940 1.00 20.00 C ATOM 792 CD2 LEU A 57 38.584 27.247 31.886 1.00 20.00 C ATOM 0 H LEU A 57 41.377 27.479 30.168 1.00 20.00 H new ATOM 0 HA LEU A 57 43.048 25.963 31.817 1.00 20.00 H new ATOM 0 HB2 LEU A 57 40.949 25.674 33.065 1.00 20.00 H new ATOM 0 HB3 LEU A 57 41.017 27.314 32.449 1.00 20.00 H new ATOM 0 HG LEU A 57 39.654 26.061 30.424 1.00 20.00 H new ATOM 0 HD11 LEU A 57 37.872 24.673 31.466 1.00 20.00 H new ATOM 0 HD12 LEU A 57 39.479 23.928 31.641 1.00 20.00 H new ATOM 0 HD13 LEU A 57 38.729 24.760 33.023 1.00 20.00 H new ATOM 0 HD21 LEU A 57 37.607 27.103 31.425 1.00 20.00 H new ATOM 0 HD22 LEU A 57 38.472 27.282 32.970 1.00 20.00 H new ATOM 0 HD23 LEU A 57 39.016 28.184 31.536 1.00 20.00 H new ATOM 804 N GLN A 58 42.423 23.513 31.726 1.00 20.00 N ATOM 805 CA GLN A 58 42.316 22.061 31.586 1.00 20.00 C ATOM 806 C GLN A 58 41.368 21.421 32.609 1.00 20.00 C ATOM 807 O GLN A 58 41.045 20.248 32.454 1.00 20.00 O ATOM 808 CB GLN A 58 43.719 21.443 31.605 1.00 20.00 C ATOM 809 CG GLN A 58 44.425 21.445 32.965 1.00 20.00 C ATOM 810 CD GLN A 58 45.773 20.722 32.871 1.00 20.00 C ATOM 811 OE1 GLN A 58 45.827 19.533 32.564 1.00 20.00 O ATOM 812 NE2 GLN A 58 46.883 21.418 33.130 1.00 20.00 N ATOM 0 H GLN A 58 42.851 23.789 32.610 1.00 20.00 H new ATOM 0 HA GLN A 58 41.855 21.846 30.622 1.00 20.00 H new ATOM 0 HB2 GLN A 58 43.648 20.413 31.254 1.00 20.00 H new ATOM 0 HB3 GLN A 58 44.343 21.981 30.891 1.00 20.00 H new ATOM 0 HG2 GLN A 58 44.578 22.471 33.300 1.00 20.00 H new ATOM 0 HG3 GLN A 58 43.795 20.957 33.709 1.00 20.00 H new ATOM 0 HE21 GLN A 58 46.819 22.404 33.383 1.00 20.00 H new ATOM 0 HE22 GLN A 58 47.794 20.964 33.075 1.00 20.00 H new ATOM 821 N ALA A 59 40.911 22.169 33.629 1.00 20.00 N ATOM 822 CA ALA A 59 40.062 21.656 34.706 1.00 20.00 C ATOM 823 C ALA A 59 38.758 21.049 34.179 1.00 20.00 C ATOM 824 O ALA A 59 38.484 19.881 34.446 1.00 20.00 O ATOM 825 CB ALA A 59 39.796 22.789 35.706 1.00 20.00 C ATOM 0 H ALA A 59 41.127 23.161 33.725 1.00 20.00 H new ATOM 0 HA ALA A 59 40.585 20.842 35.209 1.00 20.00 H new ATOM 0 HB1 ALA A 59 39.164 22.420 36.514 1.00 20.00 H new ATOM 0 HB2 ALA A 59 40.742 23.141 36.117 1.00 20.00 H new ATOM 0 HB3 ALA A 59 39.292 23.612 35.198 1.00 20.00 H new ATOM 831 N GLU A 60 37.977 21.828 33.423 1.00 20.00 N ATOM 832 CA GLU A 60 36.716 21.386 32.827 1.00 20.00 C ATOM 833 C GLU A 60 36.922 20.686 31.477 1.00 20.00 C ATOM 834 O GLU A 60 36.119 19.832 31.097 1.00 20.00 O ATOM 835 CB GLU A 60 35.774 22.589 32.627 1.00 20.00 C ATOM 836 CG GLU A 60 35.596 23.437 33.894 1.00 20.00 C ATOM 837 CD GLU A 60 34.472 24.456 33.736 1.00 20.00 C ATOM 838 OE1 GLU A 60 33.337 24.122 34.123 1.00 20.00 O ATOM 839 OE2 GLU A 60 34.770 25.550 33.193 1.00 20.00 O ATOM 0 H GLU A 60 38.208 22.797 33.206 1.00 20.00 H new ATOM 0 HA GLU A 60 36.275 20.667 33.518 1.00 20.00 H new ATOM 0 HB2 GLU A 60 36.165 23.219 31.828 1.00 20.00 H new ATOM 0 HB3 GLU A 60 34.799 22.228 32.300 1.00 20.00 H new ATOM 0 HG2 GLU A 60 35.381 22.786 34.741 1.00 20.00 H new ATOM 0 HG3 GLU A 60 36.528 23.955 34.119 1.00 20.00 H new ATOM 846 N SER A 61 38.006 21.045 30.766 1.00 20.00 N ATOM 847 CA SER A 61 38.323 20.526 29.437 1.00 20.00 C ATOM 848 C SER A 61 38.612 19.015 29.444 1.00 20.00 C ATOM 849 O SER A 61 38.316 18.342 28.458 1.00 20.00 O ATOM 850 CB SER A 61 39.545 21.262 28.888 1.00 20.00 C ATOM 851 OG SER A 61 39.662 21.003 27.513 1.00 20.00 O ATOM 0 H SER A 61 38.693 21.715 31.111 1.00 20.00 H new ATOM 0 HA SER A 61 37.449 20.691 28.807 1.00 20.00 H new ATOM 0 HB2 SER A 61 39.447 22.334 29.061 1.00 20.00 H new ATOM 0 HB3 SER A 61 40.445 20.936 29.409 1.00 20.00 H new ATOM 0 HG SER A 61 38.936 21.452 27.033 1.00 20.00 H new ATOM 857 N ALA A 62 39.198 18.506 30.543 1.00 20.00 N ATOM 858 CA ALA A 62 39.776 17.166 30.709 1.00 20.00 C ATOM 859 C ALA A 62 38.799 15.988 30.552 1.00 20.00 C ATOM 860 O ALA A 62 39.232 14.836 30.634 1.00 20.00 O ATOM 861 CB ALA A 62 40.438 17.117 32.085 1.00 20.00 C ATOM 0 H ALA A 62 39.285 19.060 31.395 1.00 20.00 H new ATOM 0 HA ALA A 62 40.485 17.030 29.892 1.00 20.00 H new ATOM 0 HB1 ALA A 62 40.879 16.133 32.242 1.00 20.00 H new ATOM 0 HB2 ALA A 62 41.218 17.877 32.141 1.00 20.00 H new ATOM 0 HB3 ALA A 62 39.691 17.307 32.855 1.00 20.00 H new ATOM 867 N SER A 63 37.508 16.249 30.316 1.00 20.00 N ATOM 868 CA SER A 63 36.499 15.244 29.984 1.00 20.00 C ATOM 869 C SER A 63 36.828 14.435 28.710 1.00 20.00 C ATOM 870 O SER A 63 36.362 13.301 28.592 1.00 20.00 O ATOM 871 CB SER A 63 35.128 15.923 29.831 1.00 20.00 C ATOM 872 OG SER A 63 34.717 16.585 31.037 1.00 20.00 O ATOM 0 H SER A 63 37.128 17.195 30.353 1.00 20.00 H new ATOM 0 HA SER A 63 36.486 14.530 30.807 1.00 20.00 H new ATOM 0 HB2 SER A 63 35.171 16.647 29.017 1.00 20.00 H new ATOM 0 HB3 SER A 63 34.383 15.177 29.555 1.00 20.00 H new ATOM 0 HG SER A 63 33.843 17.005 30.898 1.00 20.00 H new ATOM 878 N CYS A 64 37.659 14.949 27.791 1.00 20.00 N ATOM 879 CA CYS A 64 38.179 14.193 26.639 1.00 20.00 C ATOM 880 C CYS A 64 39.342 13.239 26.993 1.00 20.00 C ATOM 881 O CYS A 64 39.724 12.423 26.153 1.00 20.00 O ATOM 882 CB CYS A 64 38.588 15.154 25.513 1.00 20.00 C ATOM 883 SG CYS A 64 37.258 15.478 24.323 1.00 20.00 S ATOM 0 H CYS A 64 37.993 15.912 27.826 1.00 20.00 H new ATOM 0 HA CYS A 64 37.364 13.554 26.299 1.00 20.00 H new ATOM 0 HB2 CYS A 64 38.911 16.098 25.951 1.00 20.00 H new ATOM 0 HB3 CYS A 64 39.445 14.738 24.984 1.00 20.00 H new ATOM 888 N GLY A 65 39.882 13.299 28.221 1.00 20.00 N ATOM 889 CA GLY A 65 40.870 12.367 28.758 1.00 20.00 C ATOM 890 C GLY A 65 42.302 12.801 28.453 1.00 20.00 C ATOM 891 O GLY A 65 43.010 13.270 29.343 1.00 20.00 O ATOM 0 H GLY A 65 39.628 14.028 28.888 1.00 20.00 H new ATOM 0 HA2 GLY A 65 40.740 12.285 29.837 1.00 20.00 H new ATOM 0 HA3 GLY A 65 40.696 11.376 28.339 1.00 20.00 H new ATOM 895 N LYS A 66 42.713 12.642 27.188 1.00 20.00 N ATOM 896 CA LYS A 66 44.040 12.974 26.661 1.00 20.00 C ATOM 897 C LYS A 66 43.879 13.746 25.348 1.00 20.00 C ATOM 898 O LYS A 66 42.898 13.556 24.624 1.00 20.00 O ATOM 899 CB LYS A 66 44.851 11.684 26.429 1.00 20.00 C ATOM 900 CG LYS A 66 45.054 10.804 27.675 1.00 20.00 C ATOM 901 CD LYS A 66 46.050 11.369 28.703 1.00 20.00 C ATOM 902 CE LYS A 66 47.509 11.338 28.222 1.00 20.00 C ATOM 903 NZ LYS A 66 47.994 9.966 27.990 1.00 20.00 N ATOM 0 H LYS A 66 42.097 12.259 26.470 1.00 20.00 H new ATOM 0 HA LYS A 66 44.577 13.594 27.379 1.00 20.00 H new ATOM 0 HB2 LYS A 66 44.350 11.092 25.663 1.00 20.00 H new ATOM 0 HB3 LYS A 66 45.829 11.955 26.032 1.00 20.00 H new ATOM 0 HG2 LYS A 66 44.090 10.661 28.163 1.00 20.00 H new ATOM 0 HG3 LYS A 66 45.399 9.820 27.357 1.00 20.00 H new ATOM 0 HD2 LYS A 66 45.774 12.397 28.937 1.00 20.00 H new ATOM 0 HD3 LYS A 66 45.968 10.798 29.628 1.00 20.00 H new ATOM 0 HE2 LYS A 66 47.597 11.913 27.300 1.00 20.00 H new ATOM 0 HE3 LYS A 66 48.144 11.825 28.963 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 49.027 9.979 27.866 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 47.751 9.369 28.806 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 47.548 9.580 27.134 1.00 20.00 H new ATOM 917 N GLY A 67 44.861 14.606 25.041 1.00 20.00 N ATOM 918 CA GLY A 67 44.911 15.368 23.798 1.00 20.00 C ATOM 919 C GLY A 67 43.761 16.362 23.638 1.00 20.00 C ATOM 920 O GLY A 67 43.200 16.434 22.548 1.00 20.00 O ATOM 0 H GLY A 67 45.650 14.790 25.661 1.00 20.00 H new ATOM 0 HA2 GLY A 67 45.856 15.909 23.752 1.00 20.00 H new ATOM 0 HA3 GLY A 67 44.900 14.675 22.957 1.00 20.00 H new ATOM 924 N GLN A 68 43.393 17.091 24.701 1.00 20.00 N ATOM 925 CA GLN A 68 42.319 18.081 24.704 1.00 20.00 C ATOM 926 C GLN A 68 42.772 19.428 25.285 1.00 20.00 C ATOM 927 O GLN A 68 43.720 19.479 26.063 1.00 20.00 O ATOM 928 CB GLN A 68 41.106 17.507 25.451 1.00 20.00 C ATOM 929 CG GLN A 68 41.091 17.659 26.987 1.00 20.00 C ATOM 930 CD GLN A 68 42.303 17.088 27.717 1.00 20.00 C ATOM 931 OE1 GLN A 68 42.938 17.769 28.516 1.00 20.00 O ATOM 932 NE2 GLN A 68 42.619 15.820 27.479 1.00 20.00 N ATOM 0 H GLN A 68 43.852 17.001 25.608 1.00 20.00 H new ATOM 0 HA GLN A 68 42.032 18.289 23.673 1.00 20.00 H new ATOM 0 HB2 GLN A 68 40.209 17.982 25.055 1.00 20.00 H new ATOM 0 HB3 GLN A 68 41.035 16.445 25.215 1.00 20.00 H new ATOM 0 HG2 GLN A 68 41.010 18.719 27.229 1.00 20.00 H new ATOM 0 HG3 GLN A 68 40.195 17.174 27.374 1.00 20.00 H new ATOM 0 HE21 GLN A 68 42.075 15.276 26.810 1.00 20.00 H new ATOM 0 HE22 GLN A 68 43.406 15.391 27.966 1.00 20.00 H new ATOM 941 N LYS A 69 42.060 20.511 24.935 1.00 20.00 N ATOM 942 CA LYS A 69 42.208 21.853 25.512 1.00 20.00 C ATOM 943 C LYS A 69 41.016 22.740 25.124 1.00 20.00 C ATOM 944 O LYS A 69 40.653 22.795 23.951 1.00 20.00 O ATOM 945 CB LYS A 69 43.533 22.508 25.075 1.00 20.00 C ATOM 946 CG LYS A 69 43.928 22.286 23.600 1.00 20.00 C ATOM 947 CD LYS A 69 45.060 23.218 23.144 1.00 20.00 C ATOM 948 CE LYS A 69 46.290 23.149 24.058 1.00 20.00 C ATOM 949 NZ LYS A 69 47.449 23.826 23.452 1.00 20.00 N ATOM 0 H LYS A 69 41.339 20.472 24.215 1.00 20.00 H new ATOM 0 HA LYS A 69 42.228 21.750 26.597 1.00 20.00 H new ATOM 0 HB2 LYS A 69 43.466 23.580 25.258 1.00 20.00 H new ATOM 0 HB3 LYS A 69 44.333 22.126 25.709 1.00 20.00 H new ATOM 0 HG2 LYS A 69 44.238 21.250 23.463 1.00 20.00 H new ATOM 0 HG3 LYS A 69 43.055 22.444 22.966 1.00 20.00 H new ATOM 0 HD2 LYS A 69 45.353 22.956 22.127 1.00 20.00 H new ATOM 0 HD3 LYS A 69 44.691 24.243 23.115 1.00 20.00 H new ATOM 0 HE2 LYS A 69 46.058 23.611 25.018 1.00 20.00 H new ATOM 0 HE3 LYS A 69 46.539 22.107 24.257 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 48.124 24.093 24.197 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 47.913 23.184 22.778 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 47.130 24.680 22.952 1.00 20.00 H new ATOM 963 N CYS A 70 40.422 23.459 26.091 1.00 20.00 N ATOM 964 CA CYS A 70 39.309 24.369 25.830 1.00 20.00 C ATOM 965 C CYS A 70 39.763 25.578 24.996 1.00 20.00 C ATOM 966 O CYS A 70 40.951 25.896 24.949 1.00 20.00 O ATOM 967 CB CYS A 70 38.597 24.759 27.142 1.00 20.00 C ATOM 968 SG CYS A 70 36.841 24.315 27.088 1.00 20.00 S ATOM 0 H CYS A 70 40.703 23.422 27.071 1.00 20.00 H new ATOM 0 HA CYS A 70 38.567 23.850 25.224 1.00 20.00 H new ATOM 0 HB2 CYS A 70 39.076 24.257 27.983 1.00 20.00 H new ATOM 0 HB3 CYS A 70 38.699 25.831 27.310 1.00 20.00 H new ATOM 0 HG CYS A 70 36.273 24.654 28.207 1.00 20.00 H new ATOM 973 N CYS A 71 38.817 26.218 24.291 1.00 20.00 N ATOM 974 CA CYS A 71 39.105 27.261 23.300 1.00 20.00 C ATOM 975 C CYS A 71 37.853 28.077 22.913 1.00 20.00 C ATOM 976 O CYS A 71 37.880 28.774 21.899 1.00 20.00 O ATOM 977 CB CYS A 71 39.742 26.578 22.076 1.00 20.00 C ATOM 978 SG CYS A 71 40.766 27.641 21.024 1.00 20.00 S ATOM 0 H CYS A 71 37.821 26.022 24.396 1.00 20.00 H new ATOM 0 HA CYS A 71 39.794 27.988 23.730 1.00 20.00 H new ATOM 0 HB2 CYS A 71 40.354 25.746 22.425 1.00 20.00 H new ATOM 0 HB3 CYS A 71 38.946 26.153 21.465 1.00 20.00 H new ATOM 983 N VAL A 72 36.753 27.967 23.675 1.00 20.00 N ATOM 984 CA VAL A 72 35.431 28.496 23.326 1.00 20.00 C ATOM 985 C VAL A 72 35.473 30.024 23.157 1.00 20.00 C ATOM 986 O VAL A 72 36.128 30.726 23.929 1.00 20.00 O ATOM 987 CB VAL A 72 34.378 28.078 24.381 1.00 20.00 C ATOM 988 CG1 VAL A 72 32.961 28.413 23.891 1.00 20.00 C ATOM 989 CG2 VAL A 72 34.414 26.568 24.674 1.00 20.00 C ATOM 0 H VAL A 72 36.763 27.492 24.578 1.00 20.00 H new ATOM 0 HA VAL A 72 35.137 28.067 22.368 1.00 20.00 H new ATOM 0 HB VAL A 72 34.623 28.630 25.288 1.00 20.00 H new ATOM 0 HG11 VAL A 72 32.234 28.112 24.646 1.00 20.00 H new ATOM 0 HG12 VAL A 72 32.880 29.486 23.717 1.00 20.00 H new ATOM 0 HG13 VAL A 72 32.762 27.879 22.962 1.00 20.00 H new ATOM 0 HG21 VAL A 72 33.658 26.324 25.420 1.00 20.00 H new ATOM 0 HG22 VAL A 72 34.211 26.015 23.757 1.00 20.00 H new ATOM 0 HG23 VAL A 72 35.399 26.294 25.053 1.00 20.00 H new